| gpaw/__init__.py |
disable_dry_run |
4 |
0 |
0 |
100% |
| gpaw/__init__.py |
get_scipy_version |
2 |
0 |
0 |
100% |
| gpaw/__init__.py |
get_libraries |
6 |
0 |
0 |
100% |
| gpaw/__init__.py |
parse_arguments |
28 |
28 |
0 |
0% |
| gpaw/__init__.py |
__getattr__ |
7 |
0 |
0 |
100% |
| gpaw/__init__.py |
__dir__ |
1 |
0 |
0 |
100% |
| gpaw/__init__.py |
_module_attr_error |
1 |
0 |
0 |
100% |
| gpaw/__init__.py |
_lazy_import |
10 |
0 |
0 |
100% |
| gpaw/__init__.py |
_get_gpaw_env_vars |
5 |
0 |
0 |
100% |
| gpaw/__init__.py |
BroadcastImports.__enter__ |
3 |
0 |
0 |
100% |
| gpaw/__init__.py |
BroadcastImports.__exit__ |
1 |
0 |
0 |
100% |
| gpaw/__init__.py |
main |
13 |
13 |
0 |
0% |
| gpaw/__init__.py |
empty |
6 |
0 |
0 |
100% |
| gpaw/__init__.py |
empty_like |
6 |
0 |
0 |
100% |
| gpaw/__init__.py |
restart |
5 |
0 |
0 |
100% |
| gpaw/__init__.py |
read_rc_file |
6 |
2 |
0 |
67% |
| gpaw/__init__.py |
initialize_data_paths |
4 |
0 |
0 |
100% |
| gpaw/__init__.py |
standard_setup_paths |
5 |
2 |
0 |
60% |
| gpaw/__init__.py |
RMM_DIIS |
4 |
4 |
0 |
0% |
| gpaw/__init__.py |
(no function) |
73 |
4 |
0 |
95% |
| gpaw/__main__.py |
(no function) |
3 |
0 |
0 |
100% |
| gpaw/_broadcast_imports.py |
marshal_broadcast |
10 |
10 |
0 |
0% |
| gpaw/_broadcast_imports.py |
BroadcastLoader.__init__ |
2 |
0 |
0 |
100% |
| gpaw/_broadcast_imports.py |
BroadcastLoader.create_module |
1 |
0 |
0 |
100% |
| gpaw/_broadcast_imports.py |
BroadcastLoader.exec_module |
5 |
0 |
0 |
100% |
| gpaw/_broadcast_imports.py |
BroadcastLoader.load_from_cache |
7 |
0 |
0 |
100% |
| gpaw/_broadcast_imports.py |
BroadcastLoader.__str__ |
1 |
1 |
0 |
0% |
| gpaw/_broadcast_imports.py |
BroadcastImporter.__init__ |
2 |
0 |
0 |
100% |
| gpaw/_broadcast_imports.py |
BroadcastImporter.find_spec |
25 |
9 |
0 |
64% |
| gpaw/_broadcast_imports.py |
BroadcastImporter.broadcast |
5 |
3 |
0 |
40% |
| gpaw/_broadcast_imports.py |
BroadcastImporter.enable |
5 |
2 |
0 |
60% |
| gpaw/_broadcast_imports.py |
BroadcastImporter.disable |
8 |
1 |
0 |
88% |
| gpaw/_broadcast_imports.py |
BroadcastImporter.__enter__ |
1 |
0 |
0 |
100% |
| gpaw/_broadcast_imports.py |
BroadcastImporter.__exit__ |
1 |
0 |
0 |
100% |
| gpaw/_broadcast_imports.py |
(no function) |
42 |
9 |
0 |
79% |
| gpaw/ae.py |
HydrogenAllElectronSetup.__init__ |
39 |
0 |
0 |
100% |
| gpaw/ae.py |
HydrogenAllElectronSetup.get_default_nbands |
1 |
0 |
0 |
100% |
| gpaw/ae.py |
HydrogenAllElectronSetup.build |
9 |
2 |
0 |
78% |
| gpaw/ae.py |
HydrogenAllElectronSetup.print_info |
1 |
0 |
0 |
100% |
| gpaw/ae.py |
(no function) |
10 |
0 |
0 |
100% |
| gpaw/ah.py |
AppelbaumHamann.__init__ |
36 |
0 |
0 |
100% |
| gpaw/ah.py |
AppelbaumHamann.build |
7 |
2 |
0 |
71% |
| gpaw/ah.py |
AppelbaumHamann.print_info |
1 |
0 |
0 |
100% |
| gpaw/ah.py |
AppelbaumHamann.calculate_initial_occupation_numbers |
2 |
0 |
0 |
100% |
| gpaw/ah.py |
AppelbaumHamann.initialize_density_matrix |
1 |
0 |
0 |
100% |
| gpaw/ah.py |
AppelbaumHamann.get_default_nbands |
1 |
0 |
0 |
100% |
| gpaw/ah.py |
(no function) |
12 |
0 |
0 |
100% |
| gpaw/analyse/eed.py |
ExteriorElectronDensity.__init__ |
10 |
0 |
0 |
100% |
| gpaw/analyse/eed.py |
ExteriorElectronDensity.get_weight |
2 |
0 |
0 |
100% |
| gpaw/analyse/eed.py |
ExteriorElectronDensity.get_vdWradius |
5 |
2 |
0 |
60% |
| gpaw/analyse/eed.py |
ExteriorElectronDensity.write_mies_weights |
11 |
0 |
0 |
100% |
| gpaw/analyse/eed.py |
(no function) |
11 |
0 |
0 |
100% |
| gpaw/analyse/expandyl.py |
AngularIntegral.__init__ |
16 |
5 |
0 |
69% |
| gpaw/analyse/expandyl.py |
AngularIntegral.initialize |
26 |
0 |
0 |
100% |
| gpaw/analyse/expandyl.py |
AngularIntegral.integrate |
5 |
0 |
0 |
100% |
| gpaw/analyse/expandyl.py |
AngularIntegral.average |
2 |
0 |
0 |
100% |
| gpaw/analyse/expandyl.py |
AngularIntegral.radii |
5 |
1 |
0 |
80% |
| gpaw/analyse/expandyl.py |
ExpandYl.__init__ |
6 |
0 |
0 |
100% |
| gpaw/analyse/expandyl.py |
ExpandYl.expand |
12 |
0 |
0 |
100% |
| gpaw/analyse/expandyl.py |
ExpandYl.expand.abs2 |
1 |
0 |
0 |
100% |
| gpaw/analyse/expandyl.py |
ExpandYl.to_file |
41 |
3 |
0 |
93% |
| gpaw/analyse/expandyl.py |
Vector3d.__init__ |
7 |
1 |
0 |
86% |
| gpaw/analyse/expandyl.py |
Vector3d.__add__ |
4 |
4 |
0 |
0% |
| gpaw/analyse/expandyl.py |
Vector3d.__truediv__ |
1 |
0 |
0 |
100% |
| gpaw/analyse/expandyl.py |
Vector3d.__mul__ |
3 |
1 |
0 |
67% |
| gpaw/analyse/expandyl.py |
Vector3d.__rmul__ |
1 |
1 |
0 |
0% |
| gpaw/analyse/expandyl.py |
Vector3d.__lmul__ |
1 |
1 |
0 |
0% |
| gpaw/analyse/expandyl.py |
Vector3d.__neg__ |
1 |
1 |
0 |
0% |
| gpaw/analyse/expandyl.py |
Vector3d.__str__ |
1 |
0 |
0 |
100% |
| gpaw/analyse/expandyl.py |
Vector3d.__sub__ |
4 |
4 |
0 |
0% |
| gpaw/analyse/expandyl.py |
Vector3d.angle |
5 |
5 |
0 |
0% |
| gpaw/analyse/expandyl.py |
Vector3d.copy |
1 |
1 |
0 |
0% |
| gpaw/analyse/expandyl.py |
Vector3d.distance |
3 |
3 |
0 |
0% |
| gpaw/analyse/expandyl.py |
Vector3d.length |
8 |
8 |
0 |
0% |
| gpaw/analyse/expandyl.py |
Vector3d.norm |
1 |
1 |
0 |
0% |
| gpaw/analyse/expandyl.py |
Vector3d.x |
1 |
1 |
0 |
0% |
| gpaw/analyse/expandyl.py |
Vector3d.y |
1 |
1 |
0 |
0% |
| gpaw/analyse/expandyl.py |
Vector3d.z |
1 |
1 |
0 |
0% |
| gpaw/analyse/expandyl.py |
(no function) |
37 |
0 |
0 |
100% |
| gpaw/analyse/hirshfeld.py |
HirshfeldDensity.__init__ |
7 |
1 |
0 |
86% |
| gpaw/analyse/hirshfeld.py |
HirshfeldDensity.set_positions |
11 |
0 |
0 |
100% |
| gpaw/analyse/hirshfeld.py |
HirshfeldDensity.get_density |
17 |
0 |
0 |
100% |
| gpaw/analyse/hirshfeld.py |
HirshfeldPartitioning.__init__ |
5 |
1 |
0 |
80% |
| gpaw/analyse/hirshfeld.py |
HirshfeldPartitioning.initialize |
10 |
0 |
0 |
100% |
| gpaw/analyse/hirshfeld.py |
HirshfeldPartitioning.get_calculator |
1 |
0 |
0 |
100% |
| gpaw/analyse/hirshfeld.py |
HirshfeldPartitioning.get_effective_volume_ratios |
9 |
0 |
0 |
100% |
| gpaw/analyse/hirshfeld.py |
HirshfeldPartitioning.get_effective_volume_ratio |
10 |
0 |
0 |
100% |
| gpaw/analyse/hirshfeld.py |
HirshfeldPartitioning.get_weight |
3 |
0 |
0 |
100% |
| gpaw/analyse/hirshfeld.py |
HirshfeldPartitioning.get_charges |
11 |
0 |
0 |
100% |
| gpaw/analyse/hirshfeld.py |
(no function) |
23 |
0 |
0 |
100% |
| gpaw/analyse/multipole.py |
Multipole.__init__ |
7 |
0 |
0 |
100% |
| gpaw/analyse/multipole.py |
Multipole.initialize |
13 |
0 |
0 |
100% |
| gpaw/analyse/multipole.py |
Multipole.expand |
6 |
0 |
0 |
100% |
| gpaw/analyse/multipole.py |
Multipole.to_file |
16 |
1 |
0 |
94% |
| gpaw/analyse/multipole.py |
(no function) |
10 |
0 |
0 |
100% |
| gpaw/analyse/observers.py |
Observer.__init__ |
3 |
0 |
0 |
100% |
| gpaw/analyse/observers.py |
Observer.__call__ |
2 |
0 |
0 |
100% |
| gpaw/analyse/observers.py |
Observer.update |
1 |
1 |
0 |
0% |
| gpaw/analyse/observers.py |
WritableObserver.__init__ |
2 |
2 |
0 |
0% |
| gpaw/analyse/observers.py |
WritableObserver.__del__ |
1 |
1 |
0 |
0% |
| gpaw/analyse/observers.py |
(no function) |
7 |
0 |
0 |
100% |
| gpaw/analyse/overlap.py |
Overlap.__init__ |
4 |
0 |
0 |
100% |
| gpaw/analyse/overlap.py |
Overlap.number_of_states |
2 |
0 |
0 |
100% |
| gpaw/analyse/overlap.py |
Overlap.pseudo |
22 |
0 |
0 |
100% |
| gpaw/analyse/overlap.py |
Overlap.full |
23 |
0 |
0 |
100% |
| gpaw/analyse/overlap.py |
(no function) |
7 |
0 |
0 |
100% |
| gpaw/analyse/simple_stm.py |
SimpleStm.__init__ |
18 |
2 |
0 |
89% |
| gpaw/analyse/simple_stm.py |
SimpleStm.calculate_ldos |
42 |
7 |
0 |
83% |
| gpaw/analyse/simple_stm.py |
SimpleStm.add_wf_to_ldos |
6 |
1 |
0 |
83% |
| gpaw/analyse/simple_stm.py |
SimpleStm.write_3D |
12 |
2 |
0 |
83% |
| gpaw/analyse/simple_stm.py |
SimpleStm.read_3D |
16 |
1 |
0 |
94% |
| gpaw/analyse/simple_stm.py |
SimpleStm.current_to_density |
1 |
0 |
0 |
100% |
| gpaw/analyse/simple_stm.py |
SimpleStm.linescan |
1 |
1 |
0 |
0% |
| gpaw/analyse/simple_stm.py |
SimpleStm.density_to_current |
1 |
1 |
0 |
0% |
| gpaw/analyse/simple_stm.py |
SimpleStm.scan_const_current |
1 |
0 |
0 |
100% |
| gpaw/analyse/simple_stm.py |
SimpleStm.scan_const_density |
3 |
0 |
0 |
100% |
| gpaw/analyse/simple_stm.py |
(no function) |
19 |
0 |
0 |
100% |
| gpaw/analyse/vdwradii.py |
vdWradii |
29 |
0 |
0 |
100% |
| gpaw/analyse/vdwradii.py |
vdWradii.get_density |
6 |
0 |
0 |
100% |
| gpaw/analyse/vdwradii.py |
(no function) |
10 |
0 |
0 |
100% |
| gpaw/analyse/wignerseitz.py |
wignerseitz |
12 |
1 |
0 |
92% |
| gpaw/analyse/wignerseitz.py |
WignerSeitz.__init__ |
4 |
0 |
0 |
100% |
| gpaw/analyse/wignerseitz.py |
WignerSeitz.expand |
6 |
6 |
0 |
0% |
| gpaw/analyse/wignerseitz.py |
WignerSeitz.expand_density |
4 |
4 |
0 |
0% |
| gpaw/analyse/wignerseitz.py |
WignerSeitz.expand_wave_function |
8 |
8 |
0 |
0% |
| gpaw/analyse/wignerseitz.py |
WignerSeitz.get_charges |
5 |
5 |
0 |
0% |
| gpaw/analyse/wignerseitz.py |
WignerSeitz.get_effective_volume_ratio |
13 |
0 |
0 |
100% |
| gpaw/analyse/wignerseitz.py |
WignerSeitz.get_effective_volume_ratios |
5 |
0 |
0 |
100% |
| gpaw/analyse/wignerseitz.py |
LDOSbyBand.by_element |
9 |
9 |
0 |
0% |
| gpaw/analyse/wignerseitz.py |
(no function) |
18 |
0 |
0 |
100% |
| gpaw/arraydict.py |
DefaultKeyMapping.a2key |
1 |
0 |
0 |
100% |
| gpaw/arraydict.py |
DefaultKeyMapping.key2a |
1 |
1 |
0 |
0% |
| gpaw/arraydict.py |
TableKeyMapping.__init__ |
2 |
2 |
0 |
0% |
| gpaw/arraydict.py |
TableKeyMapping.key2a |
1 |
1 |
0 |
0% |
| gpaw/arraydict.py |
TableKeyMapping.a2key |
1 |
1 |
0 |
0% |
| gpaw/arraydict.py |
ArrayDict.__init__ |
15 |
1 |
0 |
93% |
| gpaw/arraydict.py |
ArrayDict.copy |
4 |
0 |
0 |
100% |
| gpaw/arraydict.py |
ArrayDict.__getitem__ |
4 |
0 |
0 |
100% |
| gpaw/arraydict.py |
ArrayDict.__setitem__ |
3 |
0 |
0 |
100% |
| gpaw/arraydict.py |
ArrayDict.redistribute |
4 |
0 |
0 |
100% |
| gpaw/arraydict.py |
ArrayDict.redistribute.get_empty |
1 |
1 |
0 |
0% |
| gpaw/arraydict.py |
ArrayDict.check_consistency |
6 |
0 |
0 |
100% |
| gpaw/arraydict.py |
ArrayDict.toarray |
5 |
0 |
0 |
100% |
| gpaw/arraydict.py |
ArrayDict.fromarray |
6 |
0 |
0 |
100% |
| gpaw/arraydict.py |
ArrayDict.redistribute_and_broadcast |
14 |
14 |
0 |
0% |
| gpaw/arraydict.py |
ArrayDict.__iter__ |
1 |
0 |
0 |
100% |
| gpaw/arraydict.py |
ArrayDict.__repr__ |
6 |
0 |
0 |
100% |
| gpaw/arraydict.py |
ArrayDict.__delitem__ |
1 |
1 |
0 |
0% |
| gpaw/arraydict.py |
ArrayDict.__len__ |
1 |
0 |
0 |
100% |
| gpaw/arraydict.py |
(no function) |
23 |
0 |
0 |
100% |
| gpaw/atom/aeatom.py |
_Colors.__init__ |
1 |
0 |
0 |
100% |
| gpaw/atom/aeatom.py |
_Colors.__getitem__ |
1 |
0 |
0 |
100% |
| gpaw/atom/aeatom.py |
_Colors.__iter__ |
1 |
0 |
0 |
100% |
| gpaw/atom/aeatom.py |
GaussianBasis.__init__ |
21 |
0 |
0 |
100% |
| gpaw/atom/aeatom.py |
GaussianBasis.__len__ |
1 |
0 |
0 |
100% |
| gpaw/atom/aeatom.py |
GaussianBasis.expand |
1 |
0 |
0 |
100% |
| gpaw/atom/aeatom.py |
GaussianBasis.calculate_potential_matrix |
3 |
0 |
0 |
100% |
| gpaw/atom/aeatom.py |
coefs |
18 |
0 |
0 |
100% |
| gpaw/atom/aeatom.py |
Channel.__init__ |
9 |
0 |
0 |
100% |
| gpaw/atom/aeatom.py |
Channel.solve |
5 |
0 |
0 |
100% |
| gpaw/atom/aeatom.py |
Channel.solve2 |
45 |
7 |
0 |
84% |
| gpaw/atom/aeatom.py |
Channel.calculate_density |
6 |
0 |
0 |
100% |
| gpaw/atom/aeatom.py |
Channel.calculate_kinetic_energy_density |
6 |
0 |
0 |
100% |
| gpaw/atom/aeatom.py |
Channel.get_eigenvalue_sum |
2 |
0 |
0 |
100% |
| gpaw/atom/aeatom.py |
Channel.integrate_outwards |
31 |
0 |
0 |
100% |
| gpaw/atom/aeatom.py |
Channel.integrate_inwards |
28 |
2 |
0 |
93% |
| gpaw/atom/aeatom.py |
DiracChannel.__init__ |
6 |
0 |
0 |
100% |
| gpaw/atom/aeatom.py |
DiracChannel.solve |
13 |
0 |
0 |
100% |
| gpaw/atom/aeatom.py |
DiracChannel.calculate_density |
6 |
6 |
0 |
0% |
| gpaw/atom/aeatom.py |
AllElectronAtom.__init__ |
30 |
1 |
0 |
97% |
| gpaw/atom/aeatom.py |
AllElectronAtom.log |
1 |
0 |
0 |
100% |
| gpaw/atom/aeatom.py |
AllElectronAtom.initialize_configuration |
20 |
6 |
0 |
70% |
| gpaw/atom/aeatom.py |
AllElectronAtom.add |
12 |
3 |
0 |
75% |
| gpaw/atom/aeatom.py |
AllElectronAtom.initialize |
34 |
1 |
0 |
97% |
| gpaw/atom/aeatom.py |
AllElectronAtom.solve |
6 |
0 |
0 |
100% |
| gpaw/atom/aeatom.py |
AllElectronAtom.calculate_density |
3 |
0 |
0 |
100% |
| gpaw/atom/aeatom.py |
AllElectronAtom.calculate_electrostatic_potential |
6 |
1 |
0 |
83% |
| gpaw/atom/aeatom.py |
AllElectronAtom.calculate_xc_potential |
2 |
0 |
0 |
100% |
| gpaw/atom/aeatom.py |
AllElectronAtom.step |
8 |
0 |
0 |
100% |
| gpaw/atom/aeatom.py |
AllElectronAtom.run |
30 |
3 |
0 |
90% |
| gpaw/atom/aeatom.py |
AllElectronAtom.refine |
2 |
0 |
0 |
100% |
| gpaw/atom/aeatom.py |
AllElectronAtom.summary |
2 |
0 |
0 |
100% |
| gpaw/atom/aeatom.py |
AllElectronAtom.write_states |
17 |
1 |
0 |
94% |
| gpaw/atom/aeatom.py |
AllElectronAtom.write_energies |
7 |
0 |
0 |
100% |
| gpaw/atom/aeatom.py |
AllElectronAtom.get_channel |
8 |
8 |
0 |
0% |
| gpaw/atom/aeatom.py |
AllElectronAtom.get_orbital |
2 |
2 |
0 |
0% |
| gpaw/atom/aeatom.py |
AllElectronAtom.plot_wave_functions |
24 |
24 |
0 |
0% |
| gpaw/atom/aeatom.py |
AllElectronAtom.logarithmic_derivative |
15 |
0 |
0 |
100% |
| gpaw/atom/aeatom.py |
AllElectronAtom.calculate_exx |
28 |
0 |
0 |
100% |
| gpaw/atom/aeatom.py |
CLICommand.add_arguments |
15 |
0 |
0 |
100% |
| gpaw/atom/aeatom.py |
CLICommand.run |
1 |
1 |
0 |
0% |
| gpaw/atom/aeatom.py |
parse_ld_str |
9 |
2 |
0 |
78% |
| gpaw/atom/aeatom.py |
main |
47 |
47 |
0 |
0% |
| gpaw/atom/aeatom.py |
(no function) |
68 |
0 |
0 |
100% |
| gpaw/atom/all_electron.py |
get_r2dvdr |
5 |
0 |
0 |
100% |
| gpaw/atom/all_electron.py |
calculate_hartree |
4 |
0 |
0 |
100% |
| gpaw/atom/all_electron.py |
calculate_xc |
5 |
0 |
0 |
100% |
| gpaw/atom/all_electron.py |
calculate_potentials |
6 |
0 |
0 |
100% |
| gpaw/atom/all_electron.py |
calculate_density |
4 |
0 |
0 |
100% |
| gpaw/atom/all_electron.py |
AllElectron.__init__ |
53 |
2 |
0 |
96% |
| gpaw/atom/all_electron.py |
AllElectron.text |
1 |
0 |
0 |
100% |
| gpaw/atom/all_electron.py |
AllElectron.initialize_wave_functions |
9 |
1 |
0 |
89% |
| gpaw/atom/all_electron.py |
AllElectron.run |
117 |
3 |
0 |
97% |
| gpaw/atom/all_electron.py |
AllElectron.write |
13 |
11 |
0 |
15% |
| gpaw/atom/all_electron.py |
AllElectron.calculate_density |
1 |
0 |
0 |
100% |
| gpaw/atom/all_electron.py |
AllElectron.calculate_kinetic_energy_density |
1 |
0 |
0 |
100% |
| gpaw/atom/all_electron.py |
AllElectron.radial_kinetic_energy_density |
12 |
0 |
0 |
100% |
| gpaw/atom/all_electron.py |
AllElectron.calculate_kinetic_energy_density2 |
20 |
20 |
0 |
0% |
| gpaw/atom/all_electron.py |
AllElectron.solve |
32 |
0 |
0 |
100% |
| gpaw/atom/all_electron.py |
AllElectron.kin |
18 |
0 |
0 |
100% |
| gpaw/atom/all_electron.py |
AllElectron.__del__ |
1 |
0 |
0 |
100% |
| gpaw/atom/all_electron.py |
shoot |
47 |
3 |
0 |
94% |
| gpaw/atom/all_electron.py |
shoot_confined |
49 |
8 |
0 |
84% |
| gpaw/atom/all_electron.py |
ValenceData.__post_init__ |
7 |
0 |
0 |
100% |
| gpaw/atom/all_electron.py |
ValenceData.nj |
1 |
0 |
0 |
100% |
| gpaw/atom/all_electron.py |
ValenceData.calculate_potential_data |
13 |
1 |
0 |
92% |
| gpaw/atom/all_electron.py |
ValenceData.from_setupdata_onthefly_potentials |
2 |
0 |
0 |
100% |
| gpaw/atom/all_electron.py |
ValenceData.from_setupdata_and_potentials |
3 |
0 |
0 |
100% |
| gpaw/atom/all_electron.py |
ValenceData.from_setupdata_and_potentials.multiply_r |
1 |
0 |
0 |
100% |
| gpaw/atom/all_electron.py |
ValenceData.N |
1 |
1 |
0 |
0% |
| gpaw/atom/all_electron.py |
ValenceData.d2gdr2_g |
1 |
0 |
0 |
100% |
| gpaw/atom/all_electron.py |
ValenceData.solve_confined |
28 |
1 |
0 |
96% |
| gpaw/atom/all_electron.py |
ValenceData.get_confinement_potential |
12 |
1 |
0 |
92% |
| gpaw/atom/all_electron.py |
(no function) |
69 |
2 |
0 |
97% |
| gpaw/atom/analyse_setup.py |
analyse |
102 |
102 |
0 |
0% |
| gpaw/atom/analyse_setup.py |
(no function) |
2 |
0 |
0 |
100% |
| gpaw/atom/atompaw.py |
MakeWaveFunctions.__init__ |
1 |
0 |
0 |
100% |
| gpaw/atom/atompaw.py |
MakeWaveFunctions.__call__ |
1 |
0 |
0 |
100% |
| gpaw/atom/atompaw.py |
AtomWaveFunctionsArray.__init__ |
1 |
0 |
0 |
100% |
| gpaw/atom/atompaw.py |
AtomWaveFunctions.initialize |
5 |
0 |
0 |
100% |
| gpaw/atom/atompaw.py |
AtomWaveFunctions.add_to_density_from_k_point |
1 |
0 |
0 |
100% |
| gpaw/atom/atompaw.py |
AtomWaveFunctions.summary |
1 |
0 |
0 |
100% |
| gpaw/atom/atompaw.py |
AtomPoissonSolver.get_description |
1 |
0 |
0 |
100% |
| gpaw/atom/atompaw.py |
AtomPoissonSolver.set_grid_descriptor |
3 |
0 |
0 |
100% |
| gpaw/atom/atompaw.py |
AtomPoissonSolver.initialize |
1 |
1 |
0 |
0% |
| gpaw/atom/atompaw.py |
AtomPoissonSolver.get_stencil |
1 |
1 |
0 |
0% |
| gpaw/atom/atompaw.py |
AtomPoissonSolver.solve |
7 |
0 |
0 |
100% |
| gpaw/atom/atompaw.py |
AtomEigensolver.__init__ |
4 |
0 |
0 |
100% |
| gpaw/atom/atompaw.py |
AtomEigensolver.reset |
1 |
0 |
0 |
100% |
| gpaw/atom/atompaw.py |
AtomEigensolver.initialize |
26 |
0 |
0 |
100% |
| gpaw/atom/atompaw.py |
AtomEigensolver.iterate |
35 |
0 |
0 |
100% |
| gpaw/atom/atompaw.py |
AtomLocalizedFunctionsCollection.__init__ |
4 |
0 |
0 |
100% |
| gpaw/atom/atompaw.py |
AtomLocalizedFunctionsCollection.set_positions |
1 |
0 |
0 |
100% |
| gpaw/atom/atompaw.py |
AtomLocalizedFunctionsCollection.add |
4 |
0 |
0 |
100% |
| gpaw/atom/atompaw.py |
AtomLocalizedFunctionsCollection.integrate |
4 |
0 |
0 |
100% |
| gpaw/atom/atompaw.py |
AtomLocalizedFunctionsCollection.dict |
1 |
1 |
0 |
0% |
| gpaw/atom/atompaw.py |
AtomBasisFunctions.__init__ |
9 |
0 |
0 |
100% |
| gpaw/atom/atompaw.py |
AtomBasisFunctions.set_positions |
1 |
1 |
0 |
0% |
| gpaw/atom/atompaw.py |
AtomBasisFunctions.add_to_density |
4 |
0 |
0 |
100% |
| gpaw/atom/atompaw.py |
AtomGridDescriptor.__init__ |
12 |
0 |
0 |
100% |
| gpaw/atom/atompaw.py |
AtomGridDescriptor.get_ranks_from_positions |
1 |
0 |
0 |
100% |
| gpaw/atom/atompaw.py |
AtomGridDescriptor.refine |
1 |
0 |
0 |
100% |
| gpaw/atom/atompaw.py |
AtomGridDescriptor.get_lfc |
1 |
0 |
0 |
100% |
| gpaw/atom/atompaw.py |
AtomGridDescriptor.integrate |
3 |
0 |
0 |
100% |
| gpaw/atom/atompaw.py |
AtomGridDescriptor.calculate_dipole_moment |
1 |
0 |
0 |
100% |
| gpaw/atom/atompaw.py |
AtomGridDescriptor.symmetrize |
1 |
0 |
0 |
100% |
| gpaw/atom/atompaw.py |
AtomGridDescriptor.get_grid_spacings |
1 |
0 |
0 |
100% |
| gpaw/atom/atompaw.py |
AtomGridDescriptor.get_size_of_global_array |
1 |
0 |
0 |
100% |
| gpaw/atom/atompaw.py |
AtomGridDescriptor.new_descriptor |
1 |
0 |
0 |
100% |
| gpaw/atom/atompaw.py |
AtomGridDescriptor.get_processor_position_from_rank |
1 |
1 |
0 |
0% |
| gpaw/atom/atompaw.py |
AtomOccupations.__init__ |
2 |
0 |
0 |
100% |
| gpaw/atom/atompaw.py |
AtomOccupations._calculate |
8 |
0 |
0 |
100% |
| gpaw/atom/atompaw.py |
AtomPAW.__init__ |
7 |
0 |
0 |
100% |
| gpaw/atom/atompaw.py |
AtomPAW.dry_run |
1 |
1 |
0 |
0% |
| gpaw/atom/atompaw.py |
AtomPAW.state_iter |
11 |
0 |
0 |
100% |
| gpaw/atom/atompaw.py |
AtomPAW.extract_basis_functions |
17 |
0 |
0 |
100% |
| gpaw/atom/atompaw.py |
(no function) |
65 |
0 |
0 |
100% |
| gpaw/atom/basis.py |
make_split_valence_basis_function |
9 |
0 |
0 |
100% |
| gpaw/atom/basis.py |
rsplit_by_norm |
13 |
0 |
0 |
100% |
| gpaw/atom/basis.py |
BasisMaker.__init__ |
7 |
1 |
0 |
86% |
| gpaw/atom/basis.py |
BasisMaker.from_setup_and_generator |
2 |
0 |
0 |
100% |
| gpaw/atom/basis.py |
BasisMaker.from_symbol |
8 |
0 |
0 |
100% |
| gpaw/atom/basis.py |
BasisMaker.smoothify |
18 |
0 |
0 |
100% |
| gpaw/atom/basis.py |
BasisMaker.smoothify.angular_buddies |
1 |
0 |
0 |
100% |
| gpaw/atom/basis.py |
BasisMaker.rcut_by_energy |
25 |
0 |
0 |
100% |
| gpaw/atom/basis.py |
BasisMaker.generate |
165 |
16 |
0 |
90% |
| gpaw/atom/basis.py |
BasisMaker.generate.TeeStream.__init__ |
2 |
0 |
0 |
100% |
| gpaw/atom/basis.py |
BasisMaker.generate.TeeStream.write |
2 |
0 |
0 |
100% |
| gpaw/atom/basis.py |
QuasiGaussian.__init__ |
8 |
0 |
0 |
100% |
| gpaw/atom/basis.py |
QuasiGaussian.__call__ |
6 |
0 |
0 |
100% |
| gpaw/atom/basis.py |
(no function) |
26 |
0 |
0 |
100% |
| gpaw/atom/basisfromfile.py |
read_setup_and_generate_basis |
3 |
0 |
0 |
100% |
| gpaw/atom/basisfromfile.py |
BasisInfo.from_name |
2 |
0 |
0 |
100% |
| gpaw/atom/basisfromfile.py |
parse_j_values |
1 |
1 |
0 |
0% |
| gpaw/atom/basisfromfile.py |
parse_tail_norm |
1 |
0 |
0 |
100% |
| gpaw/atom/basisfromfile.py |
add_common_args |
11 |
0 |
0 |
100% |
| gpaw/atom/basisfromfile.py |
read_setupdata |
3 |
0 |
0 |
100% |
| gpaw/atom/basisfromfile.py |
get_basis_getter |
4 |
0 |
0 |
100% |
| gpaw/atom/basisfromfile.py |
main |
15 |
0 |
0 |
100% |
| gpaw/atom/basisfromfile.py |
CLICommand.add_arguments |
5 |
0 |
0 |
100% |
| gpaw/atom/basisfromfile.py |
(no function) |
30 |
0 |
0 |
100% |
| gpaw/atom/check.py |
check |
71 |
71 |
0 |
0% |
| gpaw/atom/check.py |
solve |
10 |
10 |
0 |
0% |
| gpaw/atom/check.py |
summary |
18 |
18 |
0 |
0% |
| gpaw/atom/check.py |
main |
38 |
38 |
0 |
0% |
| gpaw/atom/check.py |
(no function) |
20 |
1 |
0 |
95% |
| gpaw/atom/configurations.py |
AtomicData.__init__ |
5 |
5 |
0 |
0% |
| gpaw/atom/configurations.py |
core_states |
8 |
0 |
0 |
100% |
| gpaw/atom/configurations.py |
get_occupations |
9 |
9 |
0 |
0% |
| gpaw/atom/configurations.py |
(no function) |
75 |
37 |
0 |
51% |
| gpaw/atom/filter.py |
Filter.__init__ |
21 |
0 |
0 |
100% |
| gpaw/atom/filter.py |
Filter.filter |
39 |
12 |
0 |
69% |
| gpaw/atom/filter.py |
(no function) |
30 |
23 |
0 |
23% |
| gpaw/atom/generator.py |
enumerate_j_ln |
1 |
0 |
0 |
100% |
| gpaw/atom/generator.py |
Generator.__init__ |
1 |
0 |
0 |
100% |
| gpaw/atom/generator.py |
Generator.run |
578 |
94 |
0 |
84% |
| gpaw/atom/generator.py |
Generator.run.f |
9 |
9 |
0 |
0% |
| gpaw/atom/generator.py |
Generator.run.divide_by_r |
6 |
0 |
0 |
100% |
| gpaw/atom/generator.py |
Generator.run.divide_all_by_r |
1 |
0 |
0 |
100% |
| gpaw/atom/generator.py |
Generator.valence_data |
7 |
7 |
0 |
0% |
| gpaw/atom/generator.py |
Generator.valence_data.multiply_r |
1 |
1 |
0 |
0% |
| gpaw/atom/generator.py |
Generator.diagonalize |
44 |
4 |
0 |
91% |
| gpaw/atom/generator.py |
Generator.diagonalize.interpolate |
4 |
0 |
0 |
100% |
| gpaw/atom/generator.py |
Generator.integrate |
19 |
19 |
0 |
0% |
| gpaw/atom/generator.py |
construct_smooth_wavefunction |
12 |
12 |
0 |
0% |
| gpaw/atom/generator.py |
(no function) |
37 |
14 |
0 |
62% |
| gpaw/atom/generator2.py |
get_number_of_electrons |
4 |
4 |
0 |
0% |
| gpaw/atom/generator2.py |
PAWWaves.__init__ |
9 |
0 |
0 |
100% |
| gpaw/atom/generator2.py |
PAWWaves.__len__ |
1 |
0 |
0 |
100% |
| gpaw/atom/generator2.py |
PAWWaves.add |
4 |
0 |
0 |
100% |
| gpaw/atom/generator2.py |
PAWWaves.pseudize |
35 |
0 |
0 |
100% |
| gpaw/atom/generator2.py |
PAWWaves.construct_projectors |
1 |
0 |
0 |
100% |
| gpaw/atom/generator2.py |
PAWWaves.calculate_kinetic_energy_correction |
3 |
1 |
0 |
67% |
| gpaw/atom/generator2.py |
PAWSetupGenerator.__init__ |
48 |
1 |
0 |
98% |
| gpaw/atom/generator2.py |
PAWSetupGenerator.__init__.pseudize |
4 |
2 |
0 |
50% |
| gpaw/atom/generator2.py |
PAWSetupGenerator.construct_shape_function |
18 |
7 |
0 |
61% |
| gpaw/atom/generator2.py |
PAWSetupGenerator.construct_shape_function.spillage |
2 |
0 |
0 |
100% |
| gpaw/atom/generator2.py |
PAWSetupGenerator.construct_shape_function.f |
1 |
0 |
0 |
100% |
| gpaw/atom/generator2.py |
PAWSetupGenerator.log |
1 |
0 |
0 |
100% |
| gpaw/atom/generator2.py |
PAWSetupGenerator.calculate_core_density |
16 |
0 |
0 |
100% |
| gpaw/atom/generator2.py |
PAWSetupGenerator.find_local_potential |
5 |
0 |
0 |
100% |
| gpaw/atom/generator2.py |
PAWSetupGenerator.find_polynomial_potential |
7 |
3 |
0 |
57% |
| gpaw/atom/generator2.py |
PAWSetupGenerator.match_local_potential |
27 |
0 |
0 |
100% |
| gpaw/atom/generator2.py |
PAWSetupGenerator.add_waves |
32 |
2 |
0 |
94% |
| gpaw/atom/generator2.py |
PAWSetupGenerator.pseudize |
14 |
3 |
0 |
79% |
| gpaw/atom/generator2.py |
PAWSetupGenerator.construct_pseudo_core_density |
32 |
8 |
0 |
75% |
| gpaw/atom/generator2.py |
PAWSetupGenerator.calculate_potentials |
7 |
0 |
0 |
100% |
| gpaw/atom/generator2.py |
PAWSetupGenerator.summarize |
10 |
0 |
0 |
100% |
| gpaw/atom/generator2.py |
PAWSetupGenerator.construct_projectors |
3 |
0 |
0 |
100% |
| gpaw/atom/generator2.py |
PAWSetupGenerator.check_all |
34 |
8 |
0 |
76% |
| gpaw/atom/generator2.py |
PAWSetupGenerator.number_of_core_states |
10 |
2 |
0 |
80% |
| gpaw/atom/generator2.py |
PAWSetupGenerator.check |
15 |
0 |
0 |
100% |
| gpaw/atom/generator2.py |
PAWSetupGenerator.test_convergence |
41 |
41 |
0 |
0% |
| gpaw/atom/generator2.py |
PAWSetupGenerator.plot |
9 |
9 |
0 |
0% |
| gpaw/atom/generator2.py |
PAWSetupGenerator.create_basis_set |
57 |
2 |
0 |
96% |
| gpaw/atom/generator2.py |
PAWSetupGenerator.create_basis_function |
48 |
0 |
0 |
100% |
| gpaw/atom/generator2.py |
PAWSetupGenerator.logarithmic_derivative |
36 |
0 |
0 |
100% |
| gpaw/atom/generator2.py |
PAWSetupGenerator.make_paw_setup |
93 |
3 |
0 |
97% |
| gpaw/atom/generator2.py |
PAWSetupGenerator.find_core_states |
11 |
0 |
0 |
100% |
| gpaw/atom/generator2.py |
PAWSetupGenerator.core_core_exchange |
15 |
0 |
0 |
100% |
| gpaw/atom/generator2.py |
PAWSetupGenerator.calculate_exx_integrals |
10 |
0 |
0 |
100% |
| gpaw/atom/generator2.py |
PAWSetupGenerator.calculate_yukawa_integrals |
3 |
3 |
0 |
0% |
| gpaw/atom/generator2.py |
PAWSetupGenerator.calculate_yukawa_integrals.interaction |
1 |
1 |
0 |
0% |
| gpaw/atom/generator2.py |
PAWSetupGenerator.calculate_exx_cv_integrals |
23 |
0 |
0 |
100% |
| gpaw/atom/generator2.py |
get_parameters |
39 |
16 |
0 |
59% |
| gpaw/atom/generator2.py |
generate |
9 |
0 |
0 |
100% |
| gpaw/atom/generator2.py |
generate_all |
16 |
16 |
0 |
0% |
| gpaw/atom/generator2.py |
CLICommand.add_arguments |
25 |
0 |
0 |
100% |
| gpaw/atom/generator2.py |
CLICommand.run |
1 |
0 |
0 |
100% |
| gpaw/atom/generator2.py |
main |
29 |
4 |
0 |
86% |
| gpaw/atom/generator2.py |
plot_log_derivs |
33 |
1 |
0 |
97% |
| gpaw/atom/generator2.py |
(no function) |
73 |
1 |
0 |
99% |
| gpaw/atom/gpaw_basis.py |
get_parser |
9 |
0 |
0 |
100% |
| gpaw/atom/gpaw_basis.py |
main |
6 |
0 |
0 |
100% |
| gpaw/atom/gpaw_basis.py |
main.generate_basis_set |
5 |
0 |
0 |
100% |
| gpaw/atom/gpaw_basis.py |
(no function) |
7 |
0 |
0 |
100% |
| gpaw/atom/gpaw_setup.py |
build_parser |
24 |
24 |
0 |
0% |
| gpaw/atom/gpaw_setup.py |
main |
66 |
66 |
0 |
0% |
| gpaw/atom/gpaw_setup.py |
(no function) |
3 |
0 |
0 |
100% |
| gpaw/atom/optimize.py |
DatasetOptimizer.__init__ |
24 |
24 |
0 |
0% |
| gpaw/atom/optimize.py |
DatasetOptimizer.run |
6 |
6 |
0 |
0% |
| gpaw/atom/optimize.py |
DatasetOptimizer.generate |
34 |
34 |
0 |
0% |
| gpaw/atom/optimize.py |
DatasetOptimizer.parameters |
5 |
5 |
0 |
0% |
| gpaw/atom/optimize.py |
DatasetOptimizer.__call__ |
15 |
15 |
0 |
0% |
| gpaw/atom/optimize.py |
DatasetOptimizer.test_old_paw_data |
2 |
2 |
0 |
0% |
| gpaw/atom/optimize.py |
DatasetOptimizer._test_old_paw_data |
3 |
3 |
0 |
0% |
| gpaw/atom/optimize.py |
DatasetOptimizer.test |
25 |
25 |
0 |
0% |
| gpaw/atom/optimize.py |
DatasetOptimizer.eggbox |
20 |
20 |
0 |
0% |
| gpaw/atom/optimize.py |
DatasetOptimizer.convergence |
30 |
30 |
0 |
0% |
| gpaw/atom/optimize.py |
DatasetOptimizer.convergence.f |
1 |
1 |
0 |
0% |
| gpaw/atom/optimize.py |
DatasetOptimizer.ip |
2 |
2 |
0 |
0% |
| gpaw/atom/optimize.py |
DatasetOptimizer.read |
13 |
13 |
0 |
0% |
| gpaw/atom/optimize.py |
DatasetOptimizer.summary |
3 |
3 |
0 |
0% |
| gpaw/atom/optimize.py |
DatasetOptimizer.best |
13 |
13 |
0 |
0% |
| gpaw/atom/optimize.py |
ip |
34 |
34 |
0 |
0% |
| gpaw/atom/optimize.py |
(no function) |
63 |
24 |
0 |
62% |
| gpaw/atom/plot_dataset.py |
plot_partial_waves |
21 |
0 |
0 |
100% |
| gpaw/atom/plot_dataset.py |
plot_projectors |
17 |
0 |
0 |
100% |
| gpaw/atom/plot_dataset.py |
plot_potential_components |
11 |
0 |
0 |
100% |
| gpaw/atom/plot_dataset.py |
_get_setup_symbol_and_name |
1 |
0 |
0 |
100% |
| gpaw/atom/plot_dataset.py |
_get_gen_symbol_and_name |
2 |
0 |
0 |
100% |
| gpaw/atom/plot_dataset.py |
_get_setup_cutoff |
17 |
6 |
0 |
65% |
| gpaw/atom/plot_dataset.py |
_normalize_with_radial_grid |
4 |
0 |
0 |
100% |
| gpaw/atom/plot_dataset.py |
_get_blend_weights |
1 |
0 |
0 |
100% |
| gpaw/atom/plot_dataset.py |
_get_patch_color |
8 |
3 |
0 |
62% |
| gpaw/atom/plot_dataset.py |
_blend_colors |
4 |
0 |
0 |
100% |
| gpaw/atom/plot_dataset.py |
get_plot_pwaves_params_from_generator |
1 |
0 |
0 |
100% |
| gpaw/atom/plot_dataset.py |
get_plot_pwaves_params_from_setup |
1 |
0 |
0 |
100% |
| gpaw/atom/plot_dataset.py |
get_plot_projs_params_from_generator |
1 |
0 |
0 |
100% |
| gpaw/atom/plot_dataset.py |
get_plot_projs_params_from_setup |
1 |
0 |
0 |
100% |
| gpaw/atom/plot_dataset.py |
get_plot_pot_comps_params_from_generator |
9 |
0 |
0 |
100% |
| gpaw/atom/plot_dataset.py |
get_plot_pot_comps_params_from_setup |
20 |
1 |
0 |
95% |
| gpaw/atom/plot_dataset.py |
reconstruct_paw_gen |
5 |
1 |
0 |
80% |
| gpaw/atom/plot_dataset.py |
read_basis_file |
6 |
6 |
0 |
0% |
| gpaw/atom/plot_dataset.py |
read_setup_file |
11 |
0 |
0 |
100% |
| gpaw/atom/plot_dataset.py |
parse_generator_data |
11 |
2 |
0 |
82% |
| gpaw/atom/plot_dataset.py |
_get_figures_and_axes |
23 |
8 |
0 |
65% |
| gpaw/atom/plot_dataset.py |
plot_dataset |
46 |
1 |
0 |
98% |
| gpaw/atom/plot_dataset.py |
main |
10 |
1 |
0 |
90% |
| gpaw/atom/plot_dataset.py |
CLICommand.add_arguments |
7 |
0 |
0 |
100% |
| gpaw/atom/plot_dataset.py |
(no function) |
49 |
2 |
0 |
96% |
| gpaw/atom/radialgd.py |
radial_grid_descriptor |
18 |
15 |
0 |
17% |
| gpaw/atom/radialgd.py |
fsbt |
10 |
0 |
0 |
100% |
| gpaw/atom/radialgd.py |
RadialGridDescriptor.__init__ |
5 |
0 |
0 |
100% |
| gpaw/atom/radialgd.py |
RadialGridDescriptor.__len__ |
1 |
0 |
0 |
100% |
| gpaw/atom/radialgd.py |
RadialGridDescriptor.new |
3 |
1 |
0 |
67% |
| gpaw/atom/radialgd.py |
RadialGridDescriptor.zeros |
3 |
0 |
0 |
100% |
| gpaw/atom/radialgd.py |
RadialGridDescriptor.empty |
3 |
0 |
0 |
100% |
| gpaw/atom/radialgd.py |
RadialGridDescriptor.integrate |
2 |
0 |
0 |
100% |
| gpaw/atom/radialgd.py |
RadialGridDescriptor.integrate_trapz |
1 |
0 |
0 |
100% |
| gpaw/atom/radialgd.py |
RadialGridDescriptor.yukawa |
18 |
0 |
0 |
100% |
| gpaw/atom/radialgd.py |
RadialGridDescriptor.derivative_spline |
11 |
3 |
0 |
73% |
| gpaw/atom/radialgd.py |
RadialGridDescriptor.derivative |
7 |
0 |
0 |
100% |
| gpaw/atom/radialgd.py |
RadialGridDescriptor.derivative2 |
6 |
0 |
0 |
100% |
| gpaw/atom/radialgd.py |
RadialGridDescriptor.laplace |
8 |
0 |
0 |
100% |
| gpaw/atom/radialgd.py |
RadialGridDescriptor.T |
8 |
8 |
0 |
0% |
| gpaw/atom/radialgd.py |
RadialGridDescriptor.interpolate |
2 |
0 |
0 |
100% |
| gpaw/atom/radialgd.py |
RadialGridDescriptor.fft |
10 |
0 |
0 |
100% |
| gpaw/atom/radialgd.py |
RadialGridDescriptor.filter |
34 |
0 |
0 |
100% |
| gpaw/atom/radialgd.py |
RadialGridDescriptor.poisson |
4 |
0 |
0 |
100% |
| gpaw/atom/radialgd.py |
RadialGridDescriptor.pseudize |
8 |
0 |
0 |
100% |
| gpaw/atom/radialgd.py |
RadialGridDescriptor.cut |
7 |
0 |
0 |
100% |
| gpaw/atom/radialgd.py |
RadialGridDescriptor.pseudize_normalized |
12 |
0 |
0 |
100% |
| gpaw/atom/radialgd.py |
RadialGridDescriptor.pseudize_normalized.f |
4 |
0 |
0 |
100% |
| gpaw/atom/radialgd.py |
RadialGridDescriptor.pseudize_smooth |
11 |
0 |
0 |
100% |
| gpaw/atom/radialgd.py |
RadialGridDescriptor.pseudize_smooth.f |
7 |
0 |
0 |
100% |
| gpaw/atom/radialgd.py |
RadialGridDescriptor.jpseudize |
27 |
27 |
0 |
0% |
| gpaw/atom/radialgd.py |
RadialGridDescriptor.jpseudize.f |
2 |
2 |
0 |
0% |
| gpaw/atom/radialgd.py |
RadialGridDescriptor.plot |
9 |
9 |
0 |
0% |
| gpaw/atom/radialgd.py |
RadialGridDescriptor.floor |
1 |
0 |
0 |
100% |
| gpaw/atom/radialgd.py |
RadialGridDescriptor.round |
1 |
0 |
0 |
100% |
| gpaw/atom/radialgd.py |
RadialGridDescriptor.ceil |
1 |
0 |
0 |
100% |
| gpaw/atom/radialgd.py |
RadialGridDescriptor.spline |
25 |
2 |
0 |
92% |
| gpaw/atom/radialgd.py |
RadialGridDescriptor.get_cutoff |
5 |
0 |
0 |
100% |
| gpaw/atom/radialgd.py |
EquidistantRadialGridDescriptor.__init__ |
1 |
0 |
0 |
100% |
| gpaw/atom/radialgd.py |
EquidistantRadialGridDescriptor.r2g |
1 |
0 |
0 |
100% |
| gpaw/atom/radialgd.py |
EquidistantRadialGridDescriptor.xml |
2 |
0 |
0 |
100% |
| gpaw/atom/radialgd.py |
EquidistantRadialGridDescriptor.spline |
4 |
0 |
0 |
100% |
| gpaw/atom/radialgd.py |
AERadialGridDescriptor.__init__ |
7 |
0 |
0 |
100% |
| gpaw/atom/radialgd.py |
AERadialGridDescriptor.beta |
1 |
0 |
0 |
100% |
| gpaw/atom/radialgd.py |
AERadialGridDescriptor.__repr__ |
1 |
1 |
0 |
0% |
| gpaw/atom/radialgd.py |
AERadialGridDescriptor.r2g |
3 |
0 |
0 |
100% |
| gpaw/atom/radialgd.py |
AERadialGridDescriptor.new |
1 |
0 |
0 |
100% |
| gpaw/atom/radialgd.py |
AERadialGridDescriptor.xml |
3 |
0 |
0 |
100% |
| gpaw/atom/radialgd.py |
AERadialGridDescriptor.d2gdr2 |
1 |
0 |
0 |
100% |
| gpaw/atom/radialgd.py |
AbinitRadialGridDescriptor.__init__ |
6 |
6 |
0 |
0% |
| gpaw/atom/radialgd.py |
AbinitRadialGridDescriptor.r2g |
1 |
1 |
0 |
0% |
| gpaw/atom/radialgd.py |
AbinitRadialGridDescriptor.d2gdr2 |
1 |
1 |
0 |
0% |
| gpaw/atom/radialgd.py |
AbinitRadialGridDescriptor.new |
1 |
1 |
0 |
0% |
| gpaw/atom/radialgd.py |
(no function) |
65 |
0 |
0 |
100% |
| gpaw/atom/shapefunc.py |
shape_functions |
23 |
14 |
0 |
39% |
| gpaw/atom/shapefunc.py |
(no function) |
20 |
16 |
0 |
20% |
| gpaw/atomrotations.py |
SingleAtomRotations.__init__ |
1 |
0 |
0 |
100% |
| gpaw/atomrotations.py |
SingleAtomRotations.new |
9 |
0 |
0 |
100% |
| gpaw/atomrotations.py |
SingleAtomRotations.symmetrize |
5 |
0 |
0 |
100% |
| gpaw/atomrotations.py |
AtomRotations.__init__ |
9 |
0 |
0 |
100% |
| gpaw/atomrotations.py |
AtomRotations.get_R_asii |
1 |
0 |
0 |
100% |
| gpaw/atomrotations.py |
AtomRotations.get_by_a |
1 |
0 |
0 |
100% |
| gpaw/atomrotations.py |
AtomRotations.symmetrize_atomic_density_matrices |
7 |
0 |
0 |
100% |
| gpaw/atomrotations.py |
(no function) |
13 |
0 |
0 |
100% |
| gpaw/band_descriptor.py |
BandDescriptor.__init__ |
16 |
5 |
0 |
69% |
| gpaw/band_descriptor.py |
BandDescriptor.__len__ |
1 |
1 |
0 |
0% |
| gpaw/band_descriptor.py |
BandDescriptor.get_slice |
8 |
2 |
0 |
75% |
| gpaw/band_descriptor.py |
BandDescriptor.get_band_indices |
2 |
2 |
0 |
0% |
| gpaw/band_descriptor.py |
BandDescriptor.get_band_ranks |
6 |
6 |
0 |
0% |
| gpaw/band_descriptor.py |
BandDescriptor.who_has |
4 |
1 |
0 |
75% |
| gpaw/band_descriptor.py |
BandDescriptor.global_index |
5 |
1 |
0 |
80% |
| gpaw/band_descriptor.py |
BandDescriptor.get_size_of_global_array |
1 |
1 |
0 |
0% |
| gpaw/band_descriptor.py |
BandDescriptor.zeros |
1 |
1 |
0 |
0% |
| gpaw/band_descriptor.py |
BandDescriptor.empty |
1 |
0 |
0 |
100% |
| gpaw/band_descriptor.py |
BandDescriptor._new_array |
9 |
2 |
0 |
78% |
| gpaw/band_descriptor.py |
BandDescriptor.collect |
31 |
29 |
0 |
6% |
| gpaw/band_descriptor.py |
BandDescriptor.distribute |
32 |
28 |
0 |
12% |
| gpaw/band_descriptor.py |
BandDescriptor.nasty_non_strided_collect |
20 |
20 |
0 |
0% |
| gpaw/band_descriptor.py |
(no function) |
18 |
0 |
0 |
100% |
| gpaw/basis_data.py |
parse_basis_name |
14 |
1 |
0 |
93% |
| gpaw/basis_data.py |
parse_basis_filename |
10 |
1 |
0 |
90% |
| gpaw/basis_data.py |
get_basis_name |
7 |
0 |
0 |
100% |
| gpaw/basis_data.py |
Basis.find |
1 |
0 |
0 |
100% |
| gpaw/basis_data.py |
Basis.read_path |
1 |
0 |
0 |
100% |
| gpaw/basis_data.py |
Basis.read_xml |
2 |
0 |
0 |
100% |
| gpaw/basis_data.py |
Basis.nao |
1 |
0 |
0 |
100% |
| gpaw/basis_data.py |
Basis.nrio |
1 |
0 |
0 |
100% |
| gpaw/basis_data.py |
Basis.get_grid_descriptor |
1 |
0 |
0 |
100% |
| gpaw/basis_data.py |
Basis.tosplines |
1 |
0 |
0 |
100% |
| gpaw/basis_data.py |
Basis.ritosplines |
1 |
1 |
0 |
0% |
| gpaw/basis_data.py |
Basis.write_xml |
5 |
1 |
0 |
80% |
| gpaw/basis_data.py |
Basis.write_to |
12 |
0 |
0 |
100% |
| gpaw/basis_data.py |
Basis.reduce |
16 |
0 |
0 |
100% |
| gpaw/basis_data.py |
Basis.get_description |
20 |
2 |
0 |
90% |
| gpaw/basis_data.py |
BasisFunction.name |
4 |
4 |
0 |
0% |
| gpaw/basis_data.py |
BasisFunction.__repr__ |
7 |
0 |
0 |
100% |
| gpaw/basis_data.py |
BasisFunction.xml |
4 |
0 |
0 |
100% |
| gpaw/basis_data.py |
BasisSetXMLParser.__init__ |
10 |
0 |
0 |
100% |
| gpaw/basis_data.py |
BasisSetXMLParser.parse |
18 |
0 |
0 |
100% |
| gpaw/basis_data.py |
BasisSetXMLParser.startElement |
16 |
0 |
0 |
100% |
| gpaw/basis_data.py |
BasisSetXMLParser.characters |
2 |
0 |
0 |
100% |
| gpaw/basis_data.py |
BasisSetXMLParser.endElement |
8 |
1 |
0 |
88% |
| gpaw/basis_data.py |
BasisPlotter.__init__ |
12 |
0 |
0 |
100% |
| gpaw/basis_data.py |
BasisPlotter.plot |
50 |
4 |
0 |
92% |
| gpaw/basis_data.py |
CLICommand.add_arguments |
2 |
0 |
0 |
100% |
| gpaw/basis_data.py |
CLICommand.run |
10 |
1 |
0 |
90% |
| gpaw/basis_data.py |
(no function) |
63 |
0 |
0 |
100% |
| gpaw/benchmark/__init__.py |
get_domainband |
7 |
2 |
0 |
71% |
| gpaw/benchmark/__init__.py |
parse_range |
11 |
1 |
0 |
91% |
| gpaw/benchmark/__init__.py |
parse_mem |
2 |
0 |
0 |
100% |
| gpaw/benchmark/__init__.py |
parse_requirement |
7 |
0 |
0 |
100% |
| gpaw/benchmark/__init__.py |
recursive_update |
5 |
5 |
0 |
0% |
| gpaw/benchmark/__init__.py |
parse_parameters |
15 |
15 |
0 |
0% |
| gpaw/benchmark/__init__.py |
list_benchmarks |
6 |
6 |
0 |
0% |
| gpaw/benchmark/__init__.py |
benchmarks_error |
4 |
4 |
0 |
0% |
| gpaw/benchmark/__init__.py |
shell_command |
6 |
6 |
0 |
0% |
| gpaw/benchmark/__init__.py |
gather_system_information |
2 |
2 |
0 |
0% |
| gpaw/benchmark/__init__.py |
parse_name |
15 |
15 |
0 |
0% |
| gpaw/benchmark/__init__.py |
benchmark_atoms_and_calc |
12 |
12 |
0 |
0% |
| gpaw/benchmark/__init__.py |
gs_and_move_atoms |
13 |
13 |
0 |
0% |
| gpaw/benchmark/__init__.py |
Walltime.__init__ |
3 |
3 |
0 |
0% |
| gpaw/benchmark/__init__.py |
Walltime.__enter__ |
2 |
2 |
0 |
0% |
| gpaw/benchmark/__init__.py |
Walltime.__exit__ |
4 |
4 |
0 |
0% |
| gpaw/benchmark/__init__.py |
Walltime.walltime |
1 |
1 |
0 |
0% |
| gpaw/benchmark/__init__.py |
Walltime.todict |
1 |
1 |
0 |
0% |
| gpaw/benchmark/__init__.py |
Benchmark.__init__ |
4 |
4 |
0 |
0% |
| gpaw/benchmark/__init__.py |
Benchmark.todict |
3 |
3 |
0 |
0% |
| gpaw/benchmark/__init__.py |
Benchmark.write_json |
1 |
1 |
0 |
0% |
| gpaw/benchmark/__init__.py |
benchmark_main |
11 |
11 |
0 |
0% |
| gpaw/benchmark/__init__.py |
get_benchmarks |
14 |
14 |
0 |
0% |
| gpaw/benchmark/__init__.py |
sprint |
6 |
6 |
0 |
0% |
| gpaw/benchmark/__init__.py |
mypp |
8 |
8 |
0 |
0% |
| gpaw/benchmark/__init__.py |
load_benchmark |
1 |
1 |
0 |
0% |
| gpaw/benchmark/__init__.py |
view_benchmark |
1 |
1 |
0 |
0% |
| gpaw/benchmark/__init__.py |
parse_git_status |
4 |
4 |
0 |
0% |
| gpaw/benchmark/__init__.py |
parse_processor |
4 |
4 |
0 |
0% |
| gpaw/benchmark/__init__.py |
parse_nvidia_smi |
6 |
6 |
0 |
0% |
| gpaw/benchmark/__init__.py |
parse_nvidia_smi.get_gpu |
4 |
4 |
0 |
0% |
| gpaw/benchmark/__init__.py |
parse_rocm_smi |
3 |
3 |
0 |
0% |
| gpaw/benchmark/__init__.py |
parse_gpu |
4 |
4 |
0 |
0% |
| gpaw/benchmark/__init__.py |
benchmark_from_dict |
5 |
5 |
0 |
0% |
| gpaw/benchmark/__init__.py |
gather_benchmarks |
9 |
9 |
0 |
0% |
| gpaw/benchmark/__init__.py |
(no function) |
63 |
0 |
0 |
100% |
| gpaw/benchmark/__main__.py |
(no function) |
40 |
40 |
0 |
0% |
| gpaw/benchmark/generate_twisted.py |
make_heterostructure |
12 |
12 |
0 |
0% |
| gpaw/benchmark/generate_twisted.py |
(no function) |
3 |
0 |
0 |
100% |
| gpaw/benchmark/niflheim-myqueue.py |
workflow |
8 |
8 |
0 |
0% |
| gpaw/benchmark/niflheim-myqueue.py |
(no function) |
5 |
0 |
0 |
100% |
| gpaw/benchmark/plot.py |
compare |
48 |
48 |
0 |
0% |
| gpaw/benchmark/plot.py |
(no function) |
7 |
1 |
0 |
86% |
| gpaw/benchmark/systems.py |
system_magic_graphene |
7 |
7 |
0 |
0% |
| gpaw/benchmark/systems.py |
system_2188_bl_graphene |
7 |
7 |
0 |
0% |
| gpaw/benchmark/systems.py |
system_6000_bl_graphene |
7 |
7 |
0 |
0% |
| gpaw/benchmark/systems.py |
system_676_bl_graphene |
7 |
7 |
0 |
0% |
| gpaw/benchmark/systems.py |
system_H2 |
4 |
4 |
0 |
0% |
| gpaw/benchmark/systems.py |
system_C60 |
4 |
4 |
0 |
0% |
| gpaw/benchmark/systems.py |
system_diamond |
3 |
3 |
0 |
0% |
| gpaw/benchmark/systems.py |
system_MoS2_tube |
18 |
18 |
0 |
0% |
| gpaw/benchmark/systems.py |
system_magbulk |
4 |
4 |
0 |
0% |
| gpaw/benchmark/systems.py |
system_metalslab |
3 |
3 |
0 |
0% |
| gpaw/benchmark/systems.py |
parse_system |
1 |
1 |
0 |
0% |
| gpaw/benchmark/systems.py |
(no function) |
13 |
0 |
0 |
100% |
| gpaw/berryphase.py |
get_berry_phases |
96 |
21 |
0 |
78% |
| gpaw/berryphase.py |
polarization_phase |
6 |
1 |
0 |
83% |
| gpaw/berryphase.py |
_get_phases |
17 |
1 |
0 |
94% |
| gpaw/berryphase.py |
ionic_phase |
5 |
0 |
0 |
100% |
| gpaw/berryphase.py |
get_electronic_polarization_phase |
11 |
0 |
0 |
100% |
| gpaw/berryphase.py |
get_atomic_polarization_phase |
1 |
0 |
0 |
100% |
| gpaw/berryphase.py |
get_dipole_polarization_phase |
3 |
0 |
0 |
100% |
| gpaw/berryphase.py |
parallel_transport |
121 |
8 |
0 |
93% |
| gpaw/berryphase.py |
parallel_transport.projections |
4 |
0 |
0 |
100% |
| gpaw/berryphase.py |
parallel_transport.wavefunctions |
1 |
0 |
0 |
100% |
| gpaw/berryphase.py |
(no function) |
24 |
0 |
0 |
100% |
| gpaw/bfield.py |
BField.__init__ |
3 |
0 |
0 |
100% |
| gpaw/bfield.py |
BField.get_potential |
1 |
1 |
0 |
0% |
| gpaw/bfield.py |
BField.update_potential_pw |
9 |
0 |
0 |
100% |
| gpaw/bfield.py |
BField.paw_correction |
6 |
0 |
0 |
100% |
| gpaw/bfield.py |
BField.todict |
1 |
0 |
0 |
100% |
| gpaw/bfield.py |
(no function) |
13 |
0 |
0 |
100% |
| gpaw/blacs.py |
BlacsGrid.__init__ |
24 |
6 |
0 |
75% |
| gpaw/blacs.py |
BlacsGrid.coords |
1 |
1 |
0 |
0% |
| gpaw/blacs.py |
BlacsGrid.shape |
1 |
1 |
0 |
0% |
| gpaw/blacs.py |
BlacsGrid.coords2rank |
1 |
1 |
0 |
0% |
| gpaw/blacs.py |
BlacsGrid.rank2coords |
2 |
2 |
0 |
0% |
| gpaw/blacs.py |
BlacsGrid.new_descriptor |
1 |
0 |
0 |
100% |
| gpaw/blacs.py |
BlacsGrid.is_active |
1 |
0 |
0 |
100% |
| gpaw/blacs.py |
BlacsGrid.__bool__ |
1 |
1 |
0 |
0% |
| gpaw/blacs.py |
BlacsGrid.__str__ |
4 |
4 |
0 |
0% |
| gpaw/blacs.py |
BlacsGrid.__del__ |
2 |
0 |
0 |
100% |
| gpaw/blacs.py |
DryRunBlacsGrid00000000.__init__ |
10 |
10 |
0 |
0% |
| gpaw/blacs.py |
BlacsDescriptor.__init__ |
26 |
3 |
0 |
88% |
| gpaw/blacs.py |
BlacsDescriptor.asarray |
2 |
0 |
0 |
100% |
| gpaw/blacs.py |
BlacsDescriptor.__repr__ |
4 |
4 |
0 |
0% |
| gpaw/blacs.py |
BlacsDescriptor.index2grid |
5 |
5 |
0 |
0% |
| gpaw/blacs.py |
BlacsDescriptor.index2rank |
1 |
1 |
0 |
0% |
| gpaw/blacs.py |
BlacsDescriptor.diagonalize_dc |
1 |
0 |
0 |
100% |
| gpaw/blacs.py |
BlacsDescriptor.diagonalize_ex |
1 |
0 |
0 |
100% |
| gpaw/blacs.py |
BlacsDescriptor.diagonalize_mr3 |
1 |
1 |
0 |
0% |
| gpaw/blacs.py |
BlacsDescriptor.general_diagonalize_dc |
1 |
0 |
0 |
100% |
| gpaw/blacs.py |
BlacsDescriptor.general_diagonalize_ex |
1 |
1 |
0 |
0% |
| gpaw/blacs.py |
BlacsDescriptor.general_diagonalize_mr3 |
1 |
1 |
0 |
0% |
| gpaw/blacs.py |
BlacsDescriptor.inverse_cholesky |
1 |
1 |
0 |
0% |
| gpaw/blacs.py |
BlacsDescriptor.my_blocks |
22 |
1 |
0 |
95% |
| gpaw/blacs.py |
BlacsDescriptor.as_serial |
1 |
0 |
0 |
100% |
| gpaw/blacs.py |
BlacsDescriptor.redistribute |
7 |
1 |
0 |
86% |
| gpaw/blacs.py |
BlacsDescriptor.collect_on_master |
2 |
0 |
0 |
100% |
| gpaw/blacs.py |
BlacsDescriptor.distribute_from_master |
2 |
0 |
0 |
100% |
| gpaw/blacs.py |
Redistributor.__init__ |
4 |
0 |
0 |
100% |
| gpaw/blacs.py |
Redistributor.redistribute |
25 |
1 |
0 |
96% |
| gpaw/blacs.py |
parallelprint |
8 |
8 |
0 |
0% |
| gpaw/blacs.py |
(no function) |
45 |
0 |
0 |
100% |
| gpaw/borncharges.py |
born_charges_wf |
30 |
2 |
0 |
93% |
| gpaw/borncharges.py |
is_symmetry_off |
6 |
2 |
0 |
67% |
| gpaw/borncharges.py |
born_charges |
25 |
0 |
0 |
100% |
| gpaw/borncharges.py |
_cartesian_label |
3 |
0 |
0 |
100% |
| gpaw/borncharges.py |
_all_avs |
4 |
0 |
0 |
100% |
| gpaw/borncharges.py |
_all_disp |
7 |
0 |
0 |
100% |
| gpaw/borncharges.py |
displace_atom |
5 |
0 |
0 |
100% |
| gpaw/borncharges.py |
check_distance_to_non_pbc_boundary |
3 |
1 |
0 |
67% |
| gpaw/borncharges.py |
distance_to_non_pbc_boundary |
9 |
1 |
0 |
89% |
| gpaw/borncharges.py |
(no function) |
17 |
0 |
0 |
100% |
| gpaw/bztools.py |
get_lattice_symmetry |
3 |
0 |
0 |
100% |
| gpaw/bztools.py |
find_high_symmetry_monkhorst_pack |
29 |
5 |
0 |
83% |
| gpaw/bztools.py |
unfold_points |
2 |
0 |
0 |
100% |
| gpaw/bztools.py |
unique_rows |
14 |
2 |
0 |
86% |
| gpaw/bztools.py |
get_smallest_Gvecs |
4 |
0 |
0 |
100% |
| gpaw/bztools.py |
get_symmetry_operations |
10 |
1 |
0 |
90% |
| gpaw/bztools.py |
get_ibz_vertices |
31 |
5 |
0 |
84% |
| gpaw/bztools.py |
get_bz |
6 |
1 |
0 |
83% |
| gpaw/bztools.py |
get_reduced_bz |
9 |
1 |
0 |
89% |
| gpaw/bztools.py |
expand_ibz |
44 |
2 |
0 |
95% |
| gpaw/bztools.py |
tetrahedron_volume |
1 |
0 |
0 |
100% |
| gpaw/bztools.py |
convex_hull_volume |
5 |
0 |
0 |
100% |
| gpaw/bztools.py |
(no function) |
25 |
2 |
0 |
92% |
| gpaw/calcinfo.py |
CalcInfo.update_params |
7 |
1 |
0 |
86% |
| gpaw/calcinfo.py |
CalcInfo.dft_calculation |
1 |
0 |
0 |
100% |
| gpaw/calcinfo.py |
CalcInfo.ase_calculator |
1 |
0 |
0 |
100% |
| gpaw/calcinfo.py |
get_calculation_info |
9 |
1 |
0 |
89% |
| gpaw/calcinfo.py |
(no function) |
30 |
0 |
0 |
100% |
| gpaw/calculator.py |
GPAW.__init__ |
28 |
4 |
0 |
86% |
| gpaw/calculator.py |
GPAW.new |
13 |
2 |
0 |
85% |
| gpaw/calculator.py |
GPAW.fixed_density |
32 |
1 |
0 |
97% |
| gpaw/calculator.py |
GPAW.__enter__ |
1 |
1 |
0 |
0% |
| gpaw/calculator.py |
GPAW.__exit__ |
1 |
1 |
0 |
0% |
| gpaw/calculator.py |
GPAW.__del__ |
1 |
0 |
0 |
100% |
| gpaw/calculator.py |
GPAW.close |
4 |
0 |
0 |
100% |
| gpaw/calculator.py |
GPAW.write |
5 |
0 |
0 |
100% |
| gpaw/calculator.py |
GPAW._write |
10 |
0 |
0 |
100% |
| gpaw/calculator.py |
GPAW._set_atoms |
5 |
0 |
0 |
100% |
| gpaw/calculator.py |
GPAW.read |
40 |
3 |
0 |
92% |
| gpaw/calculator.py |
GPAW.check_state |
7 |
0 |
0 |
100% |
| gpaw/calculator.py |
GPAW.calculate |
2 |
0 |
0 |
100% |
| gpaw/calculator.py |
GPAW.icalculate |
60 |
2 |
0 |
97% |
| gpaw/calculator.py |
GPAW._print_gapinfo |
11 |
3 |
0 |
73% |
| gpaw/calculator.py |
GPAW.summary |
5 |
0 |
0 |
100% |
| gpaw/calculator.py |
GPAW.set |
67 |
11 |
0 |
84% |
| gpaw/calculator.py |
GPAW.initialize_positions |
10 |
0 |
0 |
100% |
| gpaw/calculator.py |
GPAW.set_positions |
15 |
0 |
0 |
100% |
| gpaw/calculator.py |
GPAW.initialize |
208 |
22 |
0 |
89% |
| gpaw/calculator.py |
GPAW.create_setups |
12 |
0 |
0 |
100% |
| gpaw/calculator.py |
GPAW.create_setups.filter |
3 |
0 |
0 |
100% |
| gpaw/calculator.py |
GPAW.create_grid_descriptor |
1 |
0 |
0 |
100% |
| gpaw/calculator.py |
GPAW.create_occupations |
21 |
0 |
0 |
100% |
| gpaw/calculator.py |
GPAW.create_scf |
2 |
0 |
0 |
100% |
| gpaw/calculator.py |
GPAW.create_symmetry |
20 |
5 |
0 |
75% |
| gpaw/calculator.py |
GPAW.create_eigensolver |
12 |
0 |
0 |
100% |
| gpaw/calculator.py |
GPAW.create_density |
17 |
0 |
0 |
100% |
| gpaw/calculator.py |
GPAW.create_hamiltonian |
20 |
3 |
0 |
85% |
| gpaw/calculator.py |
GPAW.create_kpoint_descriptor |
16 |
0 |
0 |
100% |
| gpaw/calculator.py |
GPAW.create_wave_functions |
65 |
4 |
0 |
94% |
| gpaw/calculator.py |
GPAW.dry_run |
6 |
6 |
0 |
0% |
| gpaw/calculator.py |
GPAW.get_atomic_electrostatic_potentials |
12 |
0 |
0 |
100% |
| gpaw/calculator.py |
GPAW.linearize_to_xc |
5 |
0 |
0 |
100% |
| gpaw/calculator.py |
GPAW.attach |
11 |
1 |
0 |
91% |
| gpaw/calculator.py |
GPAW.call_observers |
16 |
6 |
0 |
62% |
| gpaw/calculator.py |
GPAW.get_reference_energy |
1 |
0 |
0 |
100% |
| gpaw/calculator.py |
GPAW.get_homo_lumo |
1 |
0 |
0 |
100% |
| gpaw/calculator.py |
GPAW.estimate_memory |
2 |
0 |
0 |
100% |
| gpaw/calculator.py |
GPAW.print_memory_estimate |
16 |
0 |
0 |
100% |
| gpaw/calculator.py |
GPAW.converge_wave_functions |
14 |
1 |
0 |
93% |
| gpaw/calculator.py |
GPAW.diagonalize_full_hamiltonian |
4 |
1 |
0 |
75% |
| gpaw/calculator.py |
GPAW.get_number_of_bands |
1 |
0 |
0 |
100% |
| gpaw/calculator.py |
GPAW.get_xc_functional |
4 |
1 |
0 |
75% |
| gpaw/calculator.py |
GPAW.get_number_of_spins |
1 |
0 |
0 |
100% |
| gpaw/calculator.py |
GPAW.get_spin_polarized |
1 |
1 |
0 |
0% |
| gpaw/calculator.py |
GPAW.get_bz_k_points |
1 |
0 |
0 |
100% |
| gpaw/calculator.py |
GPAW.get_ibz_k_points |
1 |
0 |
0 |
100% |
| gpaw/calculator.py |
GPAW.get_bz_to_ibz_map |
1 |
1 |
0 |
0% |
| gpaw/calculator.py |
GPAW.get_k_point_weights |
1 |
1 |
0 |
0% |
| gpaw/calculator.py |
GPAW.get_pseudo_density |
22 |
6 |
0 |
73% |
| gpaw/calculator.py |
GPAW.get_effective_potential |
6 |
1 |
0 |
83% |
| gpaw/calculator.py |
GPAW.get_electrostatic_potential |
6 |
0 |
0 |
100% |
| gpaw/calculator.py |
GPAW.get_pseudo_density_corrections |
3 |
3 |
0 |
0% |
| gpaw/calculator.py |
GPAW.get_all_electron_density |
15 |
2 |
0 |
87% |
| gpaw/calculator.py |
GPAW.get_fermi_level |
4 |
1 |
0 |
75% |
| gpaw/calculator.py |
GPAW.get_fermi_levels |
4 |
0 |
0 |
100% |
| gpaw/calculator.py |
GPAW.get_wigner_seitz_densities |
9 |
0 |
0 |
100% |
| gpaw/calculator.py |
GPAW.get_dos |
13 |
0 |
0 |
100% |
| gpaw/calculator.py |
GPAW.get_wigner_seitz_ldos |
5 |
5 |
0 |
0% |
| gpaw/calculator.py |
GPAW.get_orbital_ldos |
7 |
7 |
0 |
0% |
| gpaw/calculator.py |
GPAW.get_lcao_dos |
16 |
16 |
0 |
0% |
| gpaw/calculator.py |
GPAW.get_all_electron_ldos |
7 |
7 |
0 |
0% |
| gpaw/calculator.py |
GPAW.get_pseudo_wave_function |
16 |
4 |
0 |
75% |
| gpaw/calculator.py |
GPAW.get_eigenvalues |
7 |
1 |
0 |
86% |
| gpaw/calculator.py |
GPAW.get_occupation_numbers |
9 |
1 |
0 |
89% |
| gpaw/calculator.py |
GPAW.get_xc_difference |
8 |
0 |
0 |
100% |
| gpaw/calculator.py |
GPAW.initial_wannier |
10 |
0 |
0 |
100% |
| gpaw/calculator.py |
GPAW.get_wannier_localization_matrix |
3 |
0 |
0 |
100% |
| gpaw/calculator.py |
GPAW.get_wannier_integrals |
13 |
1 |
0 |
92% |
| gpaw/calculator.py |
GPAW.add_wannier_correction |
10 |
1 |
0 |
90% |
| gpaw/calculator.py |
GPAW.get_projections |
50 |
1 |
0 |
98% |
| gpaw/calculator.py |
GPAW.get_realspace_wfs |
7 |
0 |
0 |
100% |
| gpaw/calculator.py |
GPAW.get_number_of_grid_points |
1 |
0 |
0 |
100% |
| gpaw/calculator.py |
GPAW.get_number_of_iterations |
1 |
0 |
0 |
100% |
| gpaw/calculator.py |
GPAW.get_number_of_electrons |
1 |
0 |
0 |
100% |
| gpaw/calculator.py |
GPAW.get_electrostatic_corrections |
6 |
0 |
0 |
100% |
| gpaw/calculator.py |
GPAW.get_nonselfconsistent_energies |
13 |
1 |
0 |
92% |
| gpaw/calculator.py |
GPAW.embed |
3 |
3 |
0 |
0% |
| gpaw/calculator.py |
GPAW.dos |
1 |
0 |
0 |
100% |
| gpaw/calculator.py |
GPAW.gs_adapter |
2 |
0 |
0 |
100% |
| gpaw/calculator.py |
(no function) |
132 |
0 |
0 |
100% |
| gpaw/cdft/cdft.py |
CDFT.__init__ |
87 |
29 |
0 |
67% |
| gpaw/cdft/cdft.py |
CDFT.__del__ |
1 |
0 |
0 |
100% |
| gpaw/cdft/cdft.py |
CDFT.calculate |
25 |
1 |
0 |
96% |
| gpaw/cdft/cdft.py |
CDFT.calculate.f |
51 |
8 |
0 |
84% |
| gpaw/cdft/cdft.py |
CDFT.get_weight |
9 |
9 |
0 |
0% |
| gpaw/cdft/cdft.py |
CDFT.jacobian |
3 |
0 |
0 |
100% |
| gpaw/cdft/cdft.py |
CDFT.cdft_free_energy |
1 |
0 |
0 |
100% |
| gpaw/cdft/cdft.py |
CDFT.dft_energy |
1 |
0 |
0 |
100% |
| gpaw/cdft/cdft.py |
CDFT.get_lagrangians |
1 |
0 |
0 |
100% |
| gpaw/cdft/cdft.py |
CDFT.get_constraints |
1 |
0 |
0 |
100% |
| gpaw/cdft/cdft.py |
CDFT.get_grid |
1 |
1 |
0 |
0% |
| gpaw/cdft/cdft.py |
CDFT.get_all_electron_density |
1 |
1 |
0 |
0% |
| gpaw/cdft/cdft.py |
CDFT.get_atomic_density_correction |
9 |
1 |
0 |
89% |
| gpaw/cdft/cdft.py |
CDFT.get_energy_correction |
17 |
6 |
0 |
65% |
| gpaw/cdft/cdft.py |
CDFT.get_number_of_electrons_on_atoms |
12 |
12 |
0 |
0% |
| gpaw/cdft/cdft.py |
CDFT.write |
1 |
1 |
0 |
0% |
| gpaw/cdft/cdft.py |
CDFT.save_parameters |
8 |
8 |
0 |
0% |
| gpaw/cdft/cdft.py |
CDFT.get_weight_function_on_coarse_grid |
8 |
8 |
0 |
0% |
| gpaw/cdft/cdft.py |
CDFT.get_coarse_grid |
5 |
5 |
0 |
0% |
| gpaw/cdft/cdft.py |
CDFT.n_spin_regions |
2 |
0 |
0 |
100% |
| gpaw/cdft/cdft.py |
CDFT.n_charge_regions |
4 |
1 |
0 |
75% |
| gpaw/cdft/cdft.py |
CDFT.n_regions |
4 |
4 |
0 |
0% |
| gpaw/cdft/cdft.py |
gaussians |
11 |
11 |
0 |
0% |
| gpaw/cdft/cdft.py |
CDFTPotential.__init__ |
15 |
0 |
0 |
100% |
| gpaw/cdft/cdft.py |
CDFTPotential.__str__ |
2 |
0 |
0 |
100% |
| gpaw/cdft/cdft.py |
CDFTPotential.get_name |
1 |
0 |
0 |
100% |
| gpaw/cdft/cdft.py |
CDFTPotential.update_ae_density |
1 |
1 |
0 |
0% |
| gpaw/cdft/cdft.py |
CDFTPotential.get_atoms |
1 |
1 |
0 |
0% |
| gpaw/cdft/cdft.py |
CDFTPotential.get_ae_density |
1 |
1 |
0 |
0% |
| gpaw/cdft/cdft.py |
CDFTPotential.get_vi |
1 |
0 |
0 |
100% |
| gpaw/cdft/cdft.py |
CDFTPotential.get_constraints |
1 |
0 |
0 |
100% |
| gpaw/cdft/cdft.py |
CDFTPotential.set_levels |
3 |
0 |
0 |
100% |
| gpaw/cdft/cdft.py |
CDFTPotential.set_forces |
1 |
0 |
0 |
100% |
| gpaw/cdft/cdft.py |
CDFTPotential.get_cdft_forces |
1 |
0 |
0 |
100% |
| gpaw/cdft/cdft.py |
CDFTPotential.spin_polarized_potential |
1 |
1 |
0 |
0% |
| gpaw/cdft/cdft.py |
CDFTPotential.get_w |
1 |
0 |
0 |
100% |
| gpaw/cdft/cdft.py |
CDFTPotential.set_positions_and_atomic_numbers |
4 |
0 |
0 |
100% |
| gpaw/cdft/cdft.py |
CDFTPotential.initialize_partitioning |
16 |
2 |
0 |
88% |
| gpaw/cdft/cdft.py |
CDFTPotential.calculate_potential |
11 |
0 |
0 |
100% |
| gpaw/cdft/cdft.py |
CDFTPotential.write |
1 |
1 |
0 |
0% |
| gpaw/cdft/cdft.py |
CDFTPotential.read |
1 |
1 |
0 |
0% |
| gpaw/cdft/cdft.py |
CDFTPotential.todict |
1 |
0 |
0 |
100% |
| gpaw/cdft/cdft.py |
CDFTPotential.get_atomic_hamiltonians |
12 |
2 |
0 |
83% |
| gpaw/cdft/cdft.py |
CDFTPotential.get_cdft_external_energy |
22 |
4 |
0 |
82% |
| gpaw/cdft/cdft.py |
WeightFunc.__init__ |
24 |
2 |
0 |
92% |
| gpaw/cdft/cdft.py |
WeightFunc.get_Rc_and_mu |
1 |
0 |
0 |
100% |
| gpaw/cdft/cdft.py |
WeightFunc.normalized_gaussian |
3 |
0 |
0 |
100% |
| gpaw/cdft/cdft.py |
WeightFunc.get_distance_vectors |
4 |
0 |
0 |
100% |
| gpaw/cdft/cdft.py |
WeightFunc.construct_total_density |
8 |
0 |
0 |
100% |
| gpaw/cdft/cdft.py |
WeightFunc.construct_weight_function |
5 |
0 |
0 |
100% |
| gpaw/cdft/cdft.py |
WeightFunc.get_cdft_forces2 |
20 |
2 |
0 |
90% |
| gpaw/cdft/cdft.py |
WeightFunc.get_fd_derivatives |
13 |
0 |
0 |
100% |
| gpaw/cdft/cdft.py |
WeightFunc.get_derivative_prefactor |
20 |
9 |
0 |
55% |
| gpaw/cdft/cdft.py |
WeightFunc.get_analytical_derivates |
17 |
0 |
0 |
100% |
| gpaw/cdft/cdft.py |
get_ks_energy_wo_external |
1 |
0 |
0 |
100% |
| gpaw/cdft/cdft.py |
get_all_weight_functions |
13 |
5 |
0 |
62% |
| gpaw/cdft/cdft.py |
get_promolecular_constraints |
32 |
32 |
0 |
0% |
| gpaw/cdft/cdft.py |
(no function) |
73 |
0 |
0 |
100% |
| gpaw/cdft/cdft_coupling.py |
CouplingParameters.__init__ |
122 |
25 |
0 |
80% |
| gpaw/cdft/cdft_coupling.py |
CouplingParameters.get_coupling_term |
13 |
3 |
0 |
77% |
| gpaw/cdft/cdft_coupling.py |
CouplingParameters.get_coupling_term_from_lowdin |
5 |
5 |
0 |
0% |
| gpaw/cdft/cdft_coupling.py |
CouplingParameters.lowdin_orthogonalize_cdft_hamiltonian |
5 |
5 |
0 |
0% |
| gpaw/cdft/cdft_coupling.py |
CouplingParameters.get_migliore_coupling |
21 |
21 |
0 |
0% |
| gpaw/cdft/cdft_coupling.py |
CouplingParameters.make_hamiltonian_matrix |
18 |
2 |
0 |
89% |
| gpaw/cdft/cdft_coupling.py |
CouplingParameters.get_ae_pair_weight_matrix |
70 |
70 |
0 |
0% |
| gpaw/cdft/cdft_coupling.py |
CouplingParameters.get_pair_weight_matrix |
44 |
5 |
0 |
89% |
| gpaw/cdft/cdft_coupling.py |
CouplingParameters.get_weight_matrix |
20 |
2 |
0 |
90% |
| gpaw/cdft/cdft_coupling.py |
CouplingParameters.get_ae_pair_density_matrix |
40 |
40 |
0 |
0% |
| gpaw/cdft/cdft_coupling.py |
CouplingParameters.get_pair_density_matrix |
30 |
5 |
0 |
83% |
| gpaw/cdft/cdft_coupling.py |
CouplingParameters.get_overlap_matrix |
20 |
3 |
0 |
85% |
| gpaw/cdft/cdft_coupling.py |
CouplingParameters.get_migliore_wf_overlaps |
8 |
8 |
0 |
0% |
| gpaw/cdft/cdft_coupling.py |
CouplingParameters.get_matrix_element |
22 |
0 |
0 |
100% |
| gpaw/cdft/cdft_coupling.py |
CouplingParameters.get_reorganization_energy |
6 |
6 |
0 |
0% |
| gpaw/cdft/cdft_coupling.py |
CouplingParameters.get_energy_gap |
6 |
6 |
0 |
0% |
| gpaw/cdft/cdft_coupling.py |
CouplingParameters.get_landau_zener |
9 |
9 |
0 |
0% |
| gpaw/cdft/cdft_coupling.py |
CouplingParameters.get_marcus_rate |
10 |
10 |
0 |
0% |
| gpaw/cdft/cdft_coupling.py |
CouplingParameters.get_marcus_barrier |
6 |
6 |
0 |
0% |
| gpaw/cdft/cdft_coupling.py |
CouplingParameters.get_n_occupied_bands |
10 |
0 |
0 |
100% |
| gpaw/cdft/cdft_coupling.py |
CouplingParameters.check_bands |
8 |
4 |
0 |
50% |
| gpaw/cdft/cdft_coupling.py |
CouplingParameters.check_spin_and_occupations |
5 |
0 |
0 |
100% |
| gpaw/cdft/cdft_coupling.py |
(no function) |
34 |
0 |
0 |
100% |
| gpaw/cgpaw.py |
__getattr__ |
1 |
0 |
0 |
100% |
| gpaw/cgpaw.py |
(no function) |
7 |
0 |
0 |
100% |
| gpaw/cli/complete.py |
match |
1 |
1 |
0 |
0% |
| gpaw/cli/complete.py |
complete |
18 |
18 |
0 |
0% |
| gpaw/cli/complete.py |
(no function) |
14 |
7 |
0 |
50% |
| gpaw/cli/completion.py |
(no function) |
8 |
1 |
0 |
88% |
| gpaw/cli/dos.py |
CLICommand.add_arguments |
10 |
0 |
0 |
100% |
| gpaw/cli/dos.py |
CLICommand.run |
5 |
0 |
0 |
100% |
| gpaw/cli/dos.py |
parse_projection_string |
16 |
3 |
0 |
81% |
| gpaw/cli/dos.py |
parse_lm_string |
10 |
0 |
0 |
100% |
| gpaw/cli/dos.py |
dos |
35 |
5 |
0 |
86% |
| gpaw/cli/dos.py |
(no function) |
15 |
0 |
0 |
100% |
| gpaw/cli/gpw.py |
CLICommand.add_arguments |
2 |
0 |
0 |
100% |
| gpaw/cli/gpw.py |
CLICommand.run |
10 |
10 |
0 |
0% |
| gpaw/cli/gpw.py |
(no function) |
6 |
0 |
0 |
100% |
| gpaw/cli/info.py |
highlight |
7 |
7 |
0 |
0% |
| gpaw/cli/info.py |
warn |
2 |
2 |
0 |
0% |
| gpaw/cli/info.py |
info |
72 |
72 |
0 |
0% |
| gpaw/cli/info.py |
CLICommand.add_arguments |
1 |
0 |
0 |
100% |
| gpaw/cli/info.py |
CLICommand.run |
1 |
1 |
0 |
0% |
| gpaw/cli/info.py |
(no function) |
24 |
0 |
0 |
100% |
| gpaw/cli/install_data.py |
urlopen_nocertcheck |
4 |
4 |
0 |
0% |
| gpaw/cli/install_data.py |
CLICommand.add_arguments |
13 |
0 |
0 |
100% |
| gpaw/cli/install_data.py |
CLICommand.run |
1 |
1 |
0 |
0% |
| gpaw/cli/install_data.py |
main |
100 |
100 |
0 |
0% |
| gpaw/cli/install_data.py |
main.print_blurb |
5 |
5 |
0 |
0% |
| gpaw/cli/install_data.py |
main.print_urls |
6 |
6 |
0 |
0% |
| gpaw/cli/install_data.py |
main.print_all_urls |
7 |
7 |
0 |
0% |
| gpaw/cli/install_data.py |
get_urls |
20 |
20 |
0 |
0% |
| gpaw/cli/install_data.py |
print_setups_info |
13 |
13 |
0 |
0% |
| gpaw/cli/install_data.py |
get_runs |
13 |
0 |
0 |
100% |
| gpaw/cli/install_data.py |
split_into_chunks |
1 |
0 |
0 |
100% |
| gpaw/cli/install_data.py |
match_version |
20 |
2 |
0 |
90% |
| gpaw/cli/install_data.py |
(no function) |
25 |
0 |
0 |
100% |
| gpaw/cli/main.py |
hook |
31 |
23 |
0 |
26% |
| gpaw/cli/main.py |
main |
7 |
0 |
0 |
100% |
| gpaw/cli/main.py |
(no function) |
6 |
0 |
0 |
100% |
| gpaw/cli/python.py |
CLICommand.add_arguments |
6 |
0 |
0 |
100% |
| gpaw/cli/python.py |
CLICommand.run |
13 |
13 |
0 |
0% |
| gpaw/cli/python.py |
(no function) |
8 |
0 |
0 |
100% |
| gpaw/cli/quick.py |
quick |
4 |
4 |
0 |
0% |
| gpaw/cli/quick.py |
(no function) |
1 |
0 |
0 |
100% |
| gpaw/cli/run.py |
GPAWRunner.__init__ |
2 |
2 |
0 |
0% |
| gpaw/cli/run.py |
GPAWRunner.parse |
2 |
2 |
0 |
0% |
| gpaw/cli/run.py |
GPAWRunner.set_calculator |
4 |
4 |
0 |
0% |
| gpaw/cli/run.py |
GPAWRunner.calculate |
6 |
6 |
0 |
0% |
| gpaw/cli/run.py |
CLICommand.add_arguments |
4 |
0 |
0 |
100% |
| gpaw/cli/run.py |
CLICommand.run |
3 |
3 |
0 |
0% |
| gpaw/cli/run.py |
(no function) |
15 |
0 |
0 |
100% |
| gpaw/cli/sbatch.py |
CLICommand.add_arguments |
3 |
0 |
0 |
100% |
| gpaw/cli/sbatch.py |
CLICommand.run |
28 |
28 |
0 |
0% |
| gpaw/cli/sbatch.py |
(no function) |
9 |
0 |
0 |
100% |
| gpaw/cli/test.py |
CLICommand.add_arguments |
1 |
0 |
0 |
100% |
| gpaw/cli/test.py |
CLICommand.run |
2 |
2 |
0 |
0% |
| gpaw/cli/test.py |
test |
17 |
17 |
0 |
0% |
| gpaw/cli/test.py |
(no function) |
13 |
0 |
0 |
100% |
| gpaw/cluster.py |
Cluster.__init__ |
12 |
5 |
0 |
58% |
| gpaw/cluster.py |
Cluster.find_connected |
1 |
0 |
0 |
100% |
| gpaw/cluster.py |
Cluster.minimal_box |
1 |
0 |
0 |
100% |
| gpaw/cluster.py |
(no function) |
10 |
0 |
0 |
100% |
| gpaw/coding_style.py |
SimpleExample.__init__ |
5 |
5 |
0 |
0% |
| gpaw/coding_style.py |
SimpleExample.method_with_long_name |
3 |
3 |
0 |
0% |
| gpaw/coding_style.py |
SimpleExample.run |
5 |
5 |
0 |
0% |
| gpaw/coding_style.py |
SimpleExample.reset |
1 |
1 |
0 |
0% |
| gpaw/coding_style.py |
function |
4 |
4 |
0 |
0% |
| gpaw/coding_style.py |
(no function) |
11 |
0 |
0 |
100% |
| gpaw/convergence_criteria.py |
get_criterion |
8 |
4 |
0 |
50% |
| gpaw/convergence_criteria.py |
dict2criterion |
11 |
1 |
0 |
91% |
| gpaw/convergence_criteria.py |
check_convergence |
23 |
0 |
0 |
100% |
| gpaw/convergence_criteria.py |
Criterion.__repr__ |
3 |
0 |
0 |
100% |
| gpaw/convergence_criteria.py |
Criterion.todict |
5 |
0 |
0 |
100% |
| gpaw/convergence_criteria.py |
Criterion.reset |
1 |
0 |
0 |
100% |
| gpaw/convergence_criteria.py |
Energy.__init__ |
6 |
0 |
0 |
100% |
| gpaw/convergence_criteria.py |
Energy.reset |
1 |
0 |
0 |
100% |
| gpaw/convergence_criteria.py |
Energy.__call__ |
13 |
0 |
0 |
100% |
| gpaw/convergence_criteria.py |
Density.__init__ |
2 |
0 |
0 |
100% |
| gpaw/convergence_criteria.py |
Density.__call__ |
11 |
0 |
0 |
100% |
| gpaw/convergence_criteria.py |
Eigenstates.__init__ |
2 |
0 |
0 |
100% |
| gpaw/convergence_criteria.py |
Eigenstates.__call__ |
8 |
0 |
0 |
100% |
| gpaw/convergence_criteria.py |
Eigenstates.get_error |
1 |
0 |
0 |
100% |
| gpaw/convergence_criteria.py |
Eigenvalues.__init__ |
2 |
2 |
0 |
0% |
| gpaw/convergence_criteria.py |
Eigenvalues.__call__ |
8 |
8 |
0 |
0% |
| gpaw/convergence_criteria.py |
Eigenvalues.get_error |
1 |
1 |
0 |
0% |
| gpaw/convergence_criteria.py |
Forces.__init__ |
5 |
0 |
0 |
100% |
| gpaw/convergence_criteria.py |
Forces.__call__ |
18 |
3 |
0 |
83% |
| gpaw/convergence_criteria.py |
Forces.reset |
1 |
0 |
0 |
100% |
| gpaw/convergence_criteria.py |
WorkFunction.__init__ |
3 |
0 |
0 |
100% |
| gpaw/convergence_criteria.py |
WorkFunction.reset |
1 |
0 |
0 |
100% |
| gpaw/convergence_criteria.py |
WorkFunction.__call__ |
11 |
0 |
0 |
100% |
| gpaw/convergence_criteria.py |
MinIter.__init__ |
2 |
0 |
0 |
100% |
| gpaw/convergence_criteria.py |
MinIter.__call__ |
3 |
0 |
0 |
100% |
| gpaw/convergence_criteria.py |
MaxIter.__init__ |
2 |
0 |
0 |
100% |
| gpaw/convergence_criteria.py |
MaxIter.__call__ |
3 |
0 |
0 |
100% |
| gpaw/convergence_criteria.py |
(no function) |
65 |
0 |
0 |
100% |
| gpaw/core/__init__.py |
(no function) |
3 |
0 |
0 |
100% |
| gpaw/core/arrays.py |
XArrayWithNoData.__init__ |
5 |
0 |
0 |
100% |
| gpaw/core/arrays.py |
XArrayWithNoData.morph |
2 |
2 |
0 |
0% |
| gpaw/core/arrays.py |
DistributedArrays.__init__ |
28 |
3 |
0 |
89% |
| gpaw/core/arrays.py |
DistributedArrays.new |
1 |
1 |
0 |
0% |
| gpaw/core/arrays.py |
DistributedArrays.create_work_buffer |
10 |
0 |
0 |
100% |
| gpaw/core/arrays.py |
DistributedArrays.copy |
1 |
0 |
0 |
100% |
| gpaw/core/arrays.py |
DistributedArrays.sanity_check |
1 |
0 |
0 |
100% |
| gpaw/core/arrays.py |
DistributedArrays.__getitem__ |
1 |
1 |
0 |
0% |
| gpaw/core/arrays.py |
DistributedArrays.__bool__ |
1 |
1 |
0 |
0% |
| gpaw/core/arrays.py |
DistributedArrays.__len__ |
1 |
0 |
0 |
100% |
| gpaw/core/arrays.py |
DistributedArrays.__iter__ |
2 |
0 |
0 |
100% |
| gpaw/core/arrays.py |
DistributedArrays.flat |
4 |
0 |
0 |
100% |
| gpaw/core/arrays.py |
DistributedArrays.to_xp |
6 |
0 |
0 |
100% |
| gpaw/core/arrays.py |
DistributedArrays.matrix |
9 |
0 |
0 |
100% |
| gpaw/core/arrays.py |
DistributedArrays.matrix_elements |
22 |
3 |
0 |
86% |
| gpaw/core/arrays.py |
DistributedArrays._matrix_elements_correction |
1 |
0 |
0 |
100% |
| gpaw/core/arrays.py |
DistributedArrays.abs_square |
1 |
1 |
0 |
0% |
| gpaw/core/arrays.py |
DistributedArrays.add_ked |
1 |
1 |
0 |
0% |
| gpaw/core/arrays.py |
DistributedArrays.gather |
1 |
1 |
0 |
0% |
| gpaw/core/arrays.py |
DistributedArrays.gathergather |
8 |
0 |
0 |
100% |
| gpaw/core/arrays.py |
DistributedArrays.scatter_from |
1 |
1 |
0 |
0% |
| gpaw/core/arrays.py |
DistributedArrays.redist |
8 |
1 |
0 |
88% |
| gpaw/core/arrays.py |
DistributedArrays.interpolate |
1 |
1 |
0 |
0% |
| gpaw/core/arrays.py |
DistributedArrays.integrate |
1 |
1 |
0 |
0% |
| gpaw/core/arrays.py |
DistributedArrays.norm2 |
1 |
1 |
0 |
0% |
| gpaw/core/arrays.py |
_parallel_me |
33 |
33 |
0 |
0% |
| gpaw/core/arrays.py |
_parallel_me_sym |
61 |
61 |
0 |
0% |
| gpaw/core/arrays.py |
(no function) |
45 |
1 |
0 |
98% |
| gpaw/core/atom_arrays.py |
AtomArraysLayout.__init__ |
15 |
0 |
0 |
100% |
| gpaw/core/atom_arrays.py |
AtomArraysLayout.__len__ |
1 |
0 |
0 |
100% |
| gpaw/core/atom_arrays.py |
AtomArraysLayout.__repr__ |
1 |
1 |
0 |
0% |
| gpaw/core/atom_arrays.py |
AtomArraysLayout.new |
1 |
0 |
0 |
100% |
| gpaw/core/atom_arrays.py |
AtomArraysLayout.empty |
1 |
0 |
0 |
100% |
| gpaw/core/atom_arrays.py |
AtomArraysLayout.zeros |
3 |
0 |
0 |
100% |
| gpaw/core/atom_arrays.py |
AtomArraysLayout.sizes |
8 |
0 |
0 |
100% |
| gpaw/core/atom_arrays.py |
AtomDistribution.__init__ |
3 |
0 |
0 |
100% |
| gpaw/core/atom_arrays.py |
AtomDistribution.__len__ |
1 |
0 |
0 |
100% |
| gpaw/core/atom_arrays.py |
AtomDistribution.from_number_of_atoms |
10 |
1 |
0 |
90% |
| gpaw/core/atom_arrays.py |
AtomDistribution.from_atom_indices |
6 |
0 |
0 |
100% |
| gpaw/core/atom_arrays.py |
AtomDistribution.__repr__ |
1 |
1 |
0 |
0% |
| gpaw/core/atom_arrays.py |
AtomDistribution.gather |
1 |
0 |
0 |
100% |
| gpaw/core/atom_arrays.py |
AtomArrays.__init__ |
25 |
2 |
0 |
92% |
| gpaw/core/atom_arrays.py |
AtomArrays.__len__ |
1 |
0 |
0 |
100% |
| gpaw/core/atom_arrays.py |
AtomArrays.my_slice |
4 |
0 |
0 |
100% |
| gpaw/core/atom_arrays.py |
AtomArrays.__repr__ |
4 |
4 |
0 |
0% |
| gpaw/core/atom_arrays.py |
AtomArrays.matrix |
8 |
0 |
0 |
100% |
| gpaw/core/atom_arrays.py |
AtomArrays.new |
6 |
4 |
0 |
33% |
| gpaw/core/atom_arrays.py |
AtomArrays.to_cpu |
3 |
0 |
0 |
100% |
| gpaw/core/atom_arrays.py |
AtomArrays.to_xp |
6 |
0 |
0 |
100% |
| gpaw/core/atom_arrays.py |
AtomArrays.__getitem__ |
1 |
1 |
0 |
0% |
| gpaw/core/atom_arrays.py |
AtomArrays.__getitem__ |
1 |
1 |
0 |
0% |
| gpaw/core/atom_arrays.py |
AtomArrays.__getitem__ |
8 |
0 |
0 |
100% |
| gpaw/core/atom_arrays.py |
AtomArrays.copy |
1 |
1 |
0 |
0% |
| gpaw/core/atom_arrays.py |
AtomArrays.get |
1 |
0 |
0 |
100% |
| gpaw/core/atom_arrays.py |
AtomArrays.__setitem__ |
1 |
0 |
0 |
100% |
| gpaw/core/atom_arrays.py |
AtomArrays.__contains__ |
1 |
0 |
0 |
100% |
| gpaw/core/atom_arrays.py |
AtomArrays.items |
1 |
0 |
0 |
100% |
| gpaw/core/atom_arrays.py |
AtomArrays.keys |
1 |
0 |
0 |
100% |
| gpaw/core/atom_arrays.py |
AtomArrays.values |
1 |
0 |
0 |
100% |
| gpaw/core/atom_arrays.py |
AtomArrays.gather |
1 |
1 |
0 |
0% |
| gpaw/core/atom_arrays.py |
AtomArrays.gather |
1 |
1 |
0 |
0% |
| gpaw/core/atom_arrays.py |
AtomArrays.gather |
30 |
23 |
0 |
23% |
| gpaw/core/atom_arrays.py |
AtomArrays.scatter_from |
28 |
20 |
0 |
29% |
| gpaw/core/atom_arrays.py |
AtomArrays.to_lower_triangle |
13 |
0 |
0 |
100% |
| gpaw/core/atom_arrays.py |
AtomArrays.to_full |
12 |
0 |
0 |
100% |
| gpaw/core/atom_arrays.py |
AtomArrays.moved |
22 |
20 |
0 |
9% |
| gpaw/core/atom_arrays.py |
AtomArrays.redist |
9 |
1 |
0 |
89% |
| gpaw/core/atom_arrays.py |
AtomArrays.block_diag_multiply |
14 |
0 |
0 |
100% |
| gpaw/core/atom_arrays.py |
(no function) |
61 |
0 |
0 |
100% |
| gpaw/core/atom_centered_functions.py |
to_spline |
2 |
0 |
0 |
100% |
| gpaw/core/atom_centered_functions.py |
AtomCenteredFunctions.__init__ |
6 |
0 |
0 |
100% |
| gpaw/core/atom_centered_functions.py |
AtomCenteredFunctions.__repr__ |
4 |
4 |
0 |
0% |
| gpaw/core/atom_centered_functions.py |
AtomCenteredFunctions.new |
1 |
1 |
0 |
0% |
| gpaw/core/atom_centered_functions.py |
AtomCenteredFunctions.layout |
2 |
0 |
0 |
100% |
| gpaw/core/atom_centered_functions.py |
AtomCenteredFunctions.atomdist |
2 |
0 |
0 |
100% |
| gpaw/core/atom_centered_functions.py |
AtomCenteredFunctions._lazy_init |
1 |
1 |
0 |
0% |
| gpaw/core/atom_centered_functions.py |
AtomCenteredFunctions.empty |
1 |
0 |
0 |
100% |
| gpaw/core/atom_centered_functions.py |
AtomCenteredFunctions.move |
8 |
1 |
0 |
88% |
| gpaw/core/atom_centered_functions.py |
AtomCenteredFunctions.add_to |
4 |
0 |
0 |
100% |
| gpaw/core/atom_centered_functions.py |
AtomCenteredFunctions.integrate |
6 |
0 |
0 |
100% |
| gpaw/core/atom_centered_functions.py |
AtomCenteredFunctions.derivative |
6 |
0 |
0 |
100% |
| gpaw/core/atom_centered_functions.py |
AtomCenteredFunctions.stress_contribution |
2 |
0 |
0 |
100% |
| gpaw/core/atom_centered_functions.py |
UGAtomCenteredFunctions.__init__ |
4 |
0 |
0 |
100% |
| gpaw/core/atom_centered_functions.py |
UGAtomCenteredFunctions.new |
1 |
0 |
0 |
100% |
| gpaw/core/atom_centered_functions.py |
UGAtomCenteredFunctions._lazy_init |
12 |
0 |
0 |
100% |
| gpaw/core/atom_centered_functions.py |
UGAtomCenteredFunctions.to_uniform_grid |
3 |
0 |
0 |
100% |
| gpaw/core/atom_centered_functions.py |
(no function) |
35 |
1 |
0 |
97% |
| gpaw/core/domain.py |
normalize_cell |
6 |
0 |
0 |
100% |
| gpaw/core/domain.py |
Domain.__init__ |
23 |
2 |
0 |
91% |
| gpaw/core/domain.py |
Domain.new |
1 |
1 |
0 |
0% |
| gpaw/core/domain.py |
Domain.__repr__ |
8 |
2 |
0 |
75% |
| gpaw/core/domain.py |
Domain.global_shape |
1 |
1 |
0 |
0% |
| gpaw/core/domain.py |
Domain.cell |
1 |
0 |
0 |
100% |
| gpaw/core/domain.py |
Domain.pbc |
1 |
0 |
0 |
100% |
| gpaw/core/domain.py |
Domain.kpt |
1 |
0 |
0 |
100% |
| gpaw/core/domain.py |
Domain.empty |
1 |
1 |
0 |
0% |
| gpaw/core/domain.py |
Domain.zeros |
3 |
0 |
0 |
100% |
| gpaw/core/domain.py |
Domain.icell |
1 |
0 |
0 |
100% |
| gpaw/core/domain.py |
Domain.uniform_grid_with_grid_spacing |
6 |
0 |
0 |
100% |
| gpaw/core/domain.py |
(no function) |
29 |
2 |
0 |
93% |
| gpaw/core/matrix.py |
suggest_blocking |
13 |
0 |
0 |
100% |
| gpaw/core/matrix.py |
MatrixWithNoData.__init__ |
8 |
0 |
0 |
100% |
| gpaw/core/matrix.py |
MatrixWithNoData.create |
1 |
0 |
0 |
100% |
| gpaw/core/matrix.py |
Matrix.__init__ |
29 |
0 |
0 |
100% |
| gpaw/core/matrix.py |
Matrix.__repr__ |
4 |
4 |
0 |
0% |
| gpaw/core/matrix.py |
Matrix.new |
1 |
0 |
0 |
100% |
| gpaw/core/matrix.py |
Matrix.copy |
3 |
0 |
0 |
100% |
| gpaw/core/matrix.py |
Matrix.__setitem__ |
3 |
3 |
0 |
0% |
| gpaw/core/matrix.py |
Matrix.__iadd__ |
4 |
0 |
0 |
100% |
| gpaw/core/matrix.py |
Matrix.multiply |
45 |
2 |
0 |
96% |
| gpaw/core/matrix.py |
Matrix.redist |
49 |
41 |
0 |
16% |
| gpaw/core/matrix.py |
Matrix.gather |
10 |
6 |
0 |
40% |
| gpaw/core/matrix.py |
Matrix.inv |
13 |
5 |
0 |
62% |
| gpaw/core/matrix.py |
Matrix.invcholesky |
12 |
1 |
0 |
92% |
| gpaw/core/matrix.py |
Matrix.eigh |
53 |
18 |
0 |
66% |
| gpaw/core/matrix.py |
Matrix.eighg |
33 |
9 |
0 |
73% |
| gpaw/core/matrix.py |
Matrix.complex_conjugate |
2 |
0 |
0 |
100% |
| gpaw/core/matrix.py |
Matrix.add_hermitian_conjugate |
7 |
2 |
0 |
71% |
| gpaw/core/matrix.py |
Matrix.tril2full |
13 |
5 |
0 |
62% |
| gpaw/core/matrix.py |
Matrix.add_to_diagonal |
4 |
0 |
0 |
100% |
| gpaw/core/matrix.py |
Matrix.to_cpu |
1 |
0 |
0 |
100% |
| gpaw/core/matrix.py |
Matrix.to_xp |
6 |
0 |
0 |
100% |
| gpaw/core/matrix.py |
Matrix.to_dtype |
3 |
0 |
0 |
100% |
| gpaw/core/matrix.py |
_matrix |
3 |
3 |
0 |
0% |
| gpaw/core/matrix.py |
redist |
1 |
1 |
0 |
0% |
| gpaw/core/matrix.py |
create_distribution |
10 |
1 |
0 |
90% |
| gpaw/core/matrix.py |
MatrixDistribution.matrix |
1 |
0 |
0 |
100% |
| gpaw/core/matrix.py |
MatrixDistribution.multiply |
1 |
1 |
0 |
0% |
| gpaw/core/matrix.py |
MatrixDistribution.eighg |
1 |
1 |
0 |
0% |
| gpaw/core/matrix.py |
MatrixDistribution.new |
1 |
1 |
0 |
0% |
| gpaw/core/matrix.py |
MatrixDistribution.my_row_range |
8 |
1 |
0 |
88% |
| gpaw/core/matrix.py |
NoDistribution.__init__ |
2 |
0 |
0 |
100% |
| gpaw/core/matrix.py |
NoDistribution.__str__ |
1 |
1 |
0 |
0% |
| gpaw/core/matrix.py |
NoDistribution.global_index |
1 |
1 |
0 |
0% |
| gpaw/core/matrix.py |
NoDistribution.new |
1 |
0 |
0 |
100% |
| gpaw/core/matrix.py |
NoDistribution.multiply |
13 |
5 |
0 |
62% |
| gpaw/core/matrix.py |
BLACSDistribution.__init__ |
36 |
36 |
0 |
0% |
| gpaw/core/matrix.py |
BLACSDistribution.__str__ |
1 |
1 |
0 |
0% |
| gpaw/core/matrix.py |
BLACSDistribution.global_index |
1 |
1 |
0 |
0% |
| gpaw/core/matrix.py |
BLACSDistribution.new |
1 |
1 |
0 |
0% |
| gpaw/core/matrix.py |
BLACSDistribution.multiply |
25 |
25 |
0 |
0% |
| gpaw/core/matrix.py |
cublas_mmm |
5 |
2 |
0 |
60% |
| gpaw/core/matrix.py |
CuPyDistribution.__init__ |
9 |
0 |
0 |
100% |
| gpaw/core/matrix.py |
CuPyDistribution.__str__ |
3 |
3 |
0 |
0% |
| gpaw/core/matrix.py |
CuPyDistribution.global_index |
2 |
2 |
0 |
0% |
| gpaw/core/matrix.py |
CuPyDistribution.new |
1 |
0 |
0 |
100% |
| gpaw/core/matrix.py |
CuPyDistribution.multiply |
25 |
13 |
0 |
48% |
| gpaw/core/matrix.py |
CuPyDistribution.eighg |
9 |
0 |
0 |
100% |
| gpaw/core/matrix.py |
mmm_nn |
33 |
10 |
0 |
70% |
| gpaw/core/matrix.py |
mmm_nc_sym |
57 |
27 |
0 |
53% |
| gpaw/core/matrix.py |
mmm_nc |
31 |
10 |
0 |
68% |
| gpaw/core/matrix.py |
(no function) |
81 |
0 |
0 |
100% |
| gpaw/core/plane_waves.py |
PWDesc.__init__ |
23 |
0 |
0 |
100% |
| gpaw/core/plane_waves.py |
PWDesc.__repr__ |
3 |
0 |
0 |
100% |
| gpaw/core/plane_waves.py |
PWDesc._short_string |
1 |
0 |
0 |
100% |
| gpaw/core/plane_waves.py |
PWDesc.global_shape |
1 |
0 |
0 |
100% |
| gpaw/core/plane_waves.py |
PWDesc.reciprocal_vectors |
1 |
0 |
0 |
100% |
| gpaw/core/plane_waves.py |
PWDesc.kinetic_energies |
1 |
1 |
0 |
0% |
| gpaw/core/plane_waves.py |
PWDesc.empty |
1 |
0 |
0 |
100% |
| gpaw/core/plane_waves.py |
PWDesc.from_data |
1 |
0 |
0 |
100% |
| gpaw/core/plane_waves.py |
PWDesc.new |
4 |
0 |
0 |
100% |
| gpaw/core/plane_waves.py |
PWDesc.indices |
7 |
0 |
0 |
100% |
| gpaw/core/plane_waves.py |
PWDesc.minimal_uniform_grid |
8 |
0 |
0 |
100% |
| gpaw/core/plane_waves.py |
PWDesc.cut |
1 |
0 |
0 |
100% |
| gpaw/core/plane_waves.py |
PWDesc.paste |
12 |
0 |
0 |
100% |
| gpaw/core/plane_waves.py |
PWDesc.map_indices |
15 |
0 |
0 |
100% |
| gpaw/core/plane_waves.py |
PWDesc.atom_centered_functions |
4 |
2 |
0 |
50% |
| gpaw/core/plane_waves.py |
PWArray.__init__ |
5 |
0 |
0 |
100% |
| gpaw/core/plane_waves.py |
PWArray.__repr__ |
6 |
1 |
0 |
83% |
| gpaw/core/plane_waves.py |
PWArray.__getitem__ |
2 |
0 |
0 |
100% |
| gpaw/core/plane_waves.py |
PWArray.__iter__ |
2 |
0 |
0 |
100% |
| gpaw/core/plane_waves.py |
PWArray.new |
7 |
0 |
0 |
100% |
| gpaw/core/plane_waves.py |
PWArray.copy |
3 |
0 |
0 |
100% |
| gpaw/core/plane_waves.py |
PWArray.sanity_check |
3 |
1 |
0 |
67% |
| gpaw/core/plane_waves.py |
PWArray._arrays |
2 |
0 |
0 |
100% |
| gpaw/core/plane_waves.py |
PWArray.matrix |
11 |
0 |
0 |
100% |
| gpaw/core/plane_waves.py |
PWArray.ifft |
19 |
3 |
0 |
84% |
| gpaw/core/plane_waves.py |
PWArray.interpolate |
2 |
0 |
0 |
100% |
| gpaw/core/plane_waves.py |
PWArray.gather |
22 |
18 |
0 |
18% |
| gpaw/core/plane_waves.py |
PWArray.gather_all |
13 |
7 |
0 |
46% |
| gpaw/core/plane_waves.py |
PWArray.scatter_from |
17 |
10 |
0 |
41% |
| gpaw/core/plane_waves.py |
PWArray.scatter_from_all |
13 |
7 |
0 |
46% |
| gpaw/core/plane_waves.py |
PWArray.integrate |
24 |
1 |
0 |
96% |
| gpaw/core/plane_waves.py |
PWArray._matrix_elements_correction |
12 |
0 |
0 |
100% |
| gpaw/core/plane_waves.py |
PWArray.norm2 |
21 |
1 |
0 |
95% |
| gpaw/core/plane_waves.py |
PWArray.abs_square |
37 |
21 |
0 |
43% |
| gpaw/core/plane_waves.py |
PWArray.to_pbc_grid |
1 |
0 |
0 |
100% |
| gpaw/core/plane_waves.py |
PWArray.randomize |
14 |
0 |
0 |
100% |
| gpaw/core/plane_waves.py |
PWArray.moment |
11 |
1 |
0 |
91% |
| gpaw/core/plane_waves.py |
PWArray.boundary_value |
8 |
0 |
0 |
100% |
| gpaw/core/plane_waves.py |
PWArray.morph |
20 |
1 |
0 |
95% |
| gpaw/core/plane_waves.py |
PWArray.add_ked |
28 |
2 |
0 |
93% |
| gpaw/core/plane_waves.py |
PWArray.transform |
20 |
3 |
0 |
85% |
| gpaw/core/plane_waves.py |
a2a_stuff |
10 |
10 |
0 |
0% |
| gpaw/core/plane_waves.py |
Empty.__init__ |
1 |
1 |
0 |
0% |
| gpaw/core/plane_waves.py |
Empty._arrays |
2 |
2 |
0 |
0% |
| gpaw/core/plane_waves.py |
find_reciprocal_vectors |
30 |
0 |
0 |
100% |
| gpaw/core/plane_waves.py |
abs_square_gpu |
20 |
2 |
0 |
90% |
| gpaw/core/plane_waves.py |
(no function) |
73 |
1 |
0 |
99% |
| gpaw/core/pwacf.py |
PWAtomCenteredFunctions.__init__ |
4 |
0 |
0 |
100% |
| gpaw/core/pwacf.py |
PWAtomCenteredFunctions.new |
1 |
0 |
0 |
100% |
| gpaw/core/pwacf.py |
PWAtomCenteredFunctions._lazy_init |
7 |
0 |
0 |
100% |
| gpaw/core/pwacf.py |
PWAtomCenteredFunctions.__repr__ |
4 |
4 |
0 |
0% |
| gpaw/core/pwacf.py |
PWAtomCenteredFunctions.to_uniform_grid |
3 |
0 |
0 |
100% |
| gpaw/core/pwacf.py |
PWAtomCenteredFunctions.change_cell |
2 |
0 |
0 |
100% |
| gpaw/core/pwacf.py |
PWAtomCenteredFunctions.multiply |
11 |
0 |
0 |
100% |
| gpaw/core/pwacf.py |
PWLFC.__init__ |
28 |
2 |
0 |
93% |
| gpaw/core/pwacf.py |
PWLFC.initialize |
47 |
2 |
0 |
96% |
| gpaw/core/pwacf.py |
PWLFC.get_function_count |
1 |
0 |
0 |
100% |
| gpaw/core/pwacf.py |
PWLFC.set_positions |
19 |
0 |
0 |
100% |
| gpaw/core/pwacf.py |
PWLFC.expand |
17 |
2 |
0 |
88% |
| gpaw/core/pwacf.py |
PWLFC.block |
14 |
1 |
0 |
93% |
| gpaw/core/pwacf.py |
PWLFC.get_emiGR_Ga |
3 |
0 |
0 |
100% |
| gpaw/core/pwacf.py |
PWLFC.add |
25 |
4 |
0 |
84% |
| gpaw/core/pwacf.py |
PWLFC.integrate |
35 |
3 |
0 |
91% |
| gpaw/core/pwacf.py |
PWLFC.derivative |
35 |
2 |
0 |
94% |
| gpaw/core/pwacf.py |
PWLFC.stress_tensor_contribution |
40 |
1 |
0 |
98% |
| gpaw/core/pwacf.py |
PWLFC._stress_tensor_contribution |
29 |
1 |
0 |
97% |
| gpaw/core/pwacf.py |
(no function) |
49 |
1 |
0 |
98% |
| gpaw/core/uniform_grid.py |
UGDesc.__init__ |
19 |
2 |
0 |
89% |
| gpaw/core/uniform_grid.py |
UGDesc.size |
1 |
0 |
0 |
100% |
| gpaw/core/uniform_grid.py |
UGDesc.global_shape |
1 |
0 |
0 |
100% |
| gpaw/core/uniform_grid.py |
UGDesc.__repr__ |
1 |
0 |
0 |
100% |
| gpaw/core/uniform_grid.py |
UGDesc._short_string |
1 |
0 |
0 |
100% |
| gpaw/core/uniform_grid.py |
UGDesc.phase_factor_cd |
5 |
0 |
0 |
100% |
| gpaw/core/uniform_grid.py |
UGDesc.new |
5 |
0 |
0 |
100% |
| gpaw/core/uniform_grid.py |
UGDesc.empty |
1 |
0 |
0 |
100% |
| gpaw/core/uniform_grid.py |
UGDesc.from_data |
1 |
0 |
0 |
100% |
| gpaw/core/uniform_grid.py |
UGDesc.blocks |
9 |
9 |
0 |
0% |
| gpaw/core/uniform_grid.py |
UGDesc.xyz |
3 |
0 |
0 |
100% |
| gpaw/core/uniform_grid.py |
UGDesc.atom_centered_functions |
2 |
0 |
0 |
100% |
| gpaw/core/uniform_grid.py |
UGDesc.transformer |
4 |
0 |
0 |
100% |
| gpaw/core/uniform_grid.py |
UGDesc.transformer.transform |
5 |
0 |
0 |
100% |
| gpaw/core/uniform_grid.py |
UGDesc.eikr |
4 |
1 |
0 |
75% |
| gpaw/core/uniform_grid.py |
UGDesc._gd |
2 |
0 |
0 |
100% |
| gpaw/core/uniform_grid.py |
UGDesc.from_cell_and_grid_spacing |
2 |
0 |
0 |
100% |
| gpaw/core/uniform_grid.py |
UGDesc.fft_plans |
5 |
1 |
0 |
80% |
| gpaw/core/uniform_grid.py |
UGDesc.ranks_from_fractional_positions |
4 |
1 |
0 |
75% |
| gpaw/core/uniform_grid.py |
UGDesc.ekin_max |
2 |
0 |
0 |
100% |
| gpaw/core/uniform_grid.py |
UGArray.__init__ |
2 |
0 |
0 |
100% |
| gpaw/core/uniform_grid.py |
UGArray.__repr__ |
6 |
2 |
0 |
67% |
| gpaw/core/uniform_grid.py |
UGArray.new |
9 |
0 |
0 |
100% |
| gpaw/core/uniform_grid.py |
UGArray.__getitem__ |
2 |
0 |
0 |
100% |
| gpaw/core/uniform_grid.py |
UGArray.__imul__ |
8 |
2 |
0 |
75% |
| gpaw/core/uniform_grid.py |
UGArray.__mul__ |
3 |
0 |
0 |
100% |
| gpaw/core/uniform_grid.py |
UGArray._arrays |
1 |
0 |
0 |
100% |
| gpaw/core/uniform_grid.py |
UGArray.xy |
8 |
0 |
0 |
100% |
| gpaw/core/uniform_grid.py |
UGArray.to_complex |
3 |
0 |
0 |
100% |
| gpaw/core/uniform_grid.py |
UGArray.scatter_from |
19 |
13 |
0 |
32% |
| gpaw/core/uniform_grid.py |
UGArray.gather |
22 |
18 |
0 |
18% |
| gpaw/core/uniform_grid.py |
UGArray.fft |
17 |
2 |
0 |
88% |
| gpaw/core/uniform_grid.py |
UGArray.norm2 |
7 |
0 |
0 |
100% |
| gpaw/core/uniform_grid.py |
UGArray.integrate |
13 |
0 |
0 |
100% |
| gpaw/core/uniform_grid.py |
UGArray.to_pbc_grid |
8 |
8 |
0 |
0% |
| gpaw/core/uniform_grid.py |
UGArray.multiply_by_eikr |
5 |
0 |
0 |
100% |
| gpaw/core/uniform_grid.py |
UGArray.interpolate |
60 |
14 |
0 |
77% |
| gpaw/core/uniform_grid.py |
UGArray.fft_restrict |
52 |
12 |
0 |
77% |
| gpaw/core/uniform_grid.py |
UGArray.abs_square |
8 |
1 |
0 |
88% |
| gpaw/core/uniform_grid.py |
UGArray.symmetrize |
18 |
1 |
0 |
94% |
| gpaw/core/uniform_grid.py |
UGArray.randomize |
6 |
0 |
0 |
100% |
| gpaw/core/uniform_grid.py |
UGArray.moment |
16 |
0 |
0 |
100% |
| gpaw/core/uniform_grid.py |
UGArray.scaled |
3 |
0 |
0 |
100% |
| gpaw/core/uniform_grid.py |
UGArray.add_ked |
6 |
0 |
0 |
100% |
| gpaw/core/uniform_grid.py |
UGArray.redist |
3 |
0 |
0 |
100% |
| gpaw/core/uniform_grid.py |
UGArray.isosurface |
13 |
2 |
0 |
85% |
| gpaw/core/uniform_grid.py |
(no function) |
69 |
1 |
0 |
99% |
| gpaw/coulomb.py |
get_vxc |
24 |
24 |
0 |
0% |
| gpaw/coulomb.py |
Coulomb.__init__ |
2 |
0 |
0 |
100% |
| gpaw/coulomb.py |
Coulomb.load |
21 |
2 |
0 |
90% |
| gpaw/coulomb.py |
Coulomb.coulomb |
30 |
2 |
0 |
93% |
| gpaw/coulomb.py |
CoulombNEW.__init__ |
12 |
1 |
0 |
92% |
| gpaw/coulomb.py |
CoulombNEW.calculate |
16 |
0 |
0 |
100% |
| gpaw/coulomb.py |
HF.__init__ |
13 |
13 |
0 |
0% |
| gpaw/coulomb.py |
HF.apply |
5 |
5 |
0 |
0% |
| gpaw/coulomb.py |
HF.soft_pseudo |
34 |
34 |
0 |
0% |
| gpaw/coulomb.py |
HF.atomic_val_val |
19 |
19 |
0 |
0% |
| gpaw/coulomb.py |
HF.atomic_val_core |
4 |
4 |
0 |
0% |
| gpaw/coulomb.py |
(no function) |
26 |
0 |
0 |
100% |
| gpaw/data/g2_1_ref.py |
(no function) |
3 |
0 |
0 |
100% |
| gpaw/defects/__init__.py |
ElectrostaticCorrections.__init__ |
44 |
44 |
0 |
0% |
| gpaw/defects/__init__.py |
ElectrostaticCorrections.calculate_gaussian_density |
1 |
1 |
0 |
0% |
| gpaw/defects/__init__.py |
ElectrostaticCorrections.set_epsilons |
25 |
25 |
0 |
0% |
| gpaw/defects/__init__.py |
ElectrostaticCorrections.set_epsilons.normalize |
5 |
5 |
0 |
0% |
| gpaw/defects/__init__.py |
ElectrostaticCorrections.set_epsilons.objective_function |
3 |
3 |
0 |
0% |
| gpaw/defects/__init__.py |
ElectrostaticCorrections.get_index_array |
15 |
15 |
0 |
0% |
| gpaw/defects/__init__.py |
ElectrostaticCorrections.calculate_epsilon_GG |
7 |
7 |
0 |
0% |
| gpaw/defects/__init__.py |
ElectrostaticCorrections.calculate_periodic_correction |
22 |
22 |
0 |
0% |
| gpaw/defects/__init__.py |
ElectrostaticCorrections.calculate_isolated_correction |
18 |
18 |
0 |
0% |
| gpaw/defects/__init__.py |
ElectrostaticCorrections.calculate_isolated_correction.integrand |
4 |
4 |
0 |
0% |
| gpaw/defects/__init__.py |
ElectrostaticCorrections.calculate_potential_alignment |
9 |
9 |
0 |
0% |
| gpaw/defects/__init__.py |
ElectrostaticCorrections.calculate_z_avg_model_potential |
21 |
21 |
0 |
0% |
| gpaw/defects/__init__.py |
ElectrostaticCorrections.average |
11 |
11 |
0 |
0% |
| gpaw/defects/__init__.py |
ElectrostaticCorrections.calculate_corrected_formation_energy |
6 |
6 |
0 |
0% |
| gpaw/defects/__init__.py |
ElectrostaticCorrections.calculate_uncorrected_formation_energy |
3 |
3 |
0 |
0% |
| gpaw/defects/__init__.py |
ElectrostaticCorrections.collect_electrostatic_data |
5 |
5 |
0 |
0% |
| gpaw/defects/__init__.py |
find_G_z |
3 |
3 |
0 |
0% |
| gpaw/defects/__init__.py |
find_z |
3 |
3 |
0 |
0% |
| gpaw/defects/__init__.py |
(no function) |
26 |
0 |
0 |
100% |
| gpaw/densities.py |
Densities.__init__ |
4 |
0 |
0 |
100% |
| gpaw/densities.py |
Densities.from_calculation |
2 |
0 |
0 |
100% |
| gpaw/densities.py |
Densities.pseudo_densities |
13 |
13 |
0 |
0% |
| gpaw/densities.py |
Densities._pseudo_densities |
9 |
9 |
0 |
0% |
| gpaw/densities.py |
Densities.all_electron_densities |
35 |
35 |
0 |
0% |
| gpaw/densities.py |
Densities.spin_contamination |
9 |
9 |
0 |
0% |
| gpaw/densities.py |
add |
41 |
0 |
0 |
100% |
| gpaw/densities.py |
(no function) |
23 |
1 |
0 |
96% |
| gpaw/density.py |
CompensationChargeExpansionCoefficients.__init__ |
2 |
0 |
0 |
100% |
| gpaw/density.py |
CompensationChargeExpansionCoefficients.calculate |
9 |
0 |
0 |
100% |
| gpaw/density.py |
CompensationChargeExpansionCoefficients.get_charge |
2 |
0 |
0 |
100% |
| gpaw/density.py |
NullBackgroundCharge.set_grid_descriptor |
1 |
0 |
0 |
100% |
| gpaw/density.py |
NullBackgroundCharge.add_charge_to |
1 |
0 |
0 |
100% |
| gpaw/density.py |
NullBackgroundCharge.add_fourier_space_charge_to |
1 |
0 |
0 |
100% |
| gpaw/density.py |
Density.__init__ |
35 |
0 |
0 |
100% |
| gpaw/density.py |
Density.nt_sG |
1 |
0 |
0 |
100% |
| gpaw/density.py |
Density.nt_vG |
1 |
0 |
0 |
100% |
| gpaw/density.py |
Density.__str__ |
7 |
1 |
0 |
86% |
| gpaw/density.py |
Density.summary |
7 |
2 |
0 |
71% |
| gpaw/density.py |
Density.initialize |
5 |
0 |
0 |
100% |
| gpaw/density.py |
Density.reset |
1 |
0 |
0 |
100% |
| gpaw/density.py |
Density.set_positions_without_ruining_everything |
9 |
4 |
0 |
56% |
| gpaw/density.py |
Density.set_positions |
9 |
0 |
0 |
100% |
| gpaw/density.py |
Density.calculate_pseudo_density |
2 |
0 |
0 |
100% |
| gpaw/density.py |
Density.update_atomic_density_matrices |
8 |
0 |
0 |
100% |
| gpaw/density.py |
Density.update |
15 |
0 |
0 |
100% |
| gpaw/density.py |
Density.normalize |
8 |
0 |
0 |
100% |
| gpaw/density.py |
Density.mix |
6 |
0 |
0 |
100% |
| gpaw/density.py |
Density.calculate_multipole_moments |
4 |
0 |
0 |
100% |
| gpaw/density.py |
Density.get_initial_occupations |
14 |
0 |
0 |
100% |
| gpaw/density.py |
Density.initialize_from_atomic_densities |
14 |
1 |
0 |
93% |
| gpaw/density.py |
Density.initialize_from_wavefunctions |
8 |
0 |
0 |
100% |
| gpaw/density.py |
Density.initialize_directly_from_arrays |
6 |
0 |
0 |
100% |
| gpaw/density.py |
Density.calculate_normalized_charges_and_mix |
3 |
0 |
0 |
100% |
| gpaw/density.py |
Density.set_mixer |
7 |
1 |
0 |
86% |
| gpaw/density.py |
Density.calculate_magnetic_moments |
18 |
0 |
0 |
100% |
| gpaw/density.py |
Density.get_correction |
2 |
0 |
0 |
100% |
| gpaw/density.py |
Density.get_all_electron_density |
110 |
3 |
0 |
97% |
| gpaw/density.py |
Density.estimate_memory |
10 |
0 |
0 |
100% |
| gpaw/density.py |
Density.get_spin_contamination |
9 |
0 |
0 |
100% |
| gpaw/density.py |
Density.write |
1 |
0 |
0 |
100% |
| gpaw/density.py |
Density.read |
19 |
0 |
0 |
100% |
| gpaw/density.py |
Density.initialize_from_other_density |
4 |
0 |
0 |
100% |
| gpaw/density.py |
RealSpaceDensity.__init__ |
3 |
0 |
0 |
100% |
| gpaw/density.py |
RealSpaceDensity.initialize |
9 |
1 |
0 |
89% |
| gpaw/density.py |
RealSpaceDensity.set_positions |
3 |
0 |
0 |
100% |
| gpaw/density.py |
RealSpaceDensity.interpolate_pseudo_density |
8 |
0 |
0 |
100% |
| gpaw/density.py |
RealSpaceDensity.interpolate |
8 |
0 |
0 |
100% |
| gpaw/density.py |
RealSpaceDensity.distribute_and_interpolate |
2 |
0 |
0 |
100% |
| gpaw/density.py |
RealSpaceDensity.calculate_pseudo_charge |
9 |
1 |
0 |
89% |
| gpaw/density.py |
RealSpaceDensity.get_pseudo_core_kinetic_energy_density_lfc |
1 |
0 |
0 |
100% |
| gpaw/density.py |
RealSpaceDensity.calculate_dipole_moment |
1 |
0 |
0 |
100% |
| gpaw/density.py |
redistribute_array |
6 |
0 |
0 |
100% |
| gpaw/density.py |
create_atom_partition_and_distibutions |
5 |
0 |
0 |
100% |
| gpaw/density.py |
redistribute_atomic_matrices |
10 |
2 |
0 |
80% |
| gpaw/density.py |
(no function) |
67 |
0 |
0 |
100% |
| gpaw/dft.py |
Parameter.__repr__ |
2 |
0 |
0 |
100% |
| gpaw/dft.py |
Parameter._not_none |
6 |
0 |
0 |
100% |
| gpaw/dft.py |
Mode.__init__ |
3 |
0 |
0 |
100% |
| gpaw/dft.py |
Mode.todict |
4 |
1 |
0 |
75% |
| gpaw/dft.py |
Mode.from_param |
6 |
0 |
0 |
100% |
| gpaw/dft.py |
Mode.dft_components_builder |
2 |
0 |
0 |
100% |
| gpaw/dft.py |
PW.__init__ |
4 |
0 |
0 |
100% |
| gpaw/dft.py |
PW.todict |
3 |
0 |
0 |
100% |
| gpaw/dft.py |
LCAO.__init__ |
1 |
0 |
0 |
100% |
| gpaw/dft.py |
FD.__init__ |
2 |
0 |
0 |
100% |
| gpaw/dft.py |
FD.todict |
4 |
1 |
0 |
75% |
| gpaw/dft.py |
Eigensolver.from_param |
14 |
1 |
0 |
93% |
| gpaw/dft.py |
DefaultEigensolver.__init__ |
1 |
0 |
0 |
100% |
| gpaw/dft.py |
DefaultEigensolver.todict |
1 |
1 |
0 |
0% |
| gpaw/dft.py |
PWFDEigensolverParamater.__init__ |
2 |
0 |
0 |
100% |
| gpaw/dft.py |
PWFDEigensolverParamater.todict |
1 |
0 |
0 |
100% |
| gpaw/dft.py |
PWFDEigensolverParamater.build |
1 |
0 |
0 |
100% |
| gpaw/dft.py |
RMMDIIS.__init__ |
3 |
0 |
0 |
100% |
| gpaw/dft.py |
RMMDIIS.todict |
1 |
0 |
0 |
100% |
| gpaw/dft.py |
RMMDIIS.build |
1 |
0 |
0 |
100% |
| gpaw/dft.py |
LCAOEigensolver.build_lcao |
2 |
0 |
0 |
100% |
| gpaw/dft.py |
HybridLCAOEigensolver.build_lcao |
2 |
2 |
0 |
0% |
| gpaw/dft.py |
Scissors.__init__ |
1 |
0 |
0 |
100% |
| gpaw/dft.py |
Scissors.todict |
1 |
0 |
0 |
100% |
| gpaw/dft.py |
Scissors.build_lcao |
2 |
0 |
0 |
100% |
| gpaw/dft.py |
Extension.from_param |
8 |
6 |
0 |
25% |
| gpaw/dft.py |
Environment.from_param |
13 |
11 |
0 |
15% |
| gpaw/dft.py |
Environment.build |
2 |
0 |
0 |
100% |
| gpaw/dft.py |
Mixer.__init__ |
1 |
0 |
0 |
100% |
| gpaw/dft.py |
Mixer.todict |
1 |
0 |
0 |
100% |
| gpaw/dft.py |
Mixer.from_param |
3 |
1 |
0 |
67% |
| gpaw/dft.py |
Occupations.__init__ |
1 |
0 |
0 |
100% |
| gpaw/dft.py |
Occupations.todict |
1 |
0 |
0 |
100% |
| gpaw/dft.py |
Occupations.from_param |
3 |
1 |
0 |
67% |
| gpaw/dft.py |
PoissonSolver.__init__ |
1 |
0 |
0 |
100% |
| gpaw/dft.py |
PoissonSolver.todict |
1 |
1 |
0 |
0% |
| gpaw/dft.py |
PoissonSolver.from_param |
3 |
0 |
0 |
100% |
| gpaw/dft.py |
PoissonSolver.build |
3 |
0 |
0 |
100% |
| gpaw/dft.py |
array_or_none |
3 |
1 |
0 |
67% |
| gpaw/dft.py |
Symmetry.__init__ |
8 |
0 |
0 |
100% |
| gpaw/dft.py |
Symmetry.from_param |
12 |
4 |
0 |
67% |
| gpaw/dft.py |
Symmetry.todict |
5 |
0 |
0 |
100% |
| gpaw/dft.py |
Symmetry.build |
1 |
0 |
0 |
100% |
| gpaw/dft.py |
BZSampling.from_param |
16 |
3 |
0 |
81% |
| gpaw/dft.py |
KPoints.__init__ |
1 |
0 |
0 |
100% |
| gpaw/dft.py |
KPoints.todict |
1 |
0 |
0 |
100% |
| gpaw/dft.py |
KPoints.build |
2 |
0 |
0 |
100% |
| gpaw/dft.py |
MonkhorstPack.__init__ |
3 |
0 |
0 |
100% |
| gpaw/dft.py |
MonkhorstPack.todict |
8 |
0 |
0 |
100% |
| gpaw/dft.py |
MonkhorstPack.build |
6 |
1 |
0 |
83% |
| gpaw/dft.py |
BandPath.__init__ |
2 |
2 |
0 |
0% |
| gpaw/dft.py |
BandPath.todict |
1 |
1 |
0 |
0% |
| gpaw/dft.py |
BandPath.build |
2 |
2 |
0 |
0% |
| gpaw/dft.py |
XC.__init__ |
2 |
0 |
0 |
100% |
| gpaw/dft.py |
XC.todict |
1 |
0 |
0 |
100% |
| gpaw/dft.py |
XC.functional |
2 |
0 |
0 |
100% |
| gpaw/dft.py |
XC.from_param |
5 |
1 |
0 |
80% |
| gpaw/dft.py |
Parameters.__init__ |
36 |
2 |
0 |
94% |
| gpaw/dft.py |
Parameters.__repr__ |
5 |
0 |
0 |
100% |
| gpaw/dft.py |
Parameters.todict |
12 |
1 |
0 |
92% |
| gpaw/dft.py |
Parameters._value |
5 |
1 |
0 |
80% |
| gpaw/dft.py |
Parameters.dft_component_builder |
1 |
0 |
0 |
100% |
| gpaw/dft.py |
Parameters.dft_calculation |
2 |
0 |
0 |
100% |
| gpaw/dft.py |
Parameters.dft_info |
1 |
1 |
0 |
0% |
| gpaw/dft.py |
_parse_experimental |
19 |
17 |
0 |
11% |
| gpaw/dft.py |
_fix_legacy_stuff |
9 |
3 |
0 |
67% |
| gpaw/dft.py |
DFT |
2 |
0 |
0 |
100% |
| gpaw/dft.py |
GPAW |
16 |
1 |
0 |
94% |
| gpaw/dft.py |
(no function) |
135 |
1 |
0 |
99% |
| gpaw/dipole_correction.py |
DipoleCorrection.__init__ |
6 |
0 |
0 |
100% |
| gpaw/dipole_correction.py |
DipoleCorrection.todict |
5 |
5 |
0 |
0% |
| gpaw/dipole_correction.py |
DipoleCorrection.get_stencil |
1 |
1 |
0 |
0% |
| gpaw/dipole_correction.py |
DipoleCorrection.set_grid_descriptor |
2 |
0 |
0 |
100% |
| gpaw/dipole_correction.py |
DipoleCorrection.check_direction |
13 |
3 |
0 |
77% |
| gpaw/dipole_correction.py |
DipoleCorrection.get_description |
3 |
0 |
0 |
100% |
| gpaw/dipole_correction.py |
DipoleCorrection.initialize |
1 |
1 |
0 |
0% |
| gpaw/dipole_correction.py |
DipoleCorrection.solve |
3 |
0 |
0 |
100% |
| gpaw/dipole_correction.py |
DipoleCorrection.fdsolve |
8 |
1 |
0 |
88% |
| gpaw/dipole_correction.py |
DipoleCorrection.pwsolve |
10 |
0 |
0 |
100% |
| gpaw/dipole_correction.py |
DipoleCorrection.initialize_sawtooth |
20 |
1 |
0 |
95% |
| gpaw/dipole_correction.py |
DipoleCorrection.estimate_memory |
1 |
0 |
0 |
100% |
| gpaw/dipole_correction.py |
DipoleCorrection.build |
4 |
4 |
0 |
0% |
| gpaw/dipole_correction.py |
dipole_correction |
14 |
0 |
0 |
100% |
| gpaw/dipole_correction.py |
(no function) |
18 |
0 |
0 |
100% |
| gpaw/directmin/__init__.py |
search_direction |
15 |
2 |
0 |
87% |
| gpaw/directmin/__init__.py |
line_search_algorithm |
11 |
1 |
0 |
91% |
| gpaw/directmin/__init__.py |
partial_diagonalizer |
9 |
2 |
0 |
78% |
| gpaw/directmin/__init__.py |
(no function) |
6 |
0 |
0 |
100% |
| gpaw/directmin/derivatives.py |
Derivatives.__init__ |
31 |
0 |
0 |
100% |
| gpaw/directmin/derivatives.py |
Derivatives.get_analytical_derivatives |
12 |
0 |
0 |
100% |
| gpaw/directmin/derivatives.py |
Derivatives.get_numerical_derivatives |
7 |
0 |
0 |
100% |
| gpaw/directmin/derivatives.py |
Derivatives.get_numerical_derivatives_lcao |
28 |
0 |
0 |
100% |
| gpaw/directmin/derivatives.py |
Derivatives.get_numerical_gradient_fdpw |
59 |
3 |
0 |
95% |
| gpaw/directmin/derivatives.py |
Derivatives.get_numerical_hessian_fdpw |
24 |
0 |
0 |
100% |
| gpaw/directmin/derivatives.py |
Davidson.__init__ |
44 |
0 |
0 |
100% |
| gpaw/directmin/derivatives.py |
Davidson.check_inputs |
24 |
1 |
0 |
96% |
| gpaw/directmin/derivatives.py |
Davidson.set_defaults |
3 |
0 |
0 |
100% |
| gpaw/directmin/derivatives.py |
Davidson.todict |
1 |
0 |
0 |
100% |
| gpaw/directmin/derivatives.py |
Davidson.introduce |
3 |
0 |
0 |
100% |
| gpaw/directmin/derivatives.py |
Davidson.run |
23 |
0 |
0 |
100% |
| gpaw/directmin/derivatives.py |
Davidson.obtain_grad_at_c_ref |
6 |
0 |
0 |
100% |
| gpaw/directmin/derivatives.py |
Davidson.determine_sp_order_from_lambda |
8 |
1 |
0 |
88% |
| gpaw/directmin/derivatives.py |
Davidson.obtain_x_in_krylov_subspace |
4 |
0 |
0 |
100% |
| gpaw/directmin/derivatives.py |
Davidson.initialize |
27 |
1 |
0 |
96% |
| gpaw/directmin/derivatives.py |
Davidson.get_approximate_hessian_and_dim |
9 |
0 |
0 |
100% |
| gpaw/directmin/derivatives.py |
Davidson.estimate_spo_and_update_appr_hess |
13 |
1 |
0 |
92% |
| gpaw/directmin/derivatives.py |
Davidson.form_initial_krylov_subspace |
10 |
0 |
0 |
100% |
| gpaw/directmin/derivatives.py |
Davidson.randomize_krylov_subspace |
12 |
2 |
0 |
83% |
| gpaw/directmin/derivatives.py |
Davidson.initialize_randomized_krylov_subspace |
30 |
2 |
0 |
93% |
| gpaw/directmin/derivatives.py |
Davidson.iterate |
30 |
0 |
0 |
100% |
| gpaw/directmin/derivatives.py |
Davidson.evaluate_W |
14 |
0 |
0 |
100% |
| gpaw/directmin/derivatives.py |
Davidson.calculate_ritz_vectors |
6 |
0 |
0 |
100% |
| gpaw/directmin/derivatives.py |
Davidson.calculate_residuals |
6 |
0 |
0 |
100% |
| gpaw/directmin/derivatives.py |
Davidson.calculate_preconditioner |
9 |
0 |
0 |
100% |
| gpaw/directmin/derivatives.py |
Davidson.augment_krylov_subspace |
12 |
2 |
0 |
83% |
| gpaw/directmin/derivatives.py |
Davidson.get_new_krylov_subspace_directions |
16 |
6 |
0 |
62% |
| gpaw/directmin/derivatives.py |
Davidson.log |
23 |
1 |
0 |
96% |
| gpaw/directmin/derivatives.py |
Davidson.get_fd_hessian |
20 |
0 |
0 |
100% |
| gpaw/directmin/derivatives.py |
Davidson.calculate_displaced_grad |
13 |
0 |
0 |
100% |
| gpaw/directmin/derivatives.py |
Davidson.break_instability |
11 |
3 |
0 |
73% |
| gpaw/directmin/derivatives.py |
Davidson.displace |
8 |
0 |
0 |
100% |
| gpaw/directmin/derivatives.py |
Davidson.do_line_search |
18 |
18 |
0 |
0% |
| gpaw/directmin/derivatives.py |
Davidson.estimate_sp_order |
13 |
13 |
0 |
0% |
| gpaw/directmin/derivatives.py |
mgs |
7 |
0 |
0 |
100% |
| gpaw/directmin/derivatives.py |
construct_real_hessian |
4 |
0 |
0 |
100% |
| gpaw/directmin/derivatives.py |
apply_central_finite_difference_approx |
7 |
1 |
0 |
86% |
| gpaw/directmin/derivatives.py |
get_approx_analytical_hessian |
16 |
0 |
0 |
100% |
| gpaw/directmin/derivatives.py |
(no function) |
49 |
0 |
0 |
100% |
| gpaw/directmin/etdm_fdpw.py |
FDPWETDM.__init__ |
37 |
0 |
0 |
100% |
| gpaw/directmin/etdm_fdpw.py |
FDPWETDM.check_inputs_and_init_search_algo |
11 |
0 |
0 |
100% |
| gpaw/directmin/etdm_fdpw.py |
FDPWETDM.set_defaults |
3 |
0 |
0 |
100% |
| gpaw/directmin/etdm_fdpw.py |
FDPWETDM.__repr__ |
14 |
1 |
0 |
93% |
| gpaw/directmin/etdm_fdpw.py |
FDPWETDM.reset |
3 |
0 |
0 |
100% |
| gpaw/directmin/etdm_fdpw.py |
FDPWETDM.todict |
1 |
0 |
0 |
100% |
| gpaw/directmin/etdm_fdpw.py |
FDPWETDM.initialize_dm_helper |
7 |
0 |
0 |
100% |
| gpaw/directmin/etdm_fdpw.py |
FDPWETDM.initialize_eigensolver |
10 |
4 |
0 |
60% |
| gpaw/directmin/etdm_fdpw.py |
FDPWETDM.initialize_dm |
39 |
1 |
0 |
97% |
| gpaw/directmin/etdm_fdpw.py |
FDPWETDM.initial_sort_orbitals_mom |
5 |
0 |
0 |
100% |
| gpaw/directmin/etdm_fdpw.py |
FDPWETDM.iterate |
39 |
0 |
0 |
100% |
| gpaw/directmin/etdm_fdpw.py |
FDPWETDM.update_ks_energy |
7 |
0 |
0 |
100% |
| gpaw/directmin/etdm_fdpw.py |
FDPWETDM.evaluate_phi_and_der_phi |
17 |
0 |
0 |
100% |
| gpaw/directmin/etdm_fdpw.py |
FDPWETDM.get_energy_and_tangent_gradients |
30 |
0 |
0 |
100% |
| gpaw/directmin/etdm_fdpw.py |
FDPWETDM.get_gradients_2 |
5 |
0 |
0 |
100% |
| gpaw/directmin/etdm_fdpw.py |
FDPWETDM.get_gradients_from_one_k_point_2 |
20 |
5 |
0 |
75% |
| gpaw/directmin/etdm_fdpw.py |
FDPWETDM.project_gradient |
4 |
0 |
0 |
100% |
| gpaw/directmin/etdm_fdpw.py |
FDPWETDM.project_gradient_for_one_k_point |
6 |
0 |
0 |
100% |
| gpaw/directmin/etdm_fdpw.py |
FDPWETDM.project_search_direction |
6 |
0 |
0 |
100% |
| gpaw/directmin/etdm_fdpw.py |
FDPWETDM.apply_S |
11 |
2 |
0 |
82% |
| gpaw/directmin/etdm_fdpw.py |
FDPWETDM.dot |
29 |
23 |
0 |
21% |
| gpaw/directmin/etdm_fdpw.py |
FDPWETDM.dot.dS |
1 |
1 |
0 |
0% |
| gpaw/directmin/etdm_fdpw.py |
FDPWETDM.error_eigv |
12 |
0 |
0 |
100% |
| gpaw/directmin/etdm_fdpw.py |
FDPWETDM.get_canonical_representation |
46 |
0 |
0 |
100% |
| gpaw/directmin/etdm_fdpw.py |
FDPWETDM.get_gradients_unocc_kpt |
25 |
1 |
0 |
96% |
| gpaw/directmin/etdm_fdpw.py |
FDPWETDM.get_energy_and_tangent_gradients_unocc |
43 |
1 |
0 |
98% |
| gpaw/directmin/etdm_fdpw.py |
FDPWETDM.run_unocc |
10 |
1 |
0 |
90% |
| gpaw/directmin/etdm_fdpw.py |
FDPWETDM.run_inner_loop |
50 |
2 |
0 |
96% |
| gpaw/directmin/etdm_fdpw.py |
FDPWETDM.initialize_orbitals |
12 |
3 |
0 |
75% |
| gpaw/directmin/etdm_fdpw.py |
FDPWETDM.initialize_orbitals.Ht |
1 |
1 |
0 |
0% |
| gpaw/directmin/etdm_fdpw.py |
FDPWETDM.localize |
4 |
2 |
0 |
50% |
| gpaw/directmin/etdm_fdpw.py |
FDPWETDM.choose_optimal_orbitals |
14 |
0 |
0 |
100% |
| gpaw/directmin/etdm_fdpw.py |
FDPWETDM.check_assertions |
5 |
0 |
0 |
100% |
| gpaw/directmin/etdm_fdpw.py |
FDPWETDM.check_restart |
16 |
0 |
0 |
100% |
| gpaw/directmin/etdm_fdpw.py |
FDPWETDM.initialize_mom_reference_orbitals |
7 |
0 |
0 |
100% |
| gpaw/directmin/etdm_fdpw.py |
log_f |
7 |
0 |
0 |
100% |
| gpaw/directmin/etdm_fdpw.py |
(no function) |
49 |
0 |
0 |
100% |
| gpaw/directmin/etdm_lcao.py |
LCAOETDM.__init__ |
66 |
0 |
0 |
100% |
| gpaw/directmin/etdm_lcao.py |
LCAOETDM.check_inputs_and_init_search_algo |
20 |
1 |
0 |
95% |
| gpaw/directmin/etdm_lcao.py |
LCAOETDM.set_defaults |
3 |
0 |
0 |
100% |
| gpaw/directmin/etdm_lcao.py |
LCAOETDM.__repr__ |
25 |
1 |
0 |
96% |
| gpaw/directmin/etdm_lcao.py |
LCAOETDM.initialize |
14 |
2 |
0 |
86% |
| gpaw/directmin/etdm_lcao.py |
LCAOETDM.initialize_dm_helper |
16 |
0 |
0 |
100% |
| gpaw/directmin/etdm_lcao.py |
LCAOETDM.set_variable_matrices |
54 |
1 |
0 |
98% |
| gpaw/directmin/etdm_lcao.py |
LCAOETDM.localize |
8 |
7 |
0 |
12% |
| gpaw/directmin/etdm_lcao.py |
LCAOETDM.lock_subspace |
15 |
15 |
0 |
0% |
| gpaw/directmin/etdm_lcao.py |
LCAOETDM.release_subspace |
9 |
9 |
0 |
0% |
| gpaw/directmin/etdm_lcao.py |
LCAOETDM.iterate |
51 |
17 |
0 |
67% |
| gpaw/directmin/etdm_lcao.py |
LCAOETDM.get_grad_norm |
4 |
4 |
0 |
0% |
| gpaw/directmin/etdm_lcao.py |
LCAOETDM.get_energy_and_gradients |
31 |
13 |
0 |
58% |
| gpaw/directmin/etdm_lcao.py |
LCAOETDM.update_ks_energy |
3 |
0 |
0 |
100% |
| gpaw/directmin/etdm_lcao.py |
LCAOETDM.evaluate_phi_and_der_phi |
12 |
0 |
0 |
100% |
| gpaw/directmin/etdm_lcao.py |
LCAOETDM.update_ref_orbitals |
10 |
0 |
0 |
100% |
| gpaw/directmin/etdm_lcao.py |
LCAOETDM.get_preconditioning |
29 |
2 |
0 |
93% |
| gpaw/directmin/etdm_lcao.py |
LCAOETDM.get_canonical_representation |
9 |
0 |
0 |
100% |
| gpaw/directmin/etdm_lcao.py |
LCAOETDM.set_ref_orbitals_and_a_vec |
4 |
0 |
0 |
100% |
| gpaw/directmin/etdm_lcao.py |
LCAOETDM.reset |
4 |
0 |
0 |
100% |
| gpaw/directmin/etdm_lcao.py |
LCAOETDM.todict |
4 |
0 |
0 |
100% |
| gpaw/directmin/etdm_lcao.py |
LCAOETDM.rotate_wavefunctions |
9 |
1 |
0 |
89% |
| gpaw/directmin/etdm_lcao.py |
LCAOETDM.get_exponential_matrix_kpt |
29 |
3 |
0 |
90% |
| gpaw/directmin/etdm_lcao.py |
LCAOETDM.check_assertions |
4 |
0 |
0 |
100% |
| gpaw/directmin/etdm_lcao.py |
LCAOETDM.initialize_mom_reference_orbitals |
4 |
0 |
0 |
100% |
| gpaw/directmin/etdm_lcao.py |
LCAOETDM.initial_sort_orbitals_mom |
4 |
0 |
0 |
100% |
| gpaw/directmin/etdm_lcao.py |
LCAOETDM.check_mom |
6 |
0 |
0 |
100% |
| gpaw/directmin/etdm_lcao.py |
LCAOETDM.randomize_orbitals_kpt |
6 |
0 |
0 |
100% |
| gpaw/directmin/etdm_lcao.py |
LCAOETDM.calculate_hamiltonian_matrix |
2 |
0 |
0 |
100% |
| gpaw/directmin/etdm_lcao.py |
LCAOETDM.kpointval |
1 |
0 |
0 |
100% |
| gpaw/directmin/etdm_lcao.py |
LCAOETDM.error |
1 |
0 |
0 |
100% |
| gpaw/directmin/etdm_lcao.py |
LCAOETDM.error |
1 |
0 |
0 |
100% |
| gpaw/directmin/etdm_lcao.py |
vec2skewmat |
5 |
0 |
0 |
100% |
| gpaw/directmin/etdm_lcao.py |
convert_constraints |
24 |
6 |
0 |
75% |
| gpaw/directmin/etdm_lcao.py |
check_indices |
7 |
7 |
0 |
0% |
| gpaw/directmin/etdm_lcao.py |
find_all_pairs |
17 |
6 |
0 |
65% |
| gpaw/directmin/etdm_lcao.py |
(no function) |
51 |
0 |
0 |
100% |
| gpaw/directmin/fdpw/er_localization.py |
ERLocalization.__init__ |
25 |
25 |
0 |
0% |
| gpaw/directmin/fdpw/er_localization.py |
ERLocalization.get_orbdens_compcharge_dm_kpt |
17 |
17 |
0 |
0% |
| gpaw/directmin/fdpw/er_localization.py |
ERLocalization.get_energy_and_gradients_kpt |
32 |
32 |
0 |
0% |
| gpaw/directmin/fdpw/er_localization.py |
ERLocalization.get_pseudo_pot |
15 |
15 |
0 |
0% |
| gpaw/directmin/fdpw/er_localization.py |
ERLocalization.get_paw_corrections |
15 |
15 |
0 |
0% |
| gpaw/directmin/fdpw/er_localization.py |
ERLocalization.get_energy_and_gradients_inner_loop |
19 |
19 |
0 |
0% |
| gpaw/directmin/fdpw/er_localization.py |
ERLocalization.get_energy_and_hamiltonian_kpt |
6 |
6 |
0 |
0% |
| gpaw/directmin/fdpw/er_localization.py |
(no function) |
15 |
0 |
0 |
100% |
| gpaw/directmin/fdpw/etdm_inner_loop.py |
ETDMInnerLoop.__init__ |
32 |
3 |
0 |
91% |
| gpaw/directmin/fdpw/etdm_inner_loop.py |
ETDMInnerLoop.update_ks_energy |
7 |
0 |
0 |
100% |
| gpaw/directmin/fdpw/etdm_inner_loop.py |
ETDMInnerLoop.get_energy_and_gradients |
23 |
1 |
0 |
96% |
| gpaw/directmin/fdpw/etdm_inner_loop.py |
ETDMInnerLoop.rotate_wavefunctions |
13 |
1 |
0 |
92% |
| gpaw/directmin/fdpw/etdm_inner_loop.py |
ETDMInnerLoop.evaluate_phi_and_der_phi |
11 |
0 |
0 |
100% |
| gpaw/directmin/fdpw/etdm_inner_loop.py |
ETDMInnerLoop.get_search_direction |
17 |
0 |
0 |
100% |
| gpaw/directmin/fdpw/etdm_inner_loop.py |
ETDMInnerLoop.run |
96 |
15 |
0 |
84% |
| gpaw/directmin/fdpw/etdm_inner_loop.py |
ETDMInnerLoop.update_preconditioning |
20 |
2 |
0 |
90% |
| gpaw/directmin/fdpw/etdm_inner_loop.py |
ETDMInnerLoop.check_mom |
6 |
0 |
0 |
100% |
| gpaw/directmin/fdpw/etdm_inner_loop.py |
ETDMInnerLoop.kpointval |
1 |
0 |
0 |
100% |
| gpaw/directmin/fdpw/etdm_inner_loop.py |
log_f |
10 |
0 |
0 |
100% |
| gpaw/directmin/fdpw/etdm_inner_loop.py |
g_max_norm |
11 |
1 |
0 |
91% |
| gpaw/directmin/fdpw/etdm_inner_loop.py |
(no function) |
20 |
0 |
0 |
100% |
| gpaw/directmin/fdpw/pz_localization.py |
PZLocalization.__init__ |
23 |
0 |
0 |
100% |
| gpaw/directmin/fdpw/pz_localization.py |
PZLocalization.get_energy_and_gradients |
29 |
3 |
0 |
90% |
| gpaw/directmin/fdpw/pz_localization.py |
PZLocalization.evaluate_phi_and_der_phi |
11 |
11 |
0 |
0% |
| gpaw/directmin/fdpw/pz_localization.py |
PZLocalization.get_search_direction |
17 |
17 |
0 |
0% |
| gpaw/directmin/fdpw/pz_localization.py |
PZLocalization.run |
114 |
73 |
0 |
36% |
| gpaw/directmin/fdpw/pz_localization.py |
log_f |
10 |
10 |
0 |
0% |
| gpaw/directmin/fdpw/pz_localization.py |
g_max_norm |
11 |
1 |
0 |
91% |
| gpaw/directmin/fdpw/pz_localization.py |
(no function) |
14 |
0 |
0 |
100% |
| gpaw/directmin/functional/fdpw/__init__.py |
get_functional |
10 |
3 |
0 |
70% |
| gpaw/directmin/functional/fdpw/__init__.py |
(no function) |
5 |
0 |
0 |
100% |
| gpaw/directmin/functional/fdpw/ks.py |
KSFDPW.__init__ |
8 |
0 |
0 |
100% |
| gpaw/directmin/functional/fdpw/ks.py |
KSFDPW.get_energy_and_gradients_kpt |
27 |
7 |
0 |
74% |
| gpaw/directmin/functional/fdpw/ks.py |
KSFDPW.get_energy_and_gradients_inner_loop |
25 |
3 |
0 |
88% |
| gpaw/directmin/functional/fdpw/ks.py |
(no function) |
7 |
0 |
0 |
100% |
| gpaw/directmin/functional/fdpw/pz.py |
PZSICFDPW.__init__ |
57 |
9 |
0 |
84% |
| gpaw/directmin/functional/fdpw/pz.py |
PZSICFDPW.get_orbdens_compcharge_dm_kpt |
17 |
7 |
0 |
59% |
| gpaw/directmin/functional/fdpw/pz.py |
PZSICFDPW.get_energy_and_gradients_kpt |
7 |
0 |
0 |
100% |
| gpaw/directmin/functional/fdpw/pz.py |
PZSICFDPW.get_gradient_ks_kpt |
14 |
0 |
0 |
100% |
| gpaw/directmin/functional/fdpw/pz.py |
PZSICFDPW.get_esic_add_sic_gradient_kpt |
48 |
6 |
0 |
88% |
| gpaw/directmin/functional/fdpw/pz.py |
PZSICFDPW.get_pseudo_pot |
33 |
15 |
0 |
55% |
| gpaw/directmin/functional/fdpw/pz.py |
PZSICFDPW.get_paw_corrections |
22 |
2 |
0 |
91% |
| gpaw/directmin/functional/fdpw/pz.py |
PZSICFDPW.get_energy_and_gradients_inner_loop |
28 |
3 |
0 |
89% |
| gpaw/directmin/functional/fdpw/pz.py |
PZSICFDPW.get_odd_corrections_to_forces |
23 |
1 |
0 |
96% |
| gpaw/directmin/functional/fdpw/pz.py |
PZSICFDPW.get_pz_sic_ith_kpt |
8 |
0 |
0 |
100% |
| gpaw/directmin/functional/fdpw/pz.py |
PZSICFDPW.get_si_pot_dh_pw |
73 |
0 |
0 |
100% |
| gpaw/directmin/functional/fdpw/pz.py |
(no function) |
21 |
0 |
0 |
100% |
| gpaw/directmin/functional/lcao/__init__.py |
get_functional |
10 |
2 |
0 |
80% |
| gpaw/directmin/functional/lcao/__init__.py |
(no function) |
5 |
0 |
0 |
100% |
| gpaw/directmin/functional/lcao/ks.py |
KSLCAO.__init__ |
4 |
0 |
0 |
100% |
| gpaw/directmin/functional/lcao/ks.py |
KSLCAO.todict |
1 |
1 |
0 |
0% |
| gpaw/directmin/functional/lcao/ks.py |
KSLCAO.get_gradients |
30 |
0 |
0 |
100% |
| gpaw/directmin/functional/lcao/ks.py |
KSLCAO.get_ham_in_mol_orb_representation |
9 |
0 |
0 |
100% |
| gpaw/directmin/functional/lcao/ks.py |
KSLCAO.get_residual_error |
9 |
0 |
0 |
100% |
| gpaw/directmin/functional/lcao/ks.py |
KSLCAO.get_exact_gradient_matrix |
6 |
0 |
0 |
100% |
| gpaw/directmin/functional/lcao/ks.py |
constrain_grad |
7 |
0 |
0 |
100% |
| gpaw/directmin/functional/lcao/ks.py |
(no function) |
10 |
0 |
0 |
100% |
| gpaw/directmin/functional/lcao/pz.py |
PZSICLCAO.__init__ |
41 |
13 |
0 |
68% |
| gpaw/directmin/functional/lcao/pz.py |
PZSICLCAO.get_gradients |
60 |
10 |
0 |
83% |
| gpaw/directmin/functional/lcao/pz.py |
PZSICLCAO.get_orbital_potential_matrix |
34 |
1 |
0 |
97% |
| gpaw/directmin/functional/lcao/pz.py |
PZSICLCAO.get_density |
18 |
0 |
0 |
100% |
| gpaw/directmin/functional/lcao/pz.py |
PZSICLCAO.get_pseudo_pot |
42 |
16 |
0 |
62% |
| gpaw/directmin/functional/lcao/pz.py |
PZSICLCAO.get_paw_corrections |
33 |
4 |
0 |
88% |
| gpaw/directmin/functional/lcao/pz.py |
PZSICLCAO.get_odd_corrections_to_forces |
92 |
4 |
0 |
96% |
| gpaw/directmin/functional/lcao/pz.py |
PZSICLCAO.get_odd_corrections_to_forces._slices |
5 |
0 |
0 |
100% |
| gpaw/directmin/functional/lcao/pz.py |
PZSICLCAO.get_odd_corrections_to_forces.slices |
1 |
0 |
0 |
100% |
| gpaw/directmin/functional/lcao/pz.py |
PZSICLCAO.get_odd_corrections_to_forces.my_slices |
1 |
0 |
0 |
100% |
| gpaw/directmin/functional/lcao/pz.py |
PZSICLCAO.get_lagrange_matrices |
28 |
1 |
0 |
96% |
| gpaw/directmin/functional/lcao/pz.py |
constrain_grad |
7 |
0 |
0 |
100% |
| gpaw/directmin/functional/lcao/pz.py |
(no function) |
16 |
0 |
0 |
100% |
| gpaw/directmin/lcao/etdm_helper_lcao.py |
ETDMHelperLCAO.__init__ |
8 |
0 |
0 |
100% |
| gpaw/directmin/lcao/etdm_helper_lcao.py |
ETDMHelperLCAO.__repr__ |
1 |
1 |
0 |
0% |
| gpaw/directmin/lcao/etdm_helper_lcao.py |
ETDMHelperLCAO.set_reference_orbitals |
3 |
0 |
0 |
100% |
| gpaw/directmin/lcao/etdm_helper_lcao.py |
ETDMHelperLCAO.appy_transformation_kpt |
11 |
0 |
0 |
100% |
| gpaw/directmin/lcao/etdm_helper_lcao.py |
ETDMHelperLCAO.initialize_orbitals |
7 |
0 |
0 |
100% |
| gpaw/directmin/lcao/etdm_helper_lcao.py |
ETDMHelperLCAO.calc_grad |
4 |
0 |
0 |
100% |
| gpaw/directmin/lcao/etdm_helper_lcao.py |
ETDMHelperLCAO.update_to_canonical_orbitals |
14 |
0 |
0 |
100% |
| gpaw/directmin/lcao/etdm_helper_lcao.py |
ETDMHelperLCAO.sort_orbitals |
2 |
0 |
0 |
100% |
| gpaw/directmin/lcao/etdm_helper_lcao.py |
ETDMHelperLCAO.update_projections |
1 |
0 |
0 |
100% |
| gpaw/directmin/lcao/etdm_helper_lcao.py |
ETDMHelperLCAO.orbital_energies |
8 |
4 |
0 |
50% |
| gpaw/directmin/lcao/etdm_helper_lcao.py |
ETDMHelperLCAO.kpointval |
1 |
0 |
0 |
100% |
| gpaw/directmin/lcao/etdm_helper_lcao.py |
rotate_subspace |
3 |
0 |
0 |
100% |
| gpaw/directmin/lcao/etdm_helper_lcao.py |
(no function) |
17 |
0 |
0 |
100% |
| gpaw/directmin/locfunc/etdm_localization_fdpw.py |
FDPWETDMLocalize.__init__ |
5 |
5 |
0 |
0% |
| gpaw/directmin/locfunc/etdm_localization_fdpw.py |
FDPWETDMLocalize.run |
12 |
12 |
0 |
0% |
| gpaw/directmin/locfunc/etdm_localization_fdpw.py |
(no function) |
6 |
0 |
0 |
100% |
| gpaw/directmin/locfunc/localize_orbitals.py |
localize_orbitals |
67 |
67 |
0 |
0% |
| gpaw/directmin/locfunc/localize_orbitals.py |
(no function) |
7 |
0 |
0 |
100% |
| gpaw/directmin/ls_etdm.py |
is_descent |
1 |
0 |
0 |
100% |
| gpaw/directmin/ls_etdm.py |
is_descent_and_approximate_wolfe_conditions |
3 |
0 |
0 |
100% |
| gpaw/directmin/ls_etdm.py |
get_slength |
11 |
0 |
0 |
100% |
| gpaw/directmin/ls_etdm.py |
MaxStep.__init__ |
3 |
0 |
0 |
100% |
| gpaw/directmin/ls_etdm.py |
MaxStep.todict |
1 |
0 |
0 |
100% |
| gpaw/directmin/ls_etdm.py |
MaxStep.step_length_update |
6 |
0 |
0 |
100% |
| gpaw/directmin/ls_etdm.py |
StrongWolfeConditions.__init__ |
9 |
0 |
0 |
100% |
| gpaw/directmin/ls_etdm.py |
StrongWolfeConditions.todict |
1 |
1 |
0 |
0% |
| gpaw/directmin/ls_etdm.py |
StrongWolfeConditions.step_length_update |
77 |
16 |
0 |
79% |
| gpaw/directmin/ls_etdm.py |
StrongWolfeConditions.zoom |
50 |
24 |
0 |
52% |
| gpaw/directmin/ls_etdm.py |
StrongWolfeConditions.init_guess |
13 |
3 |
0 |
77% |
| gpaw/directmin/ls_etdm.py |
(no function) |
15 |
0 |
0 |
100% |
| gpaw/directmin/scf_helper.py |
do_if_converged |
66 |
2 |
0 |
97% |
| gpaw/directmin/scf_helper.py |
check_eigensolver_state |
14 |
1 |
0 |
93% |
| gpaw/directmin/scf_helper.py |
check_mom_no_update_of_occupations |
6 |
1 |
0 |
83% |
| gpaw/directmin/scf_helper.py |
(no function) |
7 |
0 |
0 |
100% |
| gpaw/directmin/sd_etdm.py |
SearchDirectionBase.__init__ |
5 |
0 |
0 |
100% |
| gpaw/directmin/sd_etdm.py |
SearchDirectionBase.__str__ |
1 |
1 |
0 |
0% |
| gpaw/directmin/sd_etdm.py |
SearchDirectionBase.todict |
1 |
1 |
0 |
0% |
| gpaw/directmin/sd_etdm.py |
SearchDirectionBase.update_data |
1 |
1 |
0 |
0% |
| gpaw/directmin/sd_etdm.py |
SearchDirectionBase.reset |
4 |
0 |
0 |
100% |
| gpaw/directmin/sd_etdm.py |
ModeFollowingBase.__init__ |
8 |
0 |
0 |
100% |
| gpaw/directmin/sd_etdm.py |
ModeFollowingBase.update_eigenpairs |
13 |
5 |
0 |
62% |
| gpaw/directmin/sd_etdm.py |
ModeFollowingBase.invert_parallel_grad |
29 |
14 |
0 |
52% |
| gpaw/directmin/sd_etdm.py |
ModeFollowing.__init__ |
4 |
0 |
0 |
100% |
| gpaw/directmin/sd_etdm.py |
ModeFollowing.beta_0 |
1 |
0 |
0 |
100% |
| gpaw/directmin/sd_etdm.py |
ModeFollowing.__str__ |
1 |
1 |
0 |
0% |
| gpaw/directmin/sd_etdm.py |
ModeFollowing.todict |
3 |
0 |
0 |
100% |
| gpaw/directmin/sd_etdm.py |
ModeFollowing.update_data |
3 |
0 |
0 |
100% |
| gpaw/directmin/sd_etdm.py |
ModeFollowing.reset |
1 |
0 |
0 |
100% |
| gpaw/directmin/sd_etdm.py |
SteepestDescent.__init__ |
3 |
0 |
0 |
100% |
| gpaw/directmin/sd_etdm.py |
SteepestDescent.__str__ |
1 |
1 |
0 |
0% |
| gpaw/directmin/sd_etdm.py |
SteepestDescent.todict |
1 |
1 |
0 |
0% |
| gpaw/directmin/sd_etdm.py |
SteepestDescent.update_data |
5 |
1 |
0 |
80% |
| gpaw/directmin/sd_etdm.py |
FRcg.__init__ |
3 |
0 |
0 |
100% |
| gpaw/directmin/sd_etdm.py |
FRcg.__str__ |
1 |
1 |
0 |
0% |
| gpaw/directmin/sd_etdm.py |
FRcg.todict |
1 |
1 |
0 |
0% |
| gpaw/directmin/sd_etdm.py |
FRcg.update_data |
11 |
0 |
0 |
100% |
| gpaw/directmin/sd_etdm.py |
LBFGS.__init__ |
11 |
0 |
0 |
100% |
| gpaw/directmin/sd_etdm.py |
LBFGS.__str__ |
1 |
1 |
0 |
0% |
| gpaw/directmin/sd_etdm.py |
LBFGS.todict |
1 |
0 |
0 |
100% |
| gpaw/directmin/sd_etdm.py |
LBFGS.update_data |
55 |
3 |
0 |
95% |
| gpaw/directmin/sd_etdm.py |
LBFGS_P.__init__ |
12 |
0 |
0 |
100% |
| gpaw/directmin/sd_etdm.py |
LBFGS_P.__str__ |
1 |
1 |
0 |
0% |
| gpaw/directmin/sd_etdm.py |
LBFGS_P.todict |
1 |
0 |
0 |
100% |
| gpaw/directmin/sd_etdm.py |
LBFGS_P.update_data |
63 |
7 |
0 |
89% |
| gpaw/directmin/sd_etdm.py |
LSR1P.__init__ |
18 |
2 |
0 |
89% |
| gpaw/directmin/sd_etdm.py |
LSR1P.__str__ |
1 |
1 |
0 |
0% |
| gpaw/directmin/sd_etdm.py |
LSR1P.todict |
1 |
0 |
0 |
100% |
| gpaw/directmin/sd_etdm.py |
LSR1P.update_data |
54 |
9 |
0 |
83% |
| gpaw/directmin/sd_etdm.py |
LSR1P.update_bv |
12 |
0 |
0 |
100% |
| gpaw/directmin/sd_etdm.py |
multiply |
4 |
0 |
0 |
100% |
| gpaw/directmin/sd_etdm.py |
zeros |
4 |
0 |
0 |
100% |
| gpaw/directmin/sd_etdm.py |
minus |
1 |
0 |
0 |
100% |
| gpaw/directmin/sd_etdm.py |
calc_diff |
4 |
0 |
0 |
100% |
| gpaw/directmin/sd_etdm.py |
dot_all_k_and_b |
15 |
0 |
0 |
100% |
| gpaw/directmin/sd_etdm.py |
apply_prec |
24 |
0 |
0 |
100% |
| gpaw/directmin/sd_etdm.py |
(no function) |
53 |
0 |
0 |
100% |
| gpaw/directmin/tools.py |
expm_ed |
7 |
1 |
0 |
86% |
| gpaw/directmin/tools.py |
expm_ed_unit_inv |
24 |
2 |
0 |
92% |
| gpaw/directmin/tools.py |
d_matrix |
8 |
0 |
0 |
100% |
| gpaw/directmin/tools.py |
minimum_cubic_interpol |
27 |
7 |
0 |
74% |
| gpaw/directmin/tools.py |
minimum_cubic_interpol.cubic_function |
1 |
0 |
0 |
100% |
| gpaw/directmin/tools.py |
matrix_function |
1 |
0 |
0 |
100% |
| gpaw/directmin/tools.py |
loewdin_lcao |
4 |
0 |
0 |
100% |
| gpaw/directmin/tools.py |
gramschmidt_lcao |
3 |
0 |
0 |
100% |
| gpaw/directmin/tools.py |
excite |
15 |
7 |
0 |
53% |
| gpaw/directmin/tools.py |
sort_orbitals_according_to_occ |
9 |
0 |
0 |
100% |
| gpaw/directmin/tools.py |
sort_orbitals_according_to_occ_kpt |
23 |
2 |
0 |
91% |
| gpaw/directmin/tools.py |
sort_orbitals_according_to_energies |
33 |
1 |
0 |
97% |
| gpaw/directmin/tools.py |
update_mom_numbers |
4 |
0 |
0 |
100% |
| gpaw/directmin/tools.py |
sort_orbitals_kpt |
6 |
2 |
0 |
67% |
| gpaw/directmin/tools.py |
update_constraints_kpt |
5 |
2 |
0 |
60% |
| gpaw/directmin/tools.py |
dict_to_array |
9 |
0 |
0 |
100% |
| gpaw/directmin/tools.py |
array_to_dict |
8 |
0 |
0 |
100% |
| gpaw/directmin/tools.py |
rotate_orbitals |
7 |
0 |
0 |
100% |
| gpaw/directmin/tools.py |
get_a_vec_u |
36 |
16 |
0 |
56% |
| gpaw/directmin/tools.py |
get_n_occ |
3 |
0 |
0 |
100% |
| gpaw/directmin/tools.py |
get_indices |
1 |
0 |
0 |
100% |
| gpaw/directmin/tools.py |
random_a |
6 |
0 |
0 |
100% |
| gpaw/directmin/tools.py |
(no function) |
26 |
0 |
0 |
100% |
| gpaw/doctools/aamath.py |
prep |
14 |
1 |
0 |
93% |
| gpaw/doctools/aamath.py |
cut |
2 |
0 |
0 |
100% |
| gpaw/doctools/aamath.py |
block |
14 |
0 |
0 |
100% |
| gpaw/doctools/aamath.py |
parse |
77 |
23 |
0 |
70% |
| gpaw/doctools/aamath.py |
autodoc_process_docstring |
14 |
14 |
0 |
0% |
| gpaw/doctools/aamath.py |
test_examples |
6 |
6 |
0 |
0% |
| gpaw/doctools/aamath.py |
main |
25 |
25 |
0 |
0% |
| gpaw/doctools/aamath.py |
(no function) |
11 |
1 |
0 |
91% |
| gpaw/doctools/agts_crontab.py |
find_created_files |
11 |
11 |
0 |
0% |
| gpaw/doctools/agts_crontab.py |
collect_files_for_web_page |
5 |
5 |
0 |
0% |
| gpaw/doctools/agts_crontab.py |
compare_all_files |
16 |
16 |
0 |
0% |
| gpaw/doctools/agts_crontab.py |
compare_files |
5 |
5 |
0 |
0% |
| gpaw/doctools/agts_crontab.py |
compare_images |
16 |
16 |
0 |
0% |
| gpaw/doctools/agts_crontab.py |
compare_text |
39 |
39 |
0 |
0% |
| gpaw/doctools/agts_crontab.py |
(no function) |
13 |
2 |
0 |
85% |
| gpaw/doctools/build_web_page.py |
build |
16 |
16 |
0 |
0% |
| gpaw/doctools/build_web_page.py |
build_all |
6 |
6 |
0 |
0% |
| gpaw/doctools/build_web_page.py |
(no function) |
10 |
1 |
0 |
90% |
| gpaw/doctools/codegraph.py |
create_nodes |
33 |
0 |
0 |
100% |
| gpaw/doctools/codegraph.py |
create_node |
8 |
0 |
0 |
100% |
| gpaw/doctools/codegraph.py |
Node.__init__ |
7 |
0 |
0 |
100% |
| gpaw/doctools/codegraph.py |
Node.__repr__ |
1 |
0 |
0 |
100% |
| gpaw/doctools/codegraph.py |
Node.nodes |
3 |
0 |
0 |
100% |
| gpaw/doctools/codegraph.py |
Node.keys |
1 |
0 |
0 |
100% |
| gpaw/doctools/codegraph.py |
Node.superclass |
1 |
0 |
0 |
100% |
| gpaw/doctools/codegraph.py |
Node.fix |
11 |
0 |
0 |
100% |
| gpaw/doctools/codegraph.py |
Node.color |
3 |
0 |
0 |
100% |
| gpaw/doctools/codegraph.py |
Node.plot |
6 |
0 |
0 |
100% |
| gpaw/doctools/codegraph.py |
add_type |
2 |
0 |
0 |
100% |
| gpaw/doctools/codegraph.py |
plot_graph |
17 |
0 |
0 |
100% |
| gpaw/doctools/codegraph.py |
abc |
9 |
0 |
0 |
100% |
| gpaw/doctools/codegraph.py |
abc.A.__init__ |
2 |
0 |
0 |
100% |
| gpaw/doctools/codegraph.py |
abc.A.m |
1 |
1 |
0 |
0% |
| gpaw/doctools/codegraph.py |
code |
21 |
0 |
0 |
100% |
| gpaw/doctools/codegraph.py |
code.Atoms.__init__ |
1 |
0 |
0 |
100% |
| gpaw/doctools/codegraph.py |
code.include |
5 |
0 |
0 |
100% |
| gpaw/doctools/codegraph.py |
builders |
6 |
0 |
0 |
100% |
| gpaw/doctools/codegraph.py |
aa |
10 |
3 |
0 |
70% |
| gpaw/doctools/codegraph.py |
main |
4 |
0 |
0 |
100% |
| gpaw/doctools/codegraph.py |
(no function) |
28 |
1 |
0 |
96% |
| gpaw/domain.py |
Domain.__init__ |
13 |
0 |
0 |
100% |
| gpaw/domain.py |
Domain.set_decomposition |
9 |
1 |
0 |
89% |
| gpaw/domain.py |
Domain.get_ranks_from_positions |
4 |
1 |
0 |
75% |
| gpaw/domain.py |
Domain.get_rank_from_position |
1 |
0 |
0 |
100% |
| gpaw/domain.py |
Domain.get_rank_from_processor_position |
1 |
0 |
0 |
100% |
| gpaw/domain.py |
Domain.get_processor_position_from_rank |
5 |
0 |
0 |
100% |
| gpaw/domain.py |
Domain.find_neighbor_processors |
13 |
0 |
0 |
100% |
| gpaw/domain.py |
decompose_domain |
31 |
29 |
0 |
6% |
| gpaw/domain.py |
factorizations |
13 |
13 |
0 |
0% |
| gpaw/domain.py |
prims |
6 |
6 |
0 |
0% |
| gpaw/domain.py |
(no function) |
14 |
0 |
0 |
100% |
| gpaw/dos.py |
IBZWaveFunctions.__init__ |
4 |
0 |
0 |
100% |
| gpaw/dos.py |
IBZWaveFunctions.weights |
1 |
0 |
0 |
100% |
| gpaw/dos.py |
IBZWaveFunctions.eigenvalues |
3 |
0 |
0 |
100% |
| gpaw/dos.py |
IBZWaveFunctions.pdos_weights |
10 |
0 |
0 |
100% |
| gpaw/dos.py |
get_projector_numbers |
8 |
0 |
0 |
100% |
| gpaw/dos.py |
gaussian_dos |
9 |
0 |
0 |
100% |
| gpaw/dos.py |
linear_tetrahedron_dos |
10 |
2 |
0 |
80% |
| gpaw/dos.py |
DOSCalculator.__init__ |
14 |
0 |
0 |
100% |
| gpaw/dos.py |
DOSCalculator.get_energies |
3 |
0 |
0 |
100% |
| gpaw/dos.py |
DOSCalculator.from_calculator |
8 |
1 |
0 |
88% |
| gpaw/dos.py |
DOSCalculator.calculate |
4 |
0 |
0 |
100% |
| gpaw/dos.py |
DOSCalculator.raw_dos |
5 |
0 |
0 |
100% |
| gpaw/dos.py |
DOSCalculator.raw_pdos |
9 |
1 |
0 |
89% |
| gpaw/dos.py |
(no function) |
27 |
2 |
0 |
93% |
| gpaw/dscf.py |
dscf_calculation |
13 |
3 |
0 |
77% |
| gpaw/dscf.py |
OccupationsDSCF.__init__ |
8 |
0 |
0 |
100% |
| gpaw/dscf.py |
OccupationsDSCF.calculate |
18 |
1 |
0 |
94% |
| gpaw/dscf.py |
OccupationsDSCF.calculate_band_energy |
5 |
0 |
0 |
100% |
| gpaw/dscf.py |
MolecularOrbital.__init__ |
4 |
0 |
0 |
100% |
| gpaw/dscf.py |
MolecularOrbital.expand |
24 |
1 |
0 |
96% |
| gpaw/dscf.py |
AEOrbital.__init__ |
12 |
12 |
0 |
0% |
| gpaw/dscf.py |
AEOrbital.expand |
41 |
41 |
0 |
0% |
| gpaw/dscf.py |
(no function) |
17 |
0 |
0 |
100% |
| gpaw/eigensolvers/__init__.py |
get_eigensolver |
16 |
0 |
0 |
100% |
| gpaw/eigensolvers/__init__.py |
(no function) |
8 |
0 |
0 |
100% |
| gpaw/eigensolvers/cg.py |
CG.__init__ |
6 |
0 |
0 |
100% |
| gpaw/eigensolvers/cg.py |
CG.__repr__ |
1 |
0 |
0 |
100% |
| gpaw/eigensolvers/cg.py |
CG.todict |
1 |
0 |
0 |
100% |
| gpaw/eigensolvers/cg.py |
CG.initialize |
5 |
2 |
0 |
60% |
| gpaw/eigensolvers/cg.py |
CG.iterate_one_k_point |
109 |
0 |
0 |
100% |
| gpaw/eigensolvers/cg.py |
(no function) |
13 |
0 |
0 |
100% |
| gpaw/eigensolvers/davidson.py |
DummyArray.__getitem__ |
1 |
1 |
0 |
0% |
| gpaw/eigensolvers/davidson.py |
Davidson.__init__ |
7 |
0 |
0 |
100% |
| gpaw/eigensolvers/davidson.py |
Davidson.__repr__ |
1 |
0 |
0 |
100% |
| gpaw/eigensolvers/davidson.py |
Davidson.todict |
1 |
0 |
0 |
100% |
| gpaw/eigensolvers/davidson.py |
Davidson.initialize |
11 |
0 |
0 |
100% |
| gpaw/eigensolvers/davidson.py |
Davidson.estimate_memory |
7 |
0 |
0 |
100% |
| gpaw/eigensolvers/davidson.py |
Davidson.iterate_one_k_point |
92 |
4 |
0 |
96% |
| gpaw/eigensolvers/davidson.py |
Davidson.iterate_one_k_point.integrate |
3 |
0 |
0 |
100% |
| gpaw/eigensolvers/davidson.py |
Davidson.iterate_one_k_point.copy |
6 |
0 |
0 |
100% |
| gpaw/eigensolvers/davidson.py |
(no function) |
18 |
0 |
0 |
100% |
| gpaw/eigensolvers/diagonalizerbackend.py |
ScipyDiagonalizer.__init__ |
1 |
0 |
0 |
100% |
| gpaw/eigensolvers/diagonalizerbackend.py |
ScipyDiagonalizer.diagonalize |
3 |
0 |
0 |
100% |
| gpaw/eigensolvers/diagonalizerbackend.py |
DistributedBlacsDiagonalizer.__init__ |
9 |
0 |
0 |
100% |
| gpaw/eigensolvers/diagonalizerbackend.py |
DistributedBlacsDiagonalizer.diagonalize |
20 |
0 |
0 |
100% |
| gpaw/eigensolvers/diagonalizerbackend.py |
DistributedBlacsDiagonalizer._eigh |
1 |
1 |
0 |
0% |
| gpaw/eigensolvers/diagonalizerbackend.py |
ScalapackDiagonalizer._eigh |
1 |
0 |
0 |
100% |
| gpaw/eigensolvers/diagonalizerbackend.py |
ElpaDiagonalizer.elpa |
1 |
0 |
0 |
100% |
| gpaw/eigensolvers/diagonalizerbackend.py |
ElpaDiagonalizer._eigh |
1 |
0 |
0 |
100% |
| gpaw/eigensolvers/diagonalizerbackend.py |
(no function) |
24 |
0 |
0 |
100% |
| gpaw/eigensolvers/direct.py |
DirectPW.__init__ |
1 |
0 |
0 |
100% |
| gpaw/eigensolvers/direct.py |
DirectPW.iterate_one_k_point |
12 |
0 |
0 |
100% |
| gpaw/eigensolvers/direct.py |
DirectPW.__repr__ |
1 |
0 |
0 |
100% |
| gpaw/eigensolvers/direct.py |
(no function) |
7 |
0 |
0 |
100% |
| gpaw/eigensolvers/eigensolver.py |
reshape |
1 |
1 |
0 |
0% |
| gpaw/eigensolvers/eigensolver.py |
Eigensolver.__init__ |
6 |
0 |
0 |
100% |
| gpaw/eigensolvers/eigensolver.py |
Eigensolver.initialize |
17 |
1 |
0 |
94% |
| gpaw/eigensolvers/eigensolver.py |
Eigensolver.reset |
1 |
0 |
0 |
100% |
| gpaw/eigensolvers/eigensolver.py |
Eigensolver.weights |
36 |
7 |
0 |
81% |
| gpaw/eigensolvers/eigensolver.py |
Eigensolver.iterate |
16 |
0 |
0 |
100% |
| gpaw/eigensolvers/eigensolver.py |
Eigensolver.iterate_one_k_point |
1 |
1 |
0 |
0% |
| gpaw/eigensolvers/eigensolver.py |
Eigensolver.calculate_residuals |
7 |
0 |
0 |
100% |
| gpaw/eigensolvers/eigensolver.py |
Eigensolver.subspace_diagonalize |
29 |
2 |
0 |
93% |
| gpaw/eigensolvers/eigensolver.py |
Eigensolver.estimate_memory |
9 |
0 |
0 |
100% |
| gpaw/eigensolvers/eigensolver.py |
(no function) |
21 |
0 |
0 |
100% |
| gpaw/eigensolvers/rmmdiis.py |
RMMDIIS.__init__ |
10 |
2 |
0 |
80% |
| gpaw/eigensolvers/rmmdiis.py |
RMMDIIS.todict |
1 |
0 |
0 |
100% |
| gpaw/eigensolvers/rmmdiis.py |
RMMDIIS.initialize |
6 |
0 |
0 |
100% |
| gpaw/eigensolvers/rmmdiis.py |
RMMDIIS.iterate_one_k_point |
120 |
7 |
0 |
94% |
| gpaw/eigensolvers/rmmdiis.py |
RMMDIIS.iterate_one_k_point.integrate |
1 |
0 |
0 |
100% |
| gpaw/eigensolvers/rmmdiis.py |
RMMDIIS.__repr__ |
8 |
0 |
0 |
100% |
| gpaw/eigensolvers/rmmdiis.py |
(no function) |
10 |
0 |
0 |
100% |
| gpaw/electrostatic_potential.py |
ElectrostaticPotential.__init__ |
8 |
8 |
0 |
0% |
| gpaw/electrostatic_potential.py |
ElectrostaticPotential.from_calculation |
4 |
4 |
0 |
0% |
| gpaw/electrostatic_potential.py |
ElectrostaticPotential.atomic_potentials |
2 |
2 |
0 |
0% |
| gpaw/electrostatic_potential.py |
ElectrostaticPotential.atomic_corrections |
7 |
7 |
0 |
0% |
| gpaw/electrostatic_potential.py |
ElectrostaticPotential.pseudo_potential |
1 |
1 |
0 |
0% |
| gpaw/electrostatic_potential.py |
ElectrostaticPotential._pseudo_potential |
10 |
10 |
0 |
0% |
| gpaw/electrostatic_potential.py |
ElectrostaticPotential.all_electron_potential |
24 |
24 |
0 |
0% |
| gpaw/electrostatic_potential.py |
(no function) |
23 |
1 |
0 |
96% |
| gpaw/elf.py |
elf |
16 |
3 |
0 |
81% |
| gpaw/elf.py |
elf_from_dft_calculation |
16 |
1 |
0 |
94% |
| gpaw/elf.py |
(no function) |
12 |
2 |
0 |
83% |
| gpaw/elph/__init__.py |
(no function) |
6 |
0 |
0 |
100% |
| gpaw/elph/displacements.py |
DisplacementRunner.__init__ |
2 |
0 |
0 |
100% |
| gpaw/elph/displacements.py |
DisplacementRunner.calculate |
1 |
0 |
0 |
100% |
| gpaw/elph/displacements.py |
DisplacementRunner.__call__ |
29 |
4 |
0 |
86% |
| gpaw/elph/displacements.py |
DisplacementRunner.save_info |
4 |
0 |
0 |
100% |
| gpaw/elph/displacements.py |
DisplacementRunner.run |
2 |
0 |
0 |
100% |
| gpaw/elph/displacements.py |
(no function) |
14 |
0 |
0 |
100% |
| gpaw/elph/filter.py |
fourier_filter |
34 |
34 |
0 |
0% |
| gpaw/elph/filter.py |
(no function) |
7 |
0 |
0 |
100% |
| gpaw/elph/gmatrix.py |
ElectronPhononMatrix.__init__ |
16 |
1 |
0 |
94% |
| gpaw/elph/gmatrix.py |
ElectronPhononMatrix._set_supercell_cache |
7 |
2 |
0 |
71% |
| gpaw/elph/gmatrix.py |
ElectronPhononMatrix._set_phonon_cache |
13 |
2 |
0 |
85% |
| gpaw/elph/gmatrix.py |
ElectronPhononMatrix._read_phonon_cache |
2 |
0 |
0 |
100% |
| gpaw/elph/gmatrix.py |
ElectronPhononMatrix._yield_g_NNMM_as_needed |
1 |
0 |
0 |
100% |
| gpaw/elph/gmatrix.py |
ElectronPhononMatrix._yield_g_NNMM_from_var |
1 |
1 |
0 |
0% |
| gpaw/elph/gmatrix.py |
ElectronPhononMatrix._get_lattice_vectors |
3 |
0 |
0 |
100% |
| gpaw/elph/gmatrix.py |
ElectronPhononMatrix._gather_all_wfc |
5 |
0 |
0 |
100% |
| gpaw/elph/gmatrix.py |
ElectronPhononMatrix._bloch_matrix |
44 |
16 |
0 |
64% |
| gpaw/elph/gmatrix.py |
ElectronPhononMatrix._precalculate_ket |
10 |
0 |
0 |
100% |
| gpaw/elph/gmatrix.py |
ElectronPhononMatrix.bloch_matrix |
29 |
2 |
0 |
93% |
| gpaw/elph/gmatrix.py |
ElectronPhononMatrix.__del__ |
5 |
2 |
0 |
60% |
| gpaw/elph/gmatrix.py |
(no function) |
28 |
0 |
0 |
100% |
| gpaw/elph/gpts.py |
obtain_gpts_suggestion |
14 |
2 |
0 |
86% |
| gpaw/elph/gpts.py |
main |
20 |
2 |
0 |
90% |
| gpaw/elph/gpts.py |
(no function) |
10 |
1 |
0 |
90% |
| gpaw/elph/raman_calculator.py |
ResonantRamanCalculator.__init__ |
25 |
1 |
0 |
96% |
| gpaw/elph/raman_calculator.py |
ResonantRamanCalculator.resonant_term |
9 |
0 |
0 |
100% |
| gpaw/elph/raman_calculator.py |
ResonantRamanCalculator.calculate |
31 |
4 |
0 |
87% |
| gpaw/elph/raman_calculator.py |
ResonantRamanCalculator.calculate_raman_tensor |
8 |
1 |
0 |
88% |
| gpaw/elph/raman_calculator.py |
ResonantRamanCalculator.nm_to_eV |
1 |
1 |
0 |
0% |
| gpaw/elph/raman_calculator.py |
(no function) |
12 |
0 |
0 |
100% |
| gpaw/elph/raman_data.py |
gaussian |
2 |
2 |
0 |
0% |
| gpaw/elph/raman_data.py |
RamanData.__init__ |
5 |
5 |
0 |
0% |
| gpaw/elph/raman_data.py |
RamanData.calculate_raman_intensity |
15 |
15 |
0 |
0% |
| gpaw/elph/raman_data.py |
RamanData.calculate_raman_spectrum |
10 |
10 |
0 |
0% |
| gpaw/elph/raman_data.py |
RamanData.plot_raman |
31 |
31 |
0 |
0% |
| gpaw/elph/raman_data.py |
RamanData.eVtorcm |
1 |
1 |
0 |
0% |
| gpaw/elph/raman_data.py |
(no function) |
14 |
0 |
0 |
100% |
| gpaw/elph/supercell.py |
Supercell.__init__ |
6 |
0 |
0 |
100% |
| gpaw/elph/supercell.py |
Supercell._calculate_supercell_entry |
38 |
3 |
0 |
92% |
| gpaw/elph/supercell.py |
Supercell.calculate_supercell_matrix |
57 |
7 |
0 |
88% |
| gpaw/elph/supercell.py |
Supercell.set_basis_info |
10 |
2 |
0 |
80% |
| gpaw/elph/supercell.py |
Supercell.calculate_gradient |
26 |
2 |
0 |
92% |
| gpaw/elph/supercell.py |
Supercell.load_supercell_matrix |
13 |
2 |
0 |
85% |
| gpaw/elph/supercell.py |
(no function) |
24 |
0 |
0 |
100% |
| gpaw/external.py |
_register_known_potentials |
5 |
0 |
0 |
100% |
| gpaw/external.py |
create_external_potential |
3 |
0 |
0 |
100% |
| gpaw/external.py |
ExternalPotential.get_potential |
4 |
0 |
0 |
100% |
| gpaw/external.py |
ExternalPotential.get_potentialq |
5 |
0 |
0 |
100% |
| gpaw/external.py |
ExternalPotential.calculate_potential |
1 |
1 |
0 |
0% |
| gpaw/external.py |
ExternalPotential.get_name |
1 |
0 |
0 |
100% |
| gpaw/external.py |
ExternalPotential.update_potential_pw |
7 |
1 |
0 |
86% |
| gpaw/external.py |
ExternalPotential.update_atomic_hamiltonians_pw |
2 |
0 |
0 |
100% |
| gpaw/external.py |
ExternalPotential.paw_correction |
1 |
0 |
0 |
100% |
| gpaw/external.py |
ExternalPotential.derivative_pw |
2 |
2 |
0 |
0% |
| gpaw/external.py |
NoExternalPotential.__str__ |
1 |
0 |
0 |
100% |
| gpaw/external.py |
NoExternalPotential.update_potential_pw |
4 |
0 |
0 |
100% |
| gpaw/external.py |
NoExternalPotential.update_atomic_hamiltonians_pw |
1 |
0 |
0 |
100% |
| gpaw/external.py |
NoExternalPotential.derivative_pw |
1 |
0 |
0 |
100% |
| gpaw/external.py |
ConstantPotential.__init__ |
2 |
0 |
0 |
100% |
| gpaw/external.py |
ConstantPotential.__str__ |
1 |
0 |
0 |
100% |
| gpaw/external.py |
ConstantPotential.calculate_potential |
1 |
0 |
0 |
100% |
| gpaw/external.py |
ConstantPotential.todict |
1 |
0 |
0 |
100% |
| gpaw/external.py |
ConstantElectricField.__init__ |
6 |
0 |
0 |
100% |
| gpaw/external.py |
ConstantElectricField.__str__ |
1 |
0 |
0 |
100% |
| gpaw/external.py |
ConstantElectricField.calculate_potential |
7 |
0 |
0 |
100% |
| gpaw/external.py |
ConstantElectricField.todict |
1 |
0 |
0 |
100% |
| gpaw/external.py |
ProductPotential.__init__ |
1 |
1 |
0 |
0% |
| gpaw/external.py |
ProductPotential.calculate_potential |
3 |
3 |
0 |
0% |
| gpaw/external.py |
ProductPotential.__str__ |
1 |
1 |
0 |
0% |
| gpaw/external.py |
ProductPotential.todict |
1 |
1 |
0 |
0% |
| gpaw/external.py |
PointChargePotential.__init__ |
12 |
2 |
0 |
83% |
| gpaw/external.py |
PointChargePotential.todict |
1 |
0 |
0 |
100% |
| gpaw/external.py |
PointChargePotential.__str__ |
1 |
0 |
0 |
100% |
| gpaw/external.py |
PointChargePotential.set_positions |
5 |
1 |
0 |
80% |
| gpaw/external.py |
PointChargePotential._molecule_distances |
2 |
1 |
0 |
50% |
| gpaw/external.py |
PointChargePotential.calculate_potential |
4 |
0 |
0 |
100% |
| gpaw/external.py |
PointChargePotential.get_forces |
7 |
0 |
0 |
100% |
| gpaw/external.py |
CDFTPotential.__init__ |
5 |
0 |
0 |
100% |
| gpaw/external.py |
CDFTPotential.todict |
1 |
1 |
0 |
0% |
| gpaw/external.py |
StepPotentialz.__init__ |
4 |
0 |
0 |
100% |
| gpaw/external.py |
StepPotentialz.__str__ |
1 |
0 |
0 |
100% |
| gpaw/external.py |
StepPotentialz.calculate_potential |
2 |
0 |
0 |
100% |
| gpaw/external.py |
StepPotentialz.todict |
1 |
0 |
0 |
100% |
| gpaw/external.py |
PotentialCollection.__init__ |
5 |
0 |
0 |
100% |
| gpaw/external.py |
PotentialCollection.__str__ |
4 |
0 |
0 |
100% |
| gpaw/external.py |
PotentialCollection.calculate_potential |
5 |
0 |
0 |
100% |
| gpaw/external.py |
PotentialCollection.todict |
1 |
0 |
0 |
100% |
| gpaw/external.py |
static_polarizability |
13 |
0 |
0 |
100% |
| gpaw/external.py |
(no function) |
65 |
0 |
0 |
100% |
| gpaw/fd_operators.py |
FDOperator.__init__ |
35 |
1 |
0 |
97% |
| gpaw/fd_operators.py |
FDOperator.__str__ |
1 |
1 |
0 |
0% |
| gpaw/fd_operators.py |
FDOperator.__call__ |
10 |
3 |
0 |
70% |
| gpaw/fd_operators.py |
FDOperator.apply |
5 |
1 |
0 |
80% |
| gpaw/fd_operators.py |
FDOperator.relax |
5 |
1 |
0 |
80% |
| gpaw/fd_operators.py |
FDOperator.get_diagonal_element |
1 |
0 |
0 |
100% |
| gpaw/fd_operators.py |
FDOperator.get_async_sizes |
1 |
1 |
0 |
0% |
| gpaw/fd_operators.py |
FDOperator.apply |
8 |
0 |
0 |
100% |
| gpaw/fd_operators.py |
FDOperator.relax |
8 |
0 |
0 |
100% |
| gpaw/fd_operators.py |
Laplace |
3 |
1 |
0 |
67% |
| gpaw/fd_operators.py |
GUCLaplace.__init__ |
24 |
1 |
0 |
96% |
| gpaw/fd_operators.py |
find_neighbors |
14 |
0 |
0 |
100% |
| gpaw/fd_operators.py |
Gradient.__init__ |
30 |
1 |
0 |
97% |
| gpaw/fd_operators.py |
LaplaceA.__init__ |
8 |
0 |
0 |
100% |
| gpaw/fd_operators.py |
LaplaceB.__init__ |
3 |
0 |
0 |
100% |
| gpaw/fd_operators.py |
FTLaplace.__init__ |
13 |
13 |
0 |
0% |
| gpaw/fd_operators.py |
FTLaplace.apply |
4 |
4 |
0 |
0% |
| gpaw/fd_operators.py |
FTLaplace.get_diagonal_element |
1 |
1 |
0 |
0% |
| gpaw/fd_operators.py |
OldGradient.__init__ |
19 |
19 |
0 |
0% |
| gpaw/fd_operators.py |
(no function) |
46 |
1 |
0 |
98% |
| gpaw/fdtd/poisson_fdtd.py |
QSFDTD.__init__ |
39 |
13 |
0 |
67% |
| gpaw/fdtd/poisson_fdtd.py |
QSFDTD.ground_state |
4 |
0 |
0 |
100% |
| gpaw/fdtd/poisson_fdtd.py |
QSFDTD.write |
3 |
0 |
0 |
100% |
| gpaw/fdtd/poisson_fdtd.py |
QSFDTD.time_propagation |
10 |
0 |
0 |
100% |
| gpaw/fdtd/poisson_fdtd.py |
PoissonOrganizer.__init__ |
6 |
0 |
0 |
100% |
| gpaw/fdtd/poisson_fdtd.py |
SimpleMixer.__init__ |
2 |
0 |
0 |
100% |
| gpaw/fdtd/poisson_fdtd.py |
SimpleMixer.mix |
2 |
0 |
0 |
100% |
| gpaw/fdtd/poisson_fdtd.py |
FDTDPoissonSolver.__init__ |
32 |
0 |
0 |
100% |
| gpaw/fdtd/poisson_fdtd.py |
FDTDPoissonSolver.todict |
2 |
0 |
0 |
100% |
| gpaw/fdtd/poisson_fdtd.py |
FDTDPoissonSolver.get_description |
1 |
0 |
0 |
100% |
| gpaw/fdtd/poisson_fdtd.py |
FDTDPoissonSolver.initialize_clgd |
5 |
0 |
0 |
100% |
| gpaw/fdtd/poisson_fdtd.py |
FDTDPoissonSolver.estimate_memory |
1 |
0 |
0 |
100% |
| gpaw/fdtd/poisson_fdtd.py |
FDTDPoissonSolver.get_stencil |
3 |
3 |
0 |
0% |
| gpaw/fdtd/poisson_fdtd.py |
FDTDPoissonSolver.set_grid_descriptor |
34 |
7 |
0 |
79% |
| gpaw/fdtd/poisson_fdtd.py |
FDTDPoissonSolver.cut_cell |
39 |
5 |
0 |
87% |
| gpaw/fdtd/poisson_fdtd.py |
FDTDPoissonSolver.create_subsystems |
60 |
0 |
0 |
100% |
| gpaw/fdtd/poisson_fdtd.py |
FDTDPoissonSolver.print_messages |
6 |
0 |
0 |
100% |
| gpaw/fdtd/poisson_fdtd.py |
FDTDPoissonSolver.set_time_step |
1 |
0 |
0 |
100% |
| gpaw/fdtd/poisson_fdtd.py |
FDTDPoissonSolver.set_time |
1 |
0 |
0 |
100% |
| gpaw/fdtd/poisson_fdtd.py |
FDTDPoissonSolver.set_kick |
1 |
0 |
0 |
100% |
| gpaw/fdtd/poisson_fdtd.py |
FDTDPoissonSolver.finalize_propagation |
1 |
0 |
0 |
100% |
| gpaw/fdtd/poisson_fdtd.py |
FDTDPoissonSolver.set_calculation_mode |
2 |
0 |
0 |
100% |
| gpaw/fdtd/poisson_fdtd.py |
FDTDPoissonSolver.set_density |
1 |
0 |
0 |
100% |
| gpaw/fdtd/poisson_fdtd.py |
FDTDPoissonSolver.get_density |
3 |
3 |
0 |
0% |
| gpaw/fdtd/poisson_fdtd.py |
FDTDPoissonSolver.get_combined_data |
32 |
5 |
0 |
84% |
| gpaw/fdtd/poisson_fdtd.py |
FDTDPoissonSolver.solve_solve |
4 |
0 |
0 |
100% |
| gpaw/fdtd/poisson_fdtd.py |
FDTDPoissonSolver.solve_iterate |
21 |
2 |
0 |
90% |
| gpaw/fdtd/poisson_fdtd.py |
FDTDPoissonSolver.solve_propagate |
15 |
0 |
0 |
100% |
| gpaw/fdtd/poisson_fdtd.py |
FDTDPoissonSolver.solve |
13 |
1 |
0 |
92% |
| gpaw/fdtd/poisson_fdtd.py |
FDTDPoissonSolver.get_classical_dipole_moment |
2 |
0 |
0 |
100% |
| gpaw/fdtd/poisson_fdtd.py |
FDTDPoissonSolver.get_quantum_dipole_moment |
1 |
0 |
0 |
100% |
| gpaw/fdtd/poisson_fdtd.py |
FDTDPoissonSolver.read |
49 |
5 |
0 |
90% |
| gpaw/fdtd/poisson_fdtd.py |
FDTDPoissonSolver.write |
10 |
0 |
0 |
100% |
| gpaw/fdtd/poisson_fdtd.py |
(no function) |
52 |
0 |
0 |
100% |
| gpaw/fdtd/polarizable_material.py |
PolarizableMaterial.__init__ |
5 |
0 |
0 |
100% |
| gpaw/fdtd/polarizable_material.py |
PolarizableMaterial.add_component |
1 |
0 |
0 |
100% |
| gpaw/fdtd/polarizable_material.py |
PolarizableMaterial.permittivity_value |
1 |
1 |
0 |
0% |
| gpaw/fdtd/polarizable_material.py |
PolarizableMaterial.get_static_permittivity |
1 |
1 |
0 |
0% |
| gpaw/fdtd/polarizable_material.py |
PolarizableMaterial.initialize |
23 |
2 |
0 |
91% |
| gpaw/fdtd/polarizable_material.py |
PolarizableMaterial.read |
6 |
0 |
0 |
100% |
| gpaw/fdtd/polarizable_material.py |
PolarizableMaterial.write |
1 |
0 |
0 |
100% |
| gpaw/fdtd/polarizable_material.py |
PolarizableMaterial.apply_mask |
18 |
3 |
0 |
83% |
| gpaw/fdtd/polarizable_material.py |
PolarizableMaterial.solve_electric_field |
2 |
0 |
0 |
100% |
| gpaw/fdtd/polarizable_material.py |
PolarizableMaterial.solve_rho |
5 |
0 |
0 |
100% |
| gpaw/fdtd/polarizable_material.py |
PolarizableMaterial.solve_polarizations |
3 |
0 |
0 |
100% |
| gpaw/fdtd/polarizable_material.py |
PolarizableMaterial.propagate_polarizations |
3 |
0 |
0 |
100% |
| gpaw/fdtd/polarizable_material.py |
PolarizableMaterial.propagate_currents |
5 |
0 |
0 |
100% |
| gpaw/fdtd/polarizable_material.py |
PolarizableMaterial.kick_electric_field |
2 |
0 |
0 |
100% |
| gpaw/fdtd/polarizable_material.py |
PolarizableBox.__init__ |
7 |
0 |
0 |
100% |
| gpaw/fdtd/polarizable_material.py |
PolarizableBox.get_mask |
2 |
0 |
0 |
100% |
| gpaw/fdtd/polarizable_material.py |
PolarizableAtomisticRegion.__init__ |
14 |
14 |
0 |
0% |
| gpaw/fdtd/polarizable_material.py |
PolarizableAtomisticRegion.get_mask |
5 |
5 |
0 |
0% |
| gpaw/fdtd/polarizable_material.py |
PolarizableSphere.__init__ |
6 |
0 |
0 |
100% |
| gpaw/fdtd/polarizable_material.py |
PolarizableSphere.get_mask |
2 |
0 |
0 |
100% |
| gpaw/fdtd/polarizable_material.py |
PolarizableEllipsoid.__init__ |
7 |
0 |
0 |
100% |
| gpaw/fdtd/polarizable_material.py |
PolarizableEllipsoid.get_mask |
2 |
0 |
0 |
100% |
| gpaw/fdtd/polarizable_material.py |
PolarizableRod.__init__ |
12 |
0 |
0 |
100% |
| gpaw/fdtd/polarizable_material.py |
PolarizableRod.get_mask |
31 |
0 |
0 |
100% |
| gpaw/fdtd/polarizable_material.py |
PolarizableTetrahedron.__init__ |
9 |
0 |
0 |
100% |
| gpaw/fdtd/polarizable_material.py |
PolarizableTetrahedron.determinant_value |
3 |
3 |
0 |
0% |
| gpaw/fdtd/polarizable_material.py |
PolarizableTetrahedron.get_mask |
23 |
0 |
0 |
100% |
| gpaw/fdtd/polarizable_material.py |
LorentzOscillator.__init__ |
3 |
0 |
0 |
100% |
| gpaw/fdtd/polarizable_material.py |
LorentzOscillator.value |
1 |
0 |
0 |
100% |
| gpaw/fdtd/polarizable_material.py |
Permittivity.__init__ |
19 |
10 |
0 |
47% |
| gpaw/fdtd/polarizable_material.py |
Permittivity.value |
1 |
0 |
0 |
100% |
| gpaw/fdtd/polarizable_material.py |
Permittivity.data |
1 |
1 |
0 |
0% |
| gpaw/fdtd/polarizable_material.py |
Permittivity.data_eVA |
1 |
0 |
0 |
100% |
| gpaw/fdtd/polarizable_material.py |
PermittivityPlus.__init__ |
6 |
0 |
0 |
100% |
| gpaw/fdtd/polarizable_material.py |
(no function) |
48 |
0 |
0 |
100% |
| gpaw/fdtd/potential_couplers.py |
PotentialCoupler.__init__ |
14 |
0 |
0 |
100% |
| gpaw/fdtd/potential_couplers.py |
PotentialCoupler.couple |
3 |
0 |
0 |
100% |
| gpaw/fdtd/potential_couplers.py |
RefinerPotentialCoupler.__init__ |
1 |
0 |
0 |
100% |
| gpaw/fdtd/potential_couplers.py |
RefinerPotentialCoupler.getPotential |
35 |
0 |
0 |
100% |
| gpaw/fdtd/potential_couplers.py |
MultipolesPotentialCoupler.__init__ |
1 |
1 |
0 |
0% |
| gpaw/fdtd/potential_couplers.py |
(no function) |
8 |
0 |
0 |
100% |
| gpaw/ffbt.py |
generate_bessel_coefficients |
7 |
0 |
0 |
100% |
| gpaw/ffbt.py |
spherical_bessel |
10 |
0 |
0 |
100% |
| gpaw/ffbt.py |
ffbt |
13 |
0 |
0 |
100% |
| gpaw/ffbt.py |
rescaled_bessel_limit |
1 |
0 |
0 |
100% |
| gpaw/ffbt.py |
FourierBesselTransformer.__init__ |
7 |
0 |
0 |
100% |
| gpaw/ffbt.py |
FourierBesselTransformer.transform |
5 |
0 |
0 |
100% |
| gpaw/ffbt.py |
FourierBesselTransformer._transform |
1 |
0 |
0 |
100% |
| gpaw/ffbt.py |
FourierBesselTransformer.rescaled_transform |
6 |
0 |
0 |
100% |
| gpaw/ffbt.py |
FourierBesselTransformer.calculate_rescaled_average |
3 |
3 |
0 |
0% |
| gpaw/ffbt.py |
FourierBesselTransformer._calculate_rescaled_average |
2 |
0 |
0 |
100% |
| gpaw/ffbt.py |
rescaled_fourier_bessel_transform |
7 |
0 |
0 |
100% |
| gpaw/ffbt.py |
(no function) |
17 |
0 |
0 |
100% |
| gpaw/fftw.py |
have_fftw |
1 |
0 |
0 |
100% |
| gpaw/fftw.py |
check_fft_size |
6 |
0 |
0 |
100% |
| gpaw/fftw.py |
get_efficient_fft_size |
4 |
0 |
0 |
100% |
| gpaw/fftw.py |
empty |
9 |
0 |
0 |
100% |
| gpaw/fftw.py |
create_plans |
12 |
0 |
0 |
100% |
| gpaw/fftw.py |
FFTPlans.__init__ |
8 |
0 |
0 |
100% |
| gpaw/fftw.py |
FFTPlans.fft |
1 |
1 |
0 |
0% |
| gpaw/fftw.py |
FFTPlans.ifft |
1 |
1 |
0 |
0% |
| gpaw/fftw.py |
FFTPlans.ifft_sphere |
13 |
2 |
0 |
85% |
| gpaw/fftw.py |
FFTPlans.fft_sphere |
4 |
0 |
0 |
100% |
| gpaw/fftw.py |
FFTWPlans.__init__ |
5 |
1 |
0 |
80% |
| gpaw/fftw.py |
FFTWPlans.fft |
1 |
0 |
0 |
100% |
| gpaw/fftw.py |
FFTWPlans.ifft |
1 |
0 |
0 |
100% |
| gpaw/fftw.py |
FFTWPlans.__del__ |
4 |
0 |
0 |
100% |
| gpaw/fftw.py |
NumpyFFTPlans.fft |
3 |
0 |
0 |
100% |
| gpaw/fftw.py |
NumpyFFTPlans.ifft |
3 |
0 |
0 |
100% |
| gpaw/fftw.py |
rfftn_patch |
2 |
2 |
0 |
0% |
| gpaw/fftw.py |
irfftn_patch |
9 |
9 |
0 |
0% |
| gpaw/fftw.py |
CuPyFFTPlans.__init__ |
5 |
0 |
0 |
100% |
| gpaw/fftw.py |
CuPyFFTPlans.fft |
6 |
2 |
0 |
67% |
| gpaw/fftw.py |
CuPyFFTPlans.ifft |
6 |
2 |
0 |
67% |
| gpaw/fftw.py |
CuPyFFTPlans.indices |
6 |
0 |
0 |
100% |
| gpaw/fftw.py |
CuPyFFTPlans.ifft_sphere |
20 |
5 |
0 |
75% |
| gpaw/fftw.py |
CuPyFFTPlans.fft_sphere |
13 |
4 |
0 |
69% |
| gpaw/fftw.py |
check_fftw_inputs |
9 |
0 |
0 |
100% |
| gpaw/fftw.py |
FFTPlan.__init__ |
5 |
0 |
0 |
100% |
| gpaw/fftw.py |
FFTPlan.execute |
1 |
1 |
0 |
0% |
| gpaw/fftw.py |
FFTWPlan.__init__ |
4 |
1 |
0 |
75% |
| gpaw/fftw.py |
FFTWPlan.execute |
1 |
0 |
0 |
100% |
| gpaw/fftw.py |
FFTWPlan.__del__ |
3 |
0 |
0 |
100% |
| gpaw/fftw.py |
NumpyFFTPlan.execute |
9 |
2 |
0 |
78% |
| gpaw/fftw.py |
create_plan |
3 |
0 |
0 |
100% |
| gpaw/fftw.py |
(no function) |
59 |
0 |
0 |
100% |
| gpaw/forces.py |
calculate_forces |
38 |
1 |
0 |
97% |
| gpaw/forces.py |
calculate_forces_using_non_diag_lagr_matrix |
41 |
0 |
0 |
100% |
| gpaw/forces.py |
(no function) |
7 |
0 |
0 |
100% |
| gpaw/fulldiag.py |
fulldiag |
8 |
8 |
0 |
0% |
| gpaw/fulldiag.py |
CLICommand.add_arguments |
3 |
0 |
0 |
100% |
| gpaw/fulldiag.py |
CLICommand.run |
1 |
1 |
0 |
0% |
| gpaw/fulldiag.py |
(no function) |
7 |
0 |
0 |
100% |
| gpaw/gaunt.py |
gaunt |
20 |
0 |
0 |
100% |
| gpaw/gaunt.py |
nabla |
21 |
0 |
0 |
100% |
| gpaw/gaunt.py |
super_gaunt |
9 |
0 |
0 |
100% |
| gpaw/gaunt.py |
(no function) |
10 |
0 |
0 |
100% |
| gpaw/gauss.py |
I |
12 |
12 |
0 |
0% |
| gpaw/gauss.py |
I1 |
36 |
5 |
0 |
86% |
| gpaw/gauss.py |
test_derivatives |
16 |
0 |
0 |
100% |
| gpaw/gauss.py |
Gauss.__init__ |
2 |
0 |
0 |
100% |
| gpaw/gauss.py |
Gauss.get |
1 |
0 |
0 |
100% |
| gpaw/gauss.py |
Gauss.set_width |
3 |
0 |
0 |
100% |
| gpaw/gauss.py |
Gauss.fwhm |
1 |
0 |
0 |
100% |
| gpaw/gauss.py |
Gauss.fwhm |
1 |
1 |
0 |
0% |
| gpaw/gauss.py |
(no function) |
13 |
0 |
0 |
100% |
| gpaw/gpu/__init__.py |
gpu_gemm |
1 |
1 |
0 |
0% |
| gpaw/gpu/__init__.py |
synchronize |
2 |
1 |
0 |
50% |
| gpaw/gpu/__init__.py |
as_np |
3 |
0 |
0 |
100% |
| gpaw/gpu/__init__.py |
as_xp |
8 |
3 |
0 |
62% |
| gpaw/gpu/__init__.py |
einsum |
3 |
0 |
0 |
100% |
| gpaw/gpu/__init__.py |
cupy_eigh |
8 |
5 |
0 |
38% |
| gpaw/gpu/__init__.py |
XP.__init__ |
1 |
0 |
0 |
100% |
| gpaw/gpu/__init__.py |
XP.__getstate__ |
4 |
0 |
0 |
100% |
| gpaw/gpu/__init__.py |
XP.__setstate__ |
2 |
0 |
0 |
100% |
| gpaw/gpu/__init__.py |
T |
5 |
0 |
0 |
100% |
| gpaw/gpu/__init__.py |
(no function) |
164 |
126 |
0 |
23% |
| gpaw/gpu/cpupy/__init__.py |
require |
1 |
1 |
0 |
0% |
| gpaw/gpu/cpupy/__init__.py |
empty |
1 |
0 |
0 |
100% |
| gpaw/gpu/cpupy/__init__.py |
empty_like |
1 |
0 |
0 |
100% |
| gpaw/gpu/cpupy/__init__.py |
zeros |
1 |
0 |
0 |
100% |
| gpaw/gpu/cpupy/__init__.py |
ones |
1 |
0 |
0 |
100% |
| gpaw/gpu/cpupy/__init__.py |
asnumpy |
4 |
2 |
0 |
50% |
| gpaw/gpu/cpupy/__init__.py |
asarray |
5 |
0 |
0 |
100% |
| gpaw/gpu/cpupy/__init__.py |
array |
1 |
0 |
0 |
100% |
| gpaw/gpu/cpupy/__init__.py |
array_split |
1 |
0 |
0 |
100% |
| gpaw/gpu/cpupy/__init__.py |
ascontiguousarray |
1 |
0 |
0 |
100% |
| gpaw/gpu/cpupy/__init__.py |
dot |
1 |
0 |
0 |
100% |
| gpaw/gpu/cpupy/__init__.py |
inner |
1 |
1 |
0 |
0% |
| gpaw/gpu/cpupy/__init__.py |
outer |
1 |
1 |
0 |
0% |
| gpaw/gpu/cpupy/__init__.py |
multiply |
1 |
1 |
0 |
0% |
| gpaw/gpu/cpupy/__init__.py |
negative |
1 |
0 |
0 |
100% |
| gpaw/gpu/cpupy/__init__.py |
einsum |
1 |
0 |
0 |
100% |
| gpaw/gpu/cpupy/__init__.py |
diag |
1 |
0 |
0 |
100% |
| gpaw/gpu/cpupy/__init__.py |
abs |
1 |
0 |
0 |
100% |
| gpaw/gpu/cpupy/__init__.py |
exp |
1 |
0 |
0 |
100% |
| gpaw/gpu/cpupy/__init__.py |
conjugate |
1 |
1 |
0 |
0% |
| gpaw/gpu/cpupy/__init__.py |
log |
1 |
1 |
0 |
0% |
| gpaw/gpu/cpupy/__init__.py |
eye |
1 |
0 |
0 |
100% |
| gpaw/gpu/cpupy/__init__.py |
triu_indices |
2 |
2 |
0 |
0% |
| gpaw/gpu/cpupy/__init__.py |
tri |
1 |
0 |
0 |
100% |
| gpaw/gpu/cpupy/__init__.py |
allclose |
1 |
0 |
0 |
100% |
| gpaw/gpu/cpupy/__init__.py |
moveaxis |
1 |
0 |
0 |
100% |
| gpaw/gpu/cpupy/__init__.py |
vdot |
1 |
0 |
0 |
100% |
| gpaw/gpu/cpupy/__init__.py |
fuse |
1 |
0 |
0 |
100% |
| gpaw/gpu/cpupy/__init__.py |
ndarray.__init__ |
10 |
0 |
0 |
100% |
| gpaw/gpu/cpupy/__init__.py |
ndarray.shape |
1 |
0 |
0 |
100% |
| gpaw/gpu/cpupy/__init__.py |
ndarray.T |
1 |
0 |
0 |
100% |
| gpaw/gpu/cpupy/__init__.py |
ndarray.real |
1 |
0 |
0 |
100% |
| gpaw/gpu/cpupy/__init__.py |
ndarray.imag |
1 |
0 |
0 |
100% |
| gpaw/gpu/cpupy/__init__.py |
ndarray.imag |
3 |
1 |
0 |
67% |
| gpaw/gpu/cpupy/__init__.py |
ndarray.set |
3 |
0 |
0 |
100% |
| gpaw/gpu/cpupy/__init__.py |
ndarray.get |
1 |
0 |
0 |
100% |
| gpaw/gpu/cpupy/__init__.py |
ndarray.copy |
1 |
0 |
0 |
100% |
| gpaw/gpu/cpupy/__init__.py |
ndarray.astype |
1 |
0 |
0 |
100% |
| gpaw/gpu/cpupy/__init__.py |
ndarray.all |
1 |
0 |
0 |
100% |
| gpaw/gpu/cpupy/__init__.py |
ndarray.sum |
3 |
0 |
0 |
100% |
| gpaw/gpu/cpupy/__init__.py |
ndarray.__repr__ |
1 |
0 |
0 |
100% |
| gpaw/gpu/cpupy/__init__.py |
ndarray.__len__ |
1 |
0 |
0 |
100% |
| gpaw/gpu/cpupy/__init__.py |
ndarray.__bool__ |
1 |
0 |
0 |
100% |
| gpaw/gpu/cpupy/__init__.py |
ndarray.__float__ |
1 |
0 |
0 |
100% |
| gpaw/gpu/cpupy/__init__.py |
ndarray.__iter__ |
4 |
0 |
0 |
100% |
| gpaw/gpu/cpupy/__init__.py |
ndarray.mean |
1 |
0 |
0 |
100% |
| gpaw/gpu/cpupy/__init__.py |
ndarray.__setitem__ |
9 |
0 |
0 |
100% |
| gpaw/gpu/cpupy/__init__.py |
ndarray.__setitem__.convert |
1 |
0 |
0 |
100% |
| gpaw/gpu/cpupy/__init__.py |
ndarray.__getitem__ |
6 |
0 |
0 |
100% |
| gpaw/gpu/cpupy/__init__.py |
ndarray.__getitem__.convert |
1 |
0 |
0 |
100% |
| gpaw/gpu/cpupy/__init__.py |
ndarray.__eq__ |
3 |
0 |
0 |
100% |
| gpaw/gpu/cpupy/__init__.py |
ndarray.__ne__ |
3 |
1 |
0 |
67% |
| gpaw/gpu/cpupy/__init__.py |
ndarray.__lt__ |
3 |
3 |
0 |
0% |
| gpaw/gpu/cpupy/__init__.py |
ndarray.__le__ |
3 |
3 |
0 |
0% |
| gpaw/gpu/cpupy/__init__.py |
ndarray.__gt__ |
3 |
3 |
0 |
0% |
| gpaw/gpu/cpupy/__init__.py |
ndarray.__ge__ |
3 |
3 |
0 |
0% |
| gpaw/gpu/cpupy/__init__.py |
ndarray.__neg__ |
1 |
0 |
0 |
100% |
| gpaw/gpu/cpupy/__init__.py |
ndarray.__mul__ |
3 |
0 |
0 |
100% |
| gpaw/gpu/cpupy/__init__.py |
ndarray.__rmul__ |
1 |
0 |
0 |
100% |
| gpaw/gpu/cpupy/__init__.py |
ndarray.__imul__ |
4 |
0 |
0 |
100% |
| gpaw/gpu/cpupy/__init__.py |
ndarray.__truediv__ |
3 |
0 |
0 |
100% |
| gpaw/gpu/cpupy/__init__.py |
ndarray.__pow__ |
1 |
0 |
0 |
100% |
| gpaw/gpu/cpupy/__init__.py |
ndarray.__add__ |
3 |
1 |
0 |
67% |
| gpaw/gpu/cpupy/__init__.py |
ndarray.__sub__ |
3 |
0 |
0 |
100% |
| gpaw/gpu/cpupy/__init__.py |
ndarray.__rsub__ |
1 |
0 |
0 |
100% |
| gpaw/gpu/cpupy/__init__.py |
ndarray.__radd__ |
1 |
0 |
0 |
100% |
| gpaw/gpu/cpupy/__init__.py |
ndarray.__rtruediv__ |
1 |
0 |
0 |
100% |
| gpaw/gpu/cpupy/__init__.py |
ndarray.__iadd__ |
4 |
0 |
0 |
100% |
| gpaw/gpu/cpupy/__init__.py |
ndarray.__isub__ |
4 |
0 |
0 |
100% |
| gpaw/gpu/cpupy/__init__.py |
ndarray.__matmul__ |
1 |
0 |
0 |
100% |
| gpaw/gpu/cpupy/__init__.py |
ndarray.ravel |
1 |
0 |
0 |
100% |
| gpaw/gpu/cpupy/__init__.py |
ndarray.conj |
1 |
0 |
0 |
100% |
| gpaw/gpu/cpupy/__init__.py |
ndarray.reshape |
1 |
0 |
0 |
100% |
| gpaw/gpu/cpupy/__init__.py |
ndarray.view |
1 |
0 |
0 |
100% |
| gpaw/gpu/cpupy/__init__.py |
ndarray.item |
1 |
0 |
0 |
100% |
| gpaw/gpu/cpupy/__init__.py |
ndarray.trace |
1 |
0 |
0 |
100% |
| gpaw/gpu/cpupy/__init__.py |
ndarray.fill |
1 |
0 |
0 |
100% |
| gpaw/gpu/cpupy/__init__.py |
(no function) |
92 |
0 |
0 |
100% |
| gpaw/gpu/cpupy/cublas.py |
syrk |
4 |
4 |
0 |
0% |
| gpaw/gpu/cpupy/cublas.py |
gemm |
2 |
0 |
0 |
100% |
| gpaw/gpu/cpupy/cublas.py |
(no function) |
2 |
0 |
0 |
100% |
| gpaw/gpu/cpupy/fft.py |
fftshift |
2 |
0 |
0 |
100% |
| gpaw/gpu/cpupy/fft.py |
ifftshift |
2 |
0 |
0 |
100% |
| gpaw/gpu/cpupy/fft.py |
(no function) |
3 |
0 |
0 |
100% |
| gpaw/gpu/cpupy/linalg.py |
cholesky |
2 |
0 |
0 |
100% |
| gpaw/gpu/cpupy/linalg.py |
inv |
2 |
0 |
0 |
100% |
| gpaw/gpu/cpupy/linalg.py |
eigh |
3 |
0 |
0 |
100% |
| gpaw/gpu/cpupy/linalg.py |
(no function) |
4 |
0 |
0 |
100% |
| gpaw/gpu/cpupy/random.py |
default_rng |
1 |
0 |
0 |
100% |
| gpaw/gpu/cpupy/random.py |
RNG.__init__ |
1 |
0 |
0 |
100% |
| gpaw/gpu/cpupy/random.py |
RNG.random |
3 |
1 |
0 |
67% |
| gpaw/gpu/cpupy/random.py |
(no function) |
5 |
0 |
0 |
100% |
| gpaw/gpu/cpupyx/__init__.py |
__getattr__ |
4 |
0 |
0 |
100% |
| gpaw/gpu/cpupyx/__init__.py |
(no function) |
1 |
0 |
0 |
100% |
| gpaw/gpu/cpupyx/fft.py |
ifftn |
1 |
0 |
0 |
100% |
| gpaw/gpu/cpupyx/fft.py |
fftn |
1 |
0 |
0 |
100% |
| gpaw/gpu/cpupyx/fft.py |
rfftn |
1 |
0 |
0 |
100% |
| gpaw/gpu/cpupyx/fft.py |
irfftn |
1 |
0 |
0 |
100% |
| gpaw/gpu/cpupyx/fft.py |
(no function) |
6 |
0 |
0 |
100% |
| gpaw/gpu/cpupyx/scipy.py |
(no function) |
3 |
0 |
0 |
100% |
| gpaw/gpu/cpupyx/sparse.py |
csr_matrix |
1 |
1 |
0 |
0% |
| gpaw/gpu/cpupyx/sparse.py |
(no function) |
1 |
0 |
0 |
100% |
| gpaw/gpu/mpi.py |
CuPyMPI.__init__ |
3 |
0 |
0 |
100% |
| gpaw/gpu/mpi.py |
CuPyMPI.__repr__ |
1 |
1 |
0 |
0% |
| gpaw/gpu/mpi.py |
CuPyMPI.sum |
9 |
2 |
0 |
78% |
| gpaw/gpu/mpi.py |
CuPyMPI.sum_scalar |
1 |
0 |
0 |
100% |
| gpaw/gpu/mpi.py |
CuPyMPI.min_scalar |
1 |
0 |
0 |
100% |
| gpaw/gpu/mpi.py |
CuPyMPI.max_scalar |
1 |
0 |
0 |
100% |
| gpaw/gpu/mpi.py |
CuPyMPI.max |
1 |
0 |
0 |
100% |
| gpaw/gpu/mpi.py |
CuPyMPI.all_gather |
1 |
1 |
0 |
0% |
| gpaw/gpu/mpi.py |
CuPyMPI.gather |
8 |
8 |
0 |
0% |
| gpaw/gpu/mpi.py |
CuPyMPI.scatter |
9 |
9 |
0 |
0% |
| gpaw/gpu/mpi.py |
CuPyMPI.broadcast |
6 |
0 |
0 |
100% |
| gpaw/gpu/mpi.py |
CuPyMPI.receive |
8 |
8 |
0 |
0% |
| gpaw/gpu/mpi.py |
CuPyMPI.ssend |
3 |
3 |
0 |
0% |
| gpaw/gpu/mpi.py |
CuPyMPI.send |
6 |
6 |
0 |
0% |
| gpaw/gpu/mpi.py |
CuPyMPI.alltoallv |
3 |
3 |
0 |
0% |
| gpaw/gpu/mpi.py |
CuPyMPI.wait |
5 |
5 |
0 |
0% |
| gpaw/gpu/mpi.py |
CuPyMPI.waitall |
4 |
4 |
0 |
0% |
| gpaw/gpu/mpi.py |
CuPyMPI.get_c_object |
1 |
1 |
0 |
0% |
| gpaw/gpu/mpi.py |
CuPyRequest.__init__ |
3 |
3 |
0 |
0% |
| gpaw/gpu/mpi.py |
(no function) |
23 |
0 |
0 |
100% |
| gpaw/grid_descriptor.py |
GridDescriptor.__init__ |
30 |
2 |
0 |
93% |
| gpaw/grid_descriptor.py |
GridDescriptor.__repr__ |
5 |
5 |
0 |
0% |
| gpaw/grid_descriptor.py |
GridDescriptor.new_descriptor |
11 |
0 |
0 |
100% |
| gpaw/grid_descriptor.py |
GridDescriptor.coords |
5 |
0 |
0 |
100% |
| gpaw/grid_descriptor.py |
GridDescriptor.get_grid_spacings |
2 |
0 |
0 |
100% |
| gpaw/grid_descriptor.py |
GridDescriptor.get_size_of_global_array |
3 |
0 |
0 |
100% |
| gpaw/grid_descriptor.py |
GridDescriptor.flat_index |
2 |
2 |
0 |
0% |
| gpaw/grid_descriptor.py |
GridDescriptor.get_slice |
1 |
0 |
0 |
100% |
| gpaw/grid_descriptor.py |
GridDescriptor.zeros |
1 |
0 |
0 |
100% |
| gpaw/grid_descriptor.py |
GridDescriptor.empty |
1 |
0 |
0 |
100% |
| gpaw/grid_descriptor.py |
GridDescriptor._new_array |
9 |
0 |
0 |
100% |
| gpaw/grid_descriptor.py |
GridDescriptor.get_axial_communicator |
7 |
7 |
0 |
0% |
| gpaw/grid_descriptor.py |
GridDescriptor.integrate |
24 |
1 |
0 |
96% |
| gpaw/grid_descriptor.py |
GridDescriptor.coarsen |
3 |
0 |
0 |
100% |
| gpaw/grid_descriptor.py |
GridDescriptor.refine |
1 |
0 |
0 |
100% |
| gpaw/grid_descriptor.py |
GridDescriptor.get_boxes |
47 |
1 |
0 |
98% |
| gpaw/grid_descriptor.py |
GridDescriptor.get_nearest_grid_point |
6 |
6 |
0 |
0% |
| gpaw/grid_descriptor.py |
GridDescriptor.plane_wave |
2 |
0 |
0 |
100% |
| gpaw/grid_descriptor.py |
GridDescriptor.symmetrize |
21 |
1 |
0 |
95% |
| gpaw/grid_descriptor.py |
GridDescriptor.check_grid_compatibility |
4 |
0 |
0 |
100% |
| gpaw/grid_descriptor.py |
GridDescriptor.get_nearest_compatible_grid |
10 |
0 |
0 |
100% |
| gpaw/grid_descriptor.py |
GridDescriptor.collect |
32 |
27 |
0 |
16% |
| gpaw/grid_descriptor.py |
GridDescriptor.distribute |
27 |
22 |
0 |
19% |
| gpaw/grid_descriptor.py |
GridDescriptor.zero_pad |
15 |
4 |
0 |
73% |
| gpaw/grid_descriptor.py |
GridDescriptor.dipole_moment |
15 |
15 |
0 |
0% |
| gpaw/grid_descriptor.py |
GridDescriptor.calculate_dipole_moment |
13 |
2 |
0 |
85% |
| gpaw/grid_descriptor.py |
GridDescriptor.wannier_matrix |
7 |
2 |
0 |
71% |
| gpaw/grid_descriptor.py |
GridDescriptor.find_center |
8 |
0 |
0 |
100% |
| gpaw/grid_descriptor.py |
GridDescriptor.bytecount |
1 |
0 |
0 |
100% |
| gpaw/grid_descriptor.py |
GridDescriptor.get_grid_point_coordinates |
4 |
1 |
0 |
75% |
| gpaw/grid_descriptor.py |
GridDescriptor.get_grid_point_distance_vectors |
9 |
0 |
0 |
100% |
| gpaw/grid_descriptor.py |
GridDescriptor.interpolate_grid_points |
3 |
0 |
0 |
100% |
| gpaw/grid_descriptor.py |
GridDescriptor.is_my_grid_point |
1 |
0 |
0 |
100% |
| gpaw/grid_descriptor.py |
(no function) |
53 |
0 |
0 |
100% |
| gpaw/hamiltonian.py |
apply_non_local_hamilton |
12 |
1 |
0 |
92% |
| gpaw/hamiltonian.py |
Hamiltonian.__init__ |
39 |
0 |
0 |
100% |
| gpaw/hamiltonian.py |
Hamiltonian.dH |
1 |
0 |
0 |
100% |
| gpaw/hamiltonian.py |
Hamiltonian.update_atomic_hamiltonians |
9 |
0 |
0 |
100% |
| gpaw/hamiltonian.py |
Hamiltonian.__str__ |
6 |
0 |
0 |
100% |
| gpaw/hamiltonian.py |
Hamiltonian.summary |
17 |
1 |
0 |
94% |
| gpaw/hamiltonian.py |
Hamiltonian.get_workfunctions |
17 |
1 |
0 |
94% |
| gpaw/hamiltonian.py |
Hamiltonian.set_positions_without_ruining_everything |
10 |
1 |
0 |
90% |
| gpaw/hamiltonian.py |
Hamiltonian.set_positions |
4 |
0 |
0 |
100% |
| gpaw/hamiltonian.py |
Hamiltonian.initialize |
7 |
0 |
0 |
100% |
| gpaw/hamiltonian.py |
Hamiltonian.update |
23 |
0 |
0 |
100% |
| gpaw/hamiltonian.py |
Hamiltonian.update_corrections |
50 |
0 |
0 |
100% |
| gpaw/hamiltonian.py |
Hamiltonian.get_energy |
12 |
0 |
0 |
100% |
| gpaw/hamiltonian.py |
Hamiltonian.linearize_to_xc |
10 |
0 |
0 |
100% |
| gpaw/hamiltonian.py |
Hamiltonian.calculate_forces |
19 |
0 |
0 |
100% |
| gpaw/hamiltonian.py |
Hamiltonian.apply_local_potential |
5 |
1 |
0 |
80% |
| gpaw/hamiltonian.py |
Hamiltonian.apply |
12 |
0 |
0 |
100% |
| gpaw/hamiltonian.py |
Hamiltonian.get_xc_difference |
13 |
0 |
0 |
100% |
| gpaw/hamiltonian.py |
Hamiltonian.estimate_memory |
9 |
0 |
0 |
100% |
| gpaw/hamiltonian.py |
Hamiltonian.write |
9 |
0 |
0 |
100% |
| gpaw/hamiltonian.py |
Hamiltonian.read |
16 |
0 |
0 |
100% |
| gpaw/hamiltonian.py |
Hamiltonian.calculate_kinetic_energy_directly |
28 |
0 |
0 |
100% |
| gpaw/hamiltonian.py |
Hamiltonian.calculate_kinetic_energy_using_kin_en_matrix |
15 |
0 |
0 |
100% |
| gpaw/hamiltonian.py |
RealSpaceHamiltonian.__init__ |
12 |
0 |
0 |
100% |
| gpaw/hamiltonian.py |
RealSpaceHamiltonian.restrict_and_collect |
5 |
2 |
0 |
60% |
| gpaw/hamiltonian.py |
RealSpaceHamiltonian.__str__ |
6 |
0 |
0 |
100% |
| gpaw/hamiltonian.py |
RealSpaceHamiltonian.set_positions |
5 |
0 |
0 |
100% |
| gpaw/hamiltonian.py |
RealSpaceHamiltonian.update_pseudo_potential |
29 |
0 |
0 |
100% |
| gpaw/hamiltonian.py |
RealSpaceHamiltonian.calculate_kinetic_energy |
13 |
1 |
0 |
92% |
| gpaw/hamiltonian.py |
RealSpaceHamiltonian.calculate_atomic_hamiltonians |
9 |
0 |
0 |
100% |
| gpaw/hamiltonian.py |
RealSpaceHamiltonian.calculate_atomic_hamiltonians.getshape |
1 |
0 |
0 |
100% |
| gpaw/hamiltonian.py |
RealSpaceHamiltonian.calculate_forces2 |
11 |
0 |
0 |
100% |
| gpaw/hamiltonian.py |
RealSpaceHamiltonian.get_electrostatic_potential |
7 |
0 |
0 |
100% |
| gpaw/hamiltonian.py |
(no function) |
47 |
0 |
0 |
100% |
| gpaw/heg.py |
HEG.__init__ |
1 |
0 |
0 |
100% |
| gpaw/heg.py |
HEG.rs |
1 |
0 |
0 |
100% |
| gpaw/heg.py |
HEG.qF |
1 |
0 |
0 |
100% |
| gpaw/heg.py |
(no function) |
8 |
0 |
0 |
100% |
| gpaw/helmholtz.py |
HelmholtzGaussian.get_phi |
8 |
8 |
0 |
0% |
| gpaw/helmholtz.py |
ScreenedPoissonGaussian.get_phi |
7 |
0 |
0 |
100% |
| gpaw/helmholtz.py |
HelmholtzOperator.__init__ |
24 |
0 |
0 |
100% |
| gpaw/helmholtz.py |
HelmholtzSolver.__init__ |
3 |
0 |
0 |
100% |
| gpaw/helmholtz.py |
HelmholtzSolver.set_grid_descriptor |
33 |
2 |
0 |
94% |
| gpaw/helmholtz.py |
HelmholtzSolver.load_gauss |
6 |
1 |
0 |
83% |
| gpaw/helmholtz.py |
(no function) |
18 |
0 |
0 |
100% |
| gpaw/hgh.py |
HGHSetupData.__init__ |
14 |
6 |
0 |
57% |
| gpaw/hgh.py |
HGHSetupData.initialize_setup_data |
60 |
5 |
0 |
92% |
| gpaw/hgh.py |
HGHSetupData.find_cutoff |
8 |
0 |
0 |
100% |
| gpaw/hgh.py |
HGHSetupData.expand_hamiltonian_matrix |
17 |
0 |
0 |
100% |
| gpaw/hgh.py |
HGHSetupData.__str__ |
1 |
0 |
0 |
100% |
| gpaw/hgh.py |
HGHSetupData.__repr__ |
1 |
1 |
0 |
0% |
| gpaw/hgh.py |
HGHSetupData.print_info |
1 |
0 |
0 |
100% |
| gpaw/hgh.py |
HGHSetupData.plot |
17 |
17 |
0 |
0% |
| gpaw/hgh.py |
HGHSetupData.create_basis_functions |
2 |
0 |
0 |
100% |
| gpaw/hgh.py |
HGHSetupData.get_compensation_charge_functions |
6 |
0 |
0 |
100% |
| gpaw/hgh.py |
HGHSetupData.get_projectors |
7 |
0 |
0 |
100% |
| gpaw/hgh.py |
HGHSetupData.get_local_potential |
2 |
0 |
0 |
100% |
| gpaw/hgh.py |
HGHSetupData.build |
5 |
0 |
0 |
100% |
| gpaw/hgh.py |
create_local_shortrange_potential |
10 |
0 |
0 |
100% |
| gpaw/hgh.py |
create_hgh_projector |
7 |
0 |
0 |
100% |
| gpaw/hgh.py |
VNonLocal.__init__ |
6 |
0 |
0 |
100% |
| gpaw/hgh.py |
VNonLocal.expand_hamiltonian_diagonal |
14 |
4 |
0 |
71% |
| gpaw/hgh.py |
VNonLocal.copy |
1 |
1 |
0 |
0% |
| gpaw/hgh.py |
VNonLocal.serialize |
1 |
1 |
0 |
0% |
| gpaw/hgh.py |
HGHParameterSet.__init__ |
8 |
0 |
0 |
100% |
| gpaw/hgh.py |
HGHParameterSet.__str__ |
17 |
3 |
0 |
82% |
| gpaw/hgh.py |
HGHParameterSet.copy |
2 |
2 |
0 |
0% |
| gpaw/hgh.py |
HGHParameterSet.print_info |
2 |
0 |
0 |
100% |
| gpaw/hgh.py |
HGHParameterSet.nl_iter |
4 |
0 |
0 |
100% |
| gpaw/hgh.py |
HGHParameterSet.get_occupation_numbers |
16 |
1 |
0 |
94% |
| gpaw/hgh.py |
HGHParameterSet.zeropad |
13 |
13 |
0 |
0% |
| gpaw/hgh.py |
HGHParameterSet.serialize |
4 |
4 |
0 |
0% |
| gpaw/hgh.py |
parse_local_part |
8 |
0 |
0 |
100% |
| gpaw/hgh.py |
parse_hgh_setup |
14 |
0 |
0 |
100% |
| gpaw/hgh.py |
parse_hgh_setup.pair_up_nonlocal_lines |
6 |
0 |
0 |
100% |
| gpaw/hgh.py |
str2hgh |
1 |
1 |
0 |
0% |
| gpaw/hgh.py |
hgh2str |
1 |
1 |
0 |
0% |
| gpaw/hgh.py |
parse_setups |
12 |
0 |
0 |
100% |
| gpaw/hgh.py |
plot |
9 |
9 |
0 |
0% |
| gpaw/hgh.py |
plot_many |
7 |
7 |
0 |
0% |
| gpaw/hgh.py |
parse_default_setups |
8 |
0 |
0 |
100% |
| gpaw/hgh.py |
(no function) |
55 |
0 |
0 |
100% |
| gpaw/hgh_parameters.py |
(no function) |
1 |
0 |
0 |
100% |
| gpaw/hubbard.py |
parse_hubbard_string |
14 |
0 |
0 |
100% |
| gpaw/hubbard.py |
HubbardU.__init__ |
3 |
0 |
0 |
100% |
| gpaw/hubbard.py |
HubbardU._tuple |
1 |
0 |
0 |
100% |
| gpaw/hubbard.py |
HubbardU.calculate |
12 |
2 |
0 |
83% |
| gpaw/hubbard.py |
HubbardU.descriptions |
4 |
0 |
0 |
100% |
| gpaw/hubbard.py |
hubbard |
33 |
2 |
0 |
94% |
| gpaw/hubbard.py |
aoom |
36 |
12 |
0 |
67% |
| gpaw/hubbard.py |
(no function) |
12 |
0 |
0 |
100% |
| gpaw/hybrids/__init__.py |
parse_name |
13 |
3 |
0 |
77% |
| gpaw/hybrids/__init__.py |
(no function) |
3 |
0 |
0 |
100% |
| gpaw/hybrids/coulomb.py |
coulomb_interaction |
3 |
0 |
0 |
100% |
| gpaw/hybrids/coulomb.py |
ShortRangeCoulomb.__init__ |
2 |
0 |
0 |
100% |
| gpaw/hybrids/coulomb.py |
ShortRangeCoulomb.get_description |
1 |
0 |
0 |
100% |
| gpaw/hybrids/coulomb.py |
ShortRangeCoulomb.get_potential |
10 |
1 |
0 |
90% |
| gpaw/hybrids/coulomb.py |
(no function) |
8 |
0 |
0 |
100% |
| gpaw/hybrids/eigenvalues.py |
non_self_consistent_eigenvalues |
30 |
0 |
0 |
100% |
| gpaw/hybrids/eigenvalues.py |
_semi_local |
8 |
0 |
0 |
100% |
| gpaw/hybrids/eigenvalues.py |
_non_local |
17 |
1 |
0 |
94% |
| gpaw/hybrids/eigenvalues.py |
_calculate_eigenvalues |
57 |
0 |
0 |
100% |
| gpaw/hybrids/eigenvalues.py |
write_snapshot |
5 |
0 |
0 |
100% |
| gpaw/hybrids/eigenvalues.py |
read_snapshot |
7 |
0 |
0 |
100% |
| gpaw/hybrids/eigenvalues.py |
layout |
8 |
0 |
0 |
100% |
| gpaw/hybrids/eigenvalues.py |
idle |
2 |
0 |
0 |
100% |
| gpaw/hybrids/eigenvalues.py |
(no function) |
32 |
0 |
0 |
100% |
| gpaw/hybrids/energy.py |
non_self_consistent_energy |
33 |
1 |
0 |
97% |
| gpaw/hybrids/energy.py |
calculate_energy |
26 |
0 |
0 |
100% |
| gpaw/hybrids/energy.py |
calculate_exx_for_pair |
27 |
3 |
0 |
89% |
| gpaw/hybrids/energy.py |
(no function) |
20 |
0 |
0 |
100% |
| gpaw/hybrids/forces.py |
calculate_forces |
17 |
0 |
0 |
100% |
| gpaw/hybrids/forces.py |
forces |
16 |
0 |
0 |
100% |
| gpaw/hybrids/forces.py |
calculate_exx_for_pair |
29 |
0 |
0 |
100% |
| gpaw/hybrids/forces.py |
(no function) |
9 |
0 |
0 |
100% |
| gpaw/hybrids/kpts.py |
KPoint.__init__ |
5 |
0 |
0 |
100% |
| gpaw/hybrids/kpts.py |
PWKPoint.__init__ |
2 |
0 |
0 |
100% |
| gpaw/hybrids/kpts.py |
RSKPoint.__init__ |
2 |
0 |
0 |
100% |
| gpaw/hybrids/kpts.py |
to_real_space |
16 |
0 |
0 |
100% |
| gpaw/hybrids/kpts.py |
get_kpt |
35 |
26 |
0 |
26% |
| gpaw/hybrids/kpts.py |
(no function) |
14 |
0 |
0 |
100% |
| gpaw/hybrids/paw.py |
calculate_paw_stuff |
23 |
5 |
0 |
78% |
| gpaw/hybrids/paw.py |
python_pawexxvv |
12 |
0 |
0 |
100% |
| gpaw/hybrids/paw.py |
(no function) |
19 |
3 |
0 |
84% |
| gpaw/hybrids/scf.py |
apply1 |
4 |
0 |
0 |
100% |
| gpaw/hybrids/scf.py |
calculate |
53 |
0 |
0 |
100% |
| gpaw/hybrids/scf.py |
calculate_exx_for_pair |
73 |
1 |
0 |
99% |
| gpaw/hybrids/scf.py |
add |
7 |
0 |
0 |
100% |
| gpaw/hybrids/scf.py |
integrate |
16 |
0 |
0 |
100% |
| gpaw/hybrids/scf.py |
apply2 |
8 |
0 |
0 |
100% |
| gpaw/hybrids/scf.py |
calculate2 |
46 |
0 |
0 |
100% |
| gpaw/hybrids/scf.py |
(no function) |
14 |
0 |
0 |
100% |
| gpaw/hybrids/symmetry.py |
create_symmetry_map |
19 |
0 |
0 |
100% |
| gpaw/hybrids/symmetry.py |
Symmetry.__init__ |
6 |
0 |
0 |
100% |
| gpaw/hybrids/symmetry.py |
Symmetry.symmetry_operation |
24 |
6 |
0 |
75% |
| gpaw/hybrids/symmetry.py |
Symmetry.symmetry_operation.T0 |
1 |
0 |
0 |
100% |
| gpaw/hybrids/symmetry.py |
Symmetry.symmetry_operation.T |
1 |
1 |
0 |
0% |
| gpaw/hybrids/symmetry.py |
Symmetry.apply_symmetry |
31 |
0 |
0 |
100% |
| gpaw/hybrids/symmetry.py |
Symmetry.pairs |
53 |
7 |
0 |
87% |
| gpaw/hybrids/symmetry.py |
(no function) |
11 |
0 |
0 |
100% |
| gpaw/hybrids/wrapper.py |
HybridXC.__init__ |
25 |
3 |
0 |
88% |
| gpaw/hybrids/wrapper.py |
HybridXC.get_setup_name |
1 |
0 |
0 |
100% |
| gpaw/hybrids/wrapper.py |
HybridXC.initialize |
4 |
0 |
0 |
100% |
| gpaw/hybrids/wrapper.py |
HybridXC.get_description |
1 |
0 |
0 |
100% |
| gpaw/hybrids/wrapper.py |
HybridXC.set_positions |
1 |
0 |
0 |
100% |
| gpaw/hybrids/wrapper.py |
HybridXC.calculate |
3 |
0 |
0 |
100% |
| gpaw/hybrids/wrapper.py |
HybridXC.calculate_paw_correction |
1 |
0 |
0 |
100% |
| gpaw/hybrids/wrapper.py |
HybridXC.get_kinetic_energy_correction |
1 |
0 |
0 |
100% |
| gpaw/hybrids/wrapper.py |
HybridXC.apply_orbital_dependent_hamiltonian |
29 |
0 |
0 |
100% |
| gpaw/hybrids/wrapper.py |
HybridXC.calculate_lda_potential |
9 |
0 |
0 |
100% |
| gpaw/hybrids/wrapper.py |
HybridXC.summary |
1 |
0 |
0 |
100% |
| gpaw/hybrids/wrapper.py |
HybridXC.add_forces |
2 |
0 |
0 |
100% |
| gpaw/hybrids/wrapper.py |
HybridXC.correct_hamiltonian_matrix |
1 |
0 |
0 |
100% |
| gpaw/hybrids/wrapper.py |
HybridXC.rotate |
1 |
0 |
0 |
100% |
| gpaw/hybrids/wrapper.py |
HybridXC.add_correction |
1 |
0 |
0 |
100% |
| gpaw/hybrids/wrapper.py |
HybridXC.read |
1 |
0 |
0 |
100% |
| gpaw/hybrids/wrapper.py |
HybridXC.write |
1 |
1 |
0 |
0% |
| gpaw/hybrids/wrapper.py |
HybridXC.set_grid_descriptor |
1 |
0 |
0 |
100% |
| gpaw/hybrids/wrapper.py |
(no function) |
29 |
0 |
0 |
100% |
| gpaw/hybrids/wstc.py |
WignerSeitzTruncatedCoulomb.__init__ |
17 |
0 |
0 |
100% |
| gpaw/hybrids/wstc.py |
WignerSeitzTruncatedCoulomb.get_description |
5 |
5 |
0 |
0% |
| gpaw/hybrids/wstc.py |
WignerSeitzTruncatedCoulomb.get_potential_new |
7 |
7 |
0 |
0% |
| gpaw/hybrids/wstc.py |
WignerSeitzTruncatedCoulomb.get_potential |
3 |
0 |
0 |
100% |
| gpaw/hybrids/wstc.py |
WignerSeitzTruncatedCoulomb._get_potential |
26 |
9 |
0 |
65% |
| gpaw/hybrids/wstc.py |
(no function) |
16 |
0 |
0 |
100% |
| gpaw/hyperfine.py |
hyperfine_parameters |
11 |
0 |
0 |
100% |
| gpaw/hyperfine.py |
smooth_part |
19 |
0 |
0 |
100% |
| gpaw/hyperfine.py |
paw_correction |
24 |
0 |
0 |
100% |
| gpaw/hyperfine.py |
expand |
12 |
0 |
0 |
100% |
| gpaw/hyperfine.py |
delta |
1 |
0 |
0 |
100% |
| gpaw/hyperfine.py |
integrate |
19 |
1 |
0 |
95% |
| gpaw/hyperfine.py |
core_contribution |
28 |
1 |
0 |
96% |
| gpaw/hyperfine.py |
main |
44 |
2 |
0 |
95% |
| gpaw/hyperfine.py |
(no function) |
33 |
1 |
0 |
97% |
| gpaw/ibz2bz.py |
IBZ2BZMaps.__init__ |
4 |
0 |
0 |
100% |
| gpaw/ibz2bz.py |
IBZ2BZMaps.from_calculator |
2 |
0 |
0 |
100% |
| gpaw/ibz2bz.py |
IBZ2BZMaps.__len__ |
1 |
1 |
0 |
0% |
| gpaw/ibz2bz.py |
IBZ2BZMaps.__getitem__ |
2 |
0 |
0 |
100% |
| gpaw/ibz2bz.py |
IBZ2BZMaps.get_symmetry_transformations |
1 |
0 |
0 |
100% |
| gpaw/ibz2bz.py |
IBZ2BZMaps.get_rotation_matrix |
2 |
0 |
0 |
100% |
| gpaw/ibz2bz.py |
IBZ2BZMaps.get_atomic_permutations |
2 |
0 |
0 |
100% |
| gpaw/ibz2bz.py |
IBZ2BZMaps.get_projections_rotations |
2 |
0 |
0 |
100% |
| gpaw/ibz2bz.py |
IBZ2BZMap.__init__ |
8 |
0 |
0 |
100% |
| gpaw/ibz2bz.py |
IBZ2BZMap.map_kpoint |
3 |
0 |
0 |
100% |
| gpaw/ibz2bz.py |
IBZ2BZMap.map_pseudo_wave |
10 |
0 |
0 |
100% |
| gpaw/ibz2bz.py |
IBZ2BZMap.map_pseudo_wave_to_BZ |
6 |
0 |
0 |
100% |
| gpaw/ibz2bz.py |
IBZ2BZMap.map_projections |
11 |
1 |
0 |
91% |
| gpaw/ibz2bz.py |
IBZ2BZMap.U_aii |
9 |
0 |
0 |
100% |
| gpaw/ibz2bz.py |
get_overlap |
1 |
0 |
0 |
100% |
| gpaw/ibz2bz.py |
_get_overlap |
16 |
0 |
0 |
100% |
| gpaw/ibz2bz.py |
get_overlap_coefficients |
4 |
0 |
0 |
100% |
| gpaw/ibz2bz.py |
get_phase_shifted_overlap_coefficients |
5 |
0 |
0 |
100% |
| gpaw/ibz2bz.py |
(no function) |
27 |
0 |
0 |
100% |
| gpaw/inducedfield/inducedfield_base.py |
sendreceive_dict |
9 |
3 |
0 |
67% |
| gpaw/inducedfield/inducedfield_base.py |
BaseInducedField.__init__ |
22 |
0 |
0 |
100% |
| gpaw/inducedfield/inducedfield_base.py |
BaseInducedField.initialize |
19 |
0 |
0 |
100% |
| gpaw/inducedfield/inducedfield_base.py |
BaseInducedField.allocate |
1 |
0 |
0 |
100% |
| gpaw/inducedfield/inducedfield_base.py |
BaseInducedField.deallocate |
6 |
6 |
0 |
0% |
| gpaw/inducedfield/inducedfield_base.py |
BaseInducedField.set_folding |
6 |
2 |
0 |
67% |
| gpaw/inducedfield/inducedfield_base.py |
BaseInducedField.get_induced_density |
1 |
1 |
0 |
0% |
| gpaw/inducedfield/inducedfield_base.py |
BaseInducedField.calculate_induced_field |
49 |
2 |
0 |
96% |
| gpaw/inducedfield/inducedfield_base.py |
BaseInducedField._parse_readwritemode |
11 |
5 |
0 |
55% |
| gpaw/inducedfield/inducedfield_base.py |
BaseInducedField.read |
8 |
1 |
0 |
88% |
| gpaw/inducedfield/inducedfield_base.py |
BaseInducedField._read |
42 |
5 |
0 |
88% |
| gpaw/inducedfield/inducedfield_base.py |
BaseInducedField._read.readarray |
3 |
0 |
0 |
100% |
| gpaw/inducedfield/inducedfield_base.py |
BaseInducedField.write |
10 |
2 |
0 |
80% |
| gpaw/inducedfield/inducedfield_base.py |
BaseInducedField._write |
15 |
0 |
0 |
100% |
| gpaw/inducedfield/inducedfield_base.py |
BaseInducedField._write.writearray |
5 |
0 |
0 |
100% |
| gpaw/inducedfield/inducedfield_base.py |
calculate_field |
27 |
0 |
0 |
100% |
| gpaw/inducedfield/inducedfield_base.py |
zero_pad |
6 |
6 |
0 |
0% |
| gpaw/inducedfield/inducedfield_base.py |
calculate_oscstr |
14 |
14 |
0 |
0% |
| gpaw/inducedfield/inducedfield_base.py |
calculate_polarizability |
11 |
11 |
0 |
0% |
| gpaw/inducedfield/inducedfield_base.py |
(no function) |
26 |
0 |
0 |
100% |
| gpaw/inducedfield/inducedfield_fdtd.py |
FDTDInducedField.__init__ |
6 |
0 |
0 |
100% |
| gpaw/inducedfield/inducedfield_fdtd.py |
FDTDInducedField.initialize |
7 |
0 |
0 |
100% |
| gpaw/inducedfield/inducedfield_fdtd.py |
FDTDInducedField.set_folding |
8 |
4 |
0 |
50% |
| gpaw/inducedfield/inducedfield_fdtd.py |
FDTDInducedField.allocate |
7 |
0 |
0 |
100% |
| gpaw/inducedfield/inducedfield_fdtd.py |
FDTDInducedField.deallocate |
3 |
3 |
0 |
0% |
| gpaw/inducedfield/inducedfield_fdtd.py |
FDTDInducedField._update |
19 |
2 |
0 |
89% |
| gpaw/inducedfield/inducedfield_fdtd.py |
FDTDInducedField.write_restart |
3 |
3 |
0 |
0% |
| gpaw/inducedfield/inducedfield_fdtd.py |
FDTDInducedField.get_induced_density |
5 |
1 |
0 |
80% |
| gpaw/inducedfield/inducedfield_fdtd.py |
FDTDInducedField.interpolate_density |
13 |
1 |
0 |
92% |
| gpaw/inducedfield/inducedfield_fdtd.py |
FDTDInducedField._read |
12 |
2 |
0 |
83% |
| gpaw/inducedfield/inducedfield_fdtd.py |
FDTDInducedField._read.readarray |
2 |
0 |
0 |
100% |
| gpaw/inducedfield/inducedfield_fdtd.py |
FDTDInducedField._write |
18 |
0 |
0 |
100% |
| gpaw/inducedfield/inducedfield_fdtd.py |
FDTDInducedField._write.writearray |
5 |
1 |
0 |
80% |
| gpaw/inducedfield/inducedfield_fdtd.py |
calculate_hybrid_induced_field |
26 |
0 |
0 |
100% |
| gpaw/inducedfield/inducedfield_fdtd.py |
calculate_hybrid_induced_field.combine |
1 |
0 |
0 |
100% |
| gpaw/inducedfield/inducedfield_fdtd.py |
(no function) |
21 |
0 |
0 |
100% |
| gpaw/inducedfield/inducedfield_lrtddft.py |
LrTDDFTInducedField.__init__ |
8 |
2 |
0 |
75% |
| gpaw/inducedfield/inducedfield_lrtddft.py |
LrTDDFTInducedField.initialize |
5 |
0 |
0 |
100% |
| gpaw/inducedfield/inducedfield_lrtddft.py |
LrTDDFTInducedField.set_folding |
8 |
4 |
0 |
50% |
| gpaw/inducedfield/inducedfield_lrtddft.py |
LrTDDFTInducedField.get_induced_density |
40 |
5 |
0 |
88% |
| gpaw/inducedfield/inducedfield_lrtddft.py |
(no function) |
11 |
0 |
0 |
100% |
| gpaw/inducedfield/inducedfield_tddft.py |
TDDFTInducedField.__init__ |
8 |
0 |
0 |
100% |
| gpaw/inducedfield/inducedfield_tddft.py |
TDDFTInducedField.initialize |
5 |
0 |
0 |
100% |
| gpaw/inducedfield/inducedfield_tddft.py |
TDDFTInducedField.set_folding |
8 |
4 |
0 |
50% |
| gpaw/inducedfield/inducedfield_tddft.py |
TDDFTInducedField.allocate |
15 |
0 |
0 |
100% |
| gpaw/inducedfield/inducedfield_tddft.py |
TDDFTInducedField.deallocate |
5 |
5 |
0 |
0% |
| gpaw/inducedfield/inducedfield_tddft.py |
TDDFTInducedField._update |
21 |
2 |
0 |
90% |
| gpaw/inducedfield/inducedfield_tddft.py |
TDDFTInducedField.write_restart |
3 |
3 |
0 |
0% |
| gpaw/inducedfield/inducedfield_tddft.py |
TDDFTInducedField.interpolate_pseudo_density |
16 |
1 |
0 |
94% |
| gpaw/inducedfield/inducedfield_tddft.py |
TDDFTInducedField.comp_charge_correction |
21 |
0 |
0 |
100% |
| gpaw/inducedfield/inducedfield_tddft.py |
TDDFTInducedField.paw_corrections |
47 |
47 |
0 |
0% |
| gpaw/inducedfield/inducedfield_tddft.py |
TDDFTInducedField.get_induced_density |
13 |
8 |
0 |
38% |
| gpaw/inducedfield/inducedfield_tddft.py |
TDDFTInducedField._read |
24 |
2 |
0 |
92% |
| gpaw/inducedfield/inducedfield_tddft.py |
TDDFTInducedField._read.readarray |
2 |
0 |
0 |
100% |
| gpaw/inducedfield/inducedfield_tddft.py |
TDDFTInducedField._write |
34 |
3 |
0 |
91% |
| gpaw/inducedfield/inducedfield_tddft.py |
TDDFTInducedField._write.writearray |
5 |
0 |
0 |
100% |
| gpaw/inducedfield/inducedfield_tddft.py |
(no function) |
21 |
0 |
0 |
100% |
| gpaw/io/__init__.py |
Reader |
7 |
3 |
0 |
57% |
| gpaw/io/__init__.py |
Writer |
4 |
1 |
0 |
75% |
| gpaw/io/__init__.py |
(no function) |
2 |
0 |
0 |
100% |
| gpaw/io/fmf.py |
FMF.__init__ |
4 |
0 |
0 |
100% |
| gpaw/io/fmf.py |
FMF.header |
18 |
1 |
0 |
94% |
| gpaw/io/fmf.py |
FMF.data |
6 |
0 |
0 |
100% |
| gpaw/io/fmf.py |
FMF.field |
5 |
0 |
0 |
100% |
| gpaw/io/fmf.py |
FMF.estimate_creator |
1 |
0 |
0 |
100% |
| gpaw/io/fmf.py |
(no function) |
9 |
0 |
0 |
100% |
| gpaw/io/logger.py |
GPAWLogger.__init__ |
8 |
0 |
0 |
100% |
| gpaw/io/logger.py |
GPAWLogger.fd |
1 |
0 |
0 |
100% |
| gpaw/io/logger.py |
GPAWLogger.fd |
5 |
1 |
0 |
80% |
| gpaw/io/logger.py |
GPAWLogger.__call__ |
4 |
0 |
0 |
100% |
| gpaw/io/logger.py |
GPAWLogger.flush |
1 |
0 |
0 |
100% |
| gpaw/io/logger.py |
GPAWLogger.header |
8 |
0 |
0 |
100% |
| gpaw/io/logger.py |
GPAWLogger.print_dict |
18 |
0 |
0 |
100% |
| gpaw/io/logger.py |
GPAWLogger.__del__ |
1 |
0 |
0 |
100% |
| gpaw/io/logger.py |
GPAWLogger.close |
12 |
3 |
0 |
75% |
| gpaw/io/logger.py |
write_header |
37 |
2 |
0 |
95% |
| gpaw/io/logger.py |
cut |
4 |
2 |
0 |
50% |
| gpaw/io/logger.py |
indent |
1 |
0 |
0 |
100% |
| gpaw/io/logger.py |
(no function) |
25 |
0 |
0 |
100% |
| gpaw/io/old.py |
wrap_old_gpw_reader |
119 |
119 |
0 |
0% |
| gpaw/io/old.py |
wrap_old_gpw_reader.DictBackend.write |
1 |
1 |
0 |
0% |
| gpaw/io/old.py |
read_atoms |
15 |
15 |
0 |
0% |
| gpaw/io/old.py |
(no function) |
13 |
0 |
0 |
100% |
| gpaw/io/tar.py |
FileReference.__init__ |
1 |
1 |
0 |
0% |
| gpaw/io/tar.py |
FileReference.__len__ |
1 |
1 |
0 |
0% |
| gpaw/io/tar.py |
FileReference.__iter__ |
2 |
2 |
0 |
0% |
| gpaw/io/tar.py |
FileReference.__getitem__ |
1 |
1 |
0 |
0% |
| gpaw/io/tar.py |
FileReference.__array__ |
1 |
1 |
0 |
0% |
| gpaw/io/tar.py |
open |
4 |
4 |
0 |
0% |
| gpaw/io/tar.py |
Reader.__init__ |
10 |
10 |
0 |
0% |
| gpaw/io/tar.py |
Reader.startElement |
17 |
17 |
0 |
0% |
| gpaw/io/tar.py |
Reader.dimension |
1 |
1 |
0 |
0% |
| gpaw/io/tar.py |
Reader.__getitem__ |
1 |
1 |
0 |
0% |
| gpaw/io/tar.py |
Reader.has_array |
1 |
1 |
0 |
0% |
| gpaw/io/tar.py |
Reader.get |
15 |
15 |
0 |
0% |
| gpaw/io/tar.py |
Reader.get_reference |
3 |
3 |
0 |
0% |
| gpaw/io/tar.py |
Reader.get_file_object |
12 |
12 |
0 |
0% |
| gpaw/io/tar.py |
Reader.get_data_type |
3 |
3 |
0 |
0% |
| gpaw/io/tar.py |
Reader.get_parameters |
1 |
1 |
0 |
0% |
| gpaw/io/tar.py |
Reader.close |
1 |
1 |
0 |
0% |
| gpaw/io/tar.py |
TarFileReference.__init__ |
7 |
7 |
0 |
0% |
| gpaw/io/tar.py |
TarFileReference.__len__ |
1 |
1 |
0 |
0% |
| gpaw/io/tar.py |
TarFileReference.__getitem__ |
23 |
23 |
0 |
0% |
| gpaw/io/tar.py |
(no function) |
33 |
0 |
0 |
100% |
| gpaw/jellium.py |
create_background_charge |
3 |
3 |
0 |
0% |
| gpaw/jellium.py |
Jellium.__init__ |
5 |
0 |
0 |
100% |
| gpaw/jellium.py |
Jellium.todict |
1 |
0 |
0 |
100% |
| gpaw/jellium.py |
Jellium.set_grid_descriptor |
6 |
0 |
0 |
100% |
| gpaw/jellium.py |
Jellium.get_mask |
1 |
1 |
0 |
0% |
| gpaw/jellium.py |
Jellium.add_charge_to |
1 |
0 |
0 |
100% |
| gpaw/jellium.py |
Jellium.add_fourier_space_charge_to |
3 |
3 |
0 |
0% |
| gpaw/jellium.py |
Jellium.build |
2 |
2 |
0 |
0% |
| gpaw/jellium.py |
JelliumSlab.__init__ |
3 |
0 |
0 |
100% |
| gpaw/jellium.py |
JelliumSlab.todict |
3 |
0 |
0 |
100% |
| gpaw/jellium.py |
JelliumSlab.get_mask |
2 |
0 |
0 |
100% |
| gpaw/jellium.py |
(no function) |
17 |
0 |
0 |
100% |
| gpaw/kohnsham_layouts.py |
get_KohnSham_layouts |
12 |
1 |
0 |
92% |
| gpaw/kohnsham_layouts.py |
KohnShamLayouts.__init__ |
11 |
1 |
0 |
91% |
| gpaw/kohnsham_layouts.py |
KohnShamLayouts.get_keywords |
1 |
1 |
0 |
0% |
| gpaw/kohnsham_layouts.py |
KohnShamLayouts.diagonalize |
1 |
1 |
0 |
0% |
| gpaw/kohnsham_layouts.py |
KohnShamLayouts.inverse_cholesky |
1 |
1 |
0 |
0% |
| gpaw/kohnsham_layouts.py |
KohnShamLayouts.new_descriptor |
1 |
1 |
0 |
0% |
| gpaw/kohnsham_layouts.py |
KohnShamLayouts.__repr__ |
1 |
0 |
0 |
100% |
| gpaw/kohnsham_layouts.py |
KohnShamLayouts.get_description |
1 |
1 |
0 |
0% |
| gpaw/kohnsham_layouts.py |
BlacsLayouts.__init__ |
3 |
0 |
0 |
100% |
| gpaw/kohnsham_layouts.py |
BlacsLayouts.get_description |
3 |
0 |
0 |
100% |
| gpaw/kohnsham_layouts.py |
BlacsOrbitalLayouts.__init__ |
23 |
0 |
0 |
100% |
| gpaw/kohnsham_layouts.py |
BlacsOrbitalLayouts.accepts_decomposed_overlap_matrix |
1 |
0 |
0 |
100% |
| gpaw/kohnsham_layouts.py |
BlacsOrbitalLayouts.diagonalize |
25 |
1 |
0 |
96% |
| gpaw/kohnsham_layouts.py |
BlacsOrbitalLayouts.distribute_overlap_matrix |
29 |
1 |
0 |
97% |
| gpaw/kohnsham_layouts.py |
BlacsOrbitalLayouts.get_overlap_matrix_shape |
1 |
0 |
0 |
100% |
| gpaw/kohnsham_layouts.py |
BlacsOrbitalLayouts.calculate_blocked_density_matrix |
18 |
2 |
0 |
89% |
| gpaw/kohnsham_layouts.py |
BlacsOrbitalLayouts.calculate_density_matrix |
12 |
1 |
0 |
92% |
| gpaw/kohnsham_layouts.py |
BlacsOrbitalLayouts.distribute_to_columns |
6 |
1 |
0 |
83% |
| gpaw/kohnsham_layouts.py |
BlacsOrbitalLayouts.oldcalculate_density_matrix |
5 |
5 |
0 |
0% |
| gpaw/kohnsham_layouts.py |
BlacsOrbitalLayouts.get_transposed_density_matrix |
1 |
1 |
0 |
0% |
| gpaw/kohnsham_layouts.py |
BlacsOrbitalLayouts.get_description |
8 |
0 |
0 |
100% |
| gpaw/kohnsham_layouts.py |
OrbitalLayouts.__init__ |
9 |
0 |
0 |
100% |
| gpaw/kohnsham_layouts.py |
OrbitalLayouts.diagonalize |
11 |
0 |
0 |
100% |
| gpaw/kohnsham_layouts.py |
OrbitalLayouts._diagonalize |
5 |
0 |
0 |
100% |
| gpaw/kohnsham_layouts.py |
OrbitalLayouts.estimate_memory |
3 |
3 |
0 |
0% |
| gpaw/kohnsham_layouts.py |
OrbitalLayouts.distribute_overlap_matrix |
4 |
0 |
0 |
100% |
| gpaw/kohnsham_layouts.py |
OrbitalLayouts.get_overlap_matrix_shape |
1 |
0 |
0 |
100% |
| gpaw/kohnsham_layouts.py |
OrbitalLayouts.calculate_density_matrix |
8 |
0 |
0 |
100% |
| gpaw/kohnsham_layouts.py |
OrbitalLayouts.get_transposed_density_matrix |
1 |
0 |
0 |
100% |
| gpaw/kohnsham_layouts.py |
OrbitalLayouts.alternative_calculate_density_matrix |
6 |
6 |
0 |
0% |
| gpaw/kohnsham_layouts.py |
OrbitalLayouts.get_description |
1 |
0 |
0 |
100% |
| gpaw/kohnsham_layouts.py |
OrbitalLayouts.calculate_density_matrix_delta |
8 |
0 |
0 |
100% |
| gpaw/kohnsham_layouts.py |
OrbitalLayouts.get_transposed_density_matrix_delta |
1 |
1 |
0 |
0% |
| gpaw/kohnsham_layouts.py |
(no function) |
53 |
0 |
0 |
100% |
| gpaw/kpoint.py |
KPoint.__init__ |
14 |
0 |
0 |
100% |
| gpaw/kpoint.py |
KPoint.__repr__ |
1 |
1 |
0 |
0% |
| gpaw/kpoint.py |
KPoint.projections |
2 |
0 |
0 |
100% |
| gpaw/kpoint.py |
KPoint.projections |
1 |
0 |
0 |
100% |
| gpaw/kpoint.py |
KPoint.P_ani |
2 |
0 |
0 |
100% |
| gpaw/kpoint.py |
KPoint.psit_nG |
2 |
0 |
0 |
100% |
| gpaw/kpoint.py |
(no function) |
13 |
0 |
0 |
100% |
| gpaw/kpt_descriptor.py |
to1bz |
10 |
0 |
0 |
100% |
| gpaw/kpt_descriptor.py |
kpts2sizeandoffsets |
10 |
1 |
0 |
90% |
| gpaw/kpt_descriptor.py |
KPointDescriptor.__init__ |
30 |
3 |
0 |
90% |
| gpaw/kpt_descriptor.py |
KPointDescriptor.__str__ |
31 |
0 |
0 |
100% |
| gpaw/kpt_descriptor.py |
KPointDescriptor.set_symmetry |
7 |
1 |
0 |
86% |
| gpaw/kpt_descriptor.py |
KPointDescriptor.set_communicator |
7 |
0 |
0 |
100% |
| gpaw/kpt_descriptor.py |
KPointDescriptor.copy |
12 |
0 |
0 |
100% |
| gpaw/kpt_descriptor.py |
KPointDescriptor.create_k_points |
14 |
0 |
0 |
100% |
| gpaw/kpt_descriptor.py |
KPointDescriptor.collect |
19 |
4 |
0 |
79% |
| gpaw/kpt_descriptor.py |
KPointDescriptor.transform_wave_function |
18 |
2 |
0 |
89% |
| gpaw/kpt_descriptor.py |
KPointDescriptor.get_transform_wavefunction_index |
13 |
13 |
0 |
0% |
| gpaw/kpt_descriptor.py |
KPointDescriptor.find_k_plus_q |
13 |
1 |
0 |
92% |
| gpaw/kpt_descriptor.py |
KPointDescriptor.get_bz_q_points |
5 |
0 |
0 |
100% |
| gpaw/kpt_descriptor.py |
KPointDescriptor.get_ibz_q_points |
42 |
1 |
0 |
98% |
| gpaw/kpt_descriptor.py |
KPointDescriptor.find_ibzkpt |
22 |
0 |
0 |
100% |
| gpaw/kpt_descriptor.py |
KPointDescriptor.where_is_q |
6 |
1 |
0 |
83% |
| gpaw/kpt_descriptor.py |
KPointDescriptor.get_count |
8 |
1 |
0 |
88% |
| gpaw/kpt_descriptor.py |
KPointDescriptor.get_offset |
8 |
1 |
0 |
88% |
| gpaw/kpt_descriptor.py |
KPointDescriptor.get_rank_and_index |
2 |
0 |
0 |
100% |
| gpaw/kpt_descriptor.py |
KPointDescriptor.get_indices |
3 |
0 |
0 |
100% |
| gpaw/kpt_descriptor.py |
KPointDescriptor.who_has |
6 |
2 |
0 |
67% |
| gpaw/kpt_descriptor.py |
KPointDescriptor.write |
7 |
0 |
0 |
100% |
| gpaw/kpt_descriptor.py |
(no function) |
33 |
0 |
0 |
100% |
| gpaw/kpt_refine.py |
create_kpoint_descriptor_with_refinement |
34 |
16 |
0 |
53% |
| gpaw/kpt_refine.py |
create_kpoint_descriptor |
3 |
0 |
0 |
100% |
| gpaw/kpt_refine.py |
create_mixed_kpoint_descriptor |
18 |
0 |
0 |
100% |
| gpaw/kpt_refine.py |
get_fine_bzkpts |
34 |
0 |
0 |
100% |
| gpaw/kpt_refine.py |
find_equivalent_kpoints |
5 |
1 |
0 |
80% |
| gpaw/kpt_refine.py |
get_reduced_monkhorst |
2 |
0 |
0 |
100% |
| gpaw/kpt_refine.py |
construct_neighbours_by_shells |
18 |
14 |
0 |
22% |
| gpaw/kpt_refine.py |
prune_symmetries_kpoints |
9 |
9 |
0 |
0% |
| gpaw/kpt_refine.py |
find_missing_points |
20 |
1 |
0 |
95% |
| gpaw/kpt_refine.py |
add_missing_points |
6 |
1 |
0 |
83% |
| gpaw/kpt_refine.py |
add_plusq_points |
20 |
20 |
0 |
0% |
| gpaw/kpt_refine.py |
create_new_descriptor_with_zero_points |
13 |
0 |
0 |
100% |
| gpaw/kpt_refine.py |
minimal_point_distance |
4 |
0 |
0 |
100% |
| gpaw/kpt_refine.py |
KRefinement.__init__ |
4 |
0 |
0 |
100% |
| gpaw/kpt_refine.py |
KRefinement.__str__ |
5 |
1 |
0 |
80% |
| gpaw/kpt_refine.py |
KRefinement.set_unrefined_nbzkpts |
1 |
0 |
0 |
100% |
| gpaw/kpt_refine.py |
KRefinement.get_unrefined_nbzkpts |
1 |
0 |
0 |
100% |
| gpaw/kpt_refine.py |
KRefinement.set_weight_k |
1 |
0 |
0 |
100% |
| gpaw/kpt_refine.py |
KRefinement.get_weight_k |
1 |
1 |
0 |
0% |
| gpaw/kpt_refine.py |
KRefinement.set_label_k |
1 |
0 |
0 |
100% |
| gpaw/kpt_refine.py |
KRefinement.get_label_k |
1 |
1 |
0 |
0% |
| gpaw/kpt_refine.py |
KRefinement.copy |
6 |
0 |
0 |
100% |
| gpaw/kpt_refine.py |
(no function) |
29 |
0 |
0 |
100% |
| gpaw/lcao/analyse_basis.py |
build_parser |
8 |
0 |
0 |
100% |
| gpaw/lcao/analyse_basis.py |
main |
16 |
2 |
0 |
88% |
| gpaw/lcao/analyse_basis.py |
(no function) |
5 |
0 |
0 |
100% |
| gpaw/lcao/atomic_correction.py |
BaseAtomicCorrection.__init__ |
3 |
0 |
0 |
100% |
| gpaw/lcao/atomic_correction.py |
BaseAtomicCorrection.get_dS |
4 |
0 |
0 |
100% |
| gpaw/lcao/atomic_correction.py |
BaseAtomicCorrection.calculate_hamiltonian |
4 |
0 |
0 |
100% |
| gpaw/lcao/atomic_correction.py |
BaseAtomicCorrection.add_overlap_correction |
2 |
0 |
0 |
100% |
| gpaw/lcao/atomic_correction.py |
BaseAtomicCorrection.calculate |
1 |
1 |
0 |
0% |
| gpaw/lcao/atomic_correction.py |
DenseAtomicCorrection.__init__ |
2 |
0 |
0 |
100% |
| gpaw/lcao/atomic_correction.py |
DenseAtomicCorrection.new_from_wfs |
1 |
0 |
0 |
100% |
| gpaw/lcao/atomic_correction.py |
DenseAtomicCorrection.calculate |
8 |
0 |
0 |
100% |
| gpaw/lcao/atomic_correction.py |
DenseAtomicCorrection.calculate_projections |
3 |
0 |
0 |
100% |
| gpaw/lcao/atomic_correction.py |
SparseAtomicCorrection.__init__ |
4 |
0 |
0 |
100% |
| gpaw/lcao/atomic_correction.py |
SparseAtomicCorrection.new_from_wfs |
1 |
0 |
0 |
100% |
| gpaw/lcao/atomic_correction.py |
SparseAtomicCorrection.calculate |
12 |
0 |
0 |
100% |
| gpaw/lcao/atomic_correction.py |
SparseAtomicCorrection.calculate_projections |
5 |
0 |
0 |
100% |
| gpaw/lcao/atomic_correction.py |
(no function) |
28 |
0 |
0 |
100% |
| gpaw/lcao/bsse.py |
GhostSetup.__init__ |
63 |
0 |
0 |
100% |
| gpaw/lcao/bsse.py |
GhostSetupData.__init__ |
3 |
0 |
0 |
100% |
| gpaw/lcao/bsse.py |
GhostSetupData.build |
4 |
1 |
0 |
75% |
| gpaw/lcao/bsse.py |
GhostSetupData.print_info |
1 |
0 |
0 |
100% |
| gpaw/lcao/bsse.py |
(no function) |
13 |
0 |
0 |
100% |
| gpaw/lcao/dipoletransition.py |
get_dipole_transitions |
7 |
0 |
0 |
100% |
| gpaw/lcao/dipoletransition.py |
get_momentum_transitions |
36 |
0 |
0 |
100% |
| gpaw/lcao/dipoletransition.py |
(no function) |
5 |
0 |
0 |
100% |
| gpaw/lcao/eigensolver.py |
DirectLCAO.__init__ |
2 |
0 |
0 |
100% |
| gpaw/lcao/eigensolver.py |
DirectLCAO.initialize |
6 |
0 |
0 |
100% |
| gpaw/lcao/eigensolver.py |
DirectLCAO.reset |
1 |
0 |
0 |
100% |
| gpaw/lcao/eigensolver.py |
DirectLCAO.error |
1 |
0 |
0 |
100% |
| gpaw/lcao/eigensolver.py |
DirectLCAO.error |
1 |
1 |
0 |
0% |
| gpaw/lcao/eigensolver.py |
DirectLCAO.calculate_hamiltonian_matrix |
27 |
0 |
0 |
100% |
| gpaw/lcao/eigensolver.py |
DirectLCAO.iterate |
11 |
0 |
0 |
100% |
| gpaw/lcao/eigensolver.py |
DirectLCAO.iterate_one_k_point |
22 |
1 |
0 |
95% |
| gpaw/lcao/eigensolver.py |
DirectLCAO.__repr__ |
1 |
0 |
0 |
100% |
| gpaw/lcao/eigensolver.py |
DirectLCAO.estimate_memory |
1 |
0 |
0 |
100% |
| gpaw/lcao/eigensolver.py |
(no function) |
14 |
0 |
0 |
100% |
| gpaw/lcao/el_ph.py |
ElectronPhononCouplingMatrix.__init__ |
18 |
18 |
0 |
0% |
| gpaw/lcao/el_ph.py |
ElectronPhononCouplingMatrix.run |
62 |
62 |
0 |
0% |
| gpaw/lcao/el_ph.py |
ElectronPhononCouplingMatrix.get_gradient |
26 |
26 |
0 |
0% |
| gpaw/lcao/el_ph.py |
ElectronPhononCouplingMatrix.get_M |
65 |
65 |
0 |
0% |
| gpaw/lcao/el_ph.py |
get_grid_dP_aMix |
22 |
22 |
0 |
0% |
| gpaw/lcao/el_ph.py |
get_grid2_dP_aMix |
12 |
12 |
0 |
0% |
| gpaw/lcao/el_ph.py |
get_tci_dP_aMix |
15 |
15 |
0 |
0% |
| gpaw/lcao/el_ph.py |
(no function) |
19 |
0 |
0 |
100% |
| gpaw/lcao/generate_extended.py |
BasisSpecification.__init__ |
3 |
3 |
0 |
0% |
| gpaw/lcao/generate_extended.py |
BasisSpecification.__str__ |
4 |
4 |
0 |
0% |
| gpaw/lcao/generate_extended.py |
main |
57 |
57 |
0 |
0% |
| gpaw/lcao/generate_extended.py |
(no function) |
13 |
1 |
0 |
92% |
| gpaw/lcao/generate_ngto_augmented.py |
create_GTO_dictionary |
1 |
0 |
0 |
100% |
| gpaw/lcao/generate_ngto_augmented.py |
create_CGTO_dictionary |
4 |
0 |
0 |
100% |
| gpaw/lcao/generate_ngto_augmented.py |
read_gaussian_basis_file |
38 |
0 |
0 |
100% |
| gpaw/lcao/generate_ngto_augmented.py |
get_ngto |
5 |
0 |
0 |
100% |
| gpaw/lcao/generate_ngto_augmented.py |
create_ngto |
23 |
7 |
0 |
70% |
| gpaw/lcao/generate_ngto_augmented.py |
add_ngto |
13 |
0 |
0 |
100% |
| gpaw/lcao/generate_ngto_augmented.py |
generate_nao_ngto_basis |
40 |
2 |
0 |
95% |
| gpaw/lcao/generate_ngto_augmented.py |
(no function) |
15 |
0 |
0 |
100% |
| gpaw/lcao/local_orbitals.py |
get_subspace |
2 |
0 |
0 |
100% |
| gpaw/lcao/local_orbitals.py |
get_orthonormal_subspace |
7 |
2 |
0 |
71% |
| gpaw/lcao/local_orbitals.py |
subdiagonalize |
11 |
0 |
0 |
100% |
| gpaw/lcao/local_orbitals.py |
subdiagonalize_atoms |
10 |
10 |
0 |
0% |
| gpaw/lcao/local_orbitals.py |
get_orbitals |
5 |
5 |
0 |
0% |
| gpaw/lcao/local_orbitals.py |
get_xc |
14 |
14 |
0 |
0% |
| gpaw/lcao/local_orbitals.py |
get_Fcore |
1 |
1 |
0 |
0% |
| gpaw/lcao/local_orbitals.py |
BasisTransform.__init__ |
6 |
0 |
0 |
100% |
| gpaw/lcao/local_orbitals.py |
BasisTransform.get_rotation |
3 |
0 |
0 |
100% |
| gpaw/lcao/local_orbitals.py |
BasisTransform.rotate_matrix |
2 |
0 |
0 |
100% |
| gpaw/lcao/local_orbitals.py |
BasisTransform.rotate_projections |
5 |
5 |
0 |
0% |
| gpaw/lcao/local_orbitals.py |
BasisTransform.rotate_function |
2 |
2 |
0 |
0% |
| gpaw/lcao/local_orbitals.py |
EffectiveModel.__init__ |
7 |
5 |
0 |
29% |
| gpaw/lcao/local_orbitals.py |
EffectiveModel.get_static_correction |
12 |
0 |
0 |
100% |
| gpaw/lcao/local_orbitals.py |
EffectiveModel.__len__ |
1 |
1 |
0 |
0% |
| gpaw/lcao/local_orbitals.py |
Subdiagonalization.__init__ |
6 |
0 |
0 |
100% |
| gpaw/lcao/local_orbitals.py |
Subdiagonalization.group_energies |
7 |
0 |
0 |
100% |
| gpaw/lcao/local_orbitals.py |
Subdiagonalization.group_symmetries |
36 |
1 |
0 |
97% |
| gpaw/lcao/local_orbitals.py |
Subdiagonalization.get_model |
1 |
0 |
0 |
100% |
| gpaw/lcao/local_orbitals.py |
LocalOrbitals.__init__ |
23 |
2 |
0 |
91% |
| gpaw/lcao/local_orbitals.py |
LocalOrbitals.subdiagonalize |
8 |
1 |
0 |
88% |
| gpaw/lcao/local_orbitals.py |
LocalOrbitals.groupby |
7 |
1 |
0 |
86% |
| gpaw/lcao/local_orbitals.py |
LocalOrbitals.take_model |
38 |
1 |
0 |
97% |
| gpaw/lcao/local_orbitals.py |
LocalOrbitals.h_and_s |
2 |
2 |
0 |
0% |
| gpaw/lcao/local_orbitals.py |
LocalOrbitals.band_structure |
6 |
6 |
0 |
0% |
| gpaw/lcao/local_orbitals.py |
LocalOrbitals.get_hamiltonian |
1 |
1 |
0 |
0% |
| gpaw/lcao/local_orbitals.py |
LocalOrbitals.get_overlap |
1 |
1 |
0 |
0% |
| gpaw/lcao/local_orbitals.py |
LocalOrbitals.get_orbitals |
4 |
4 |
0 |
0% |
| gpaw/lcao/local_orbitals.py |
LocalOrbitals.plot_group |
1 |
1 |
0 |
0% |
| gpaw/lcao/local_orbitals.py |
LocalOrbitals.get_projections |
2 |
2 |
0 |
0% |
| gpaw/lcao/local_orbitals.py |
LocalOrbitals.get_xc |
1 |
1 |
0 |
0% |
| gpaw/lcao/local_orbitals.py |
LocalOrbitals.get_Fcore |
1 |
1 |
0 |
0% |
| gpaw/lcao/local_orbitals.py |
get_plane_dirs |
3 |
3 |
0 |
0% |
| gpaw/lcao/local_orbitals.py |
get_atoms |
9 |
9 |
0 |
0% |
| gpaw/lcao/local_orbitals.py |
plot2D_orbitals |
37 |
37 |
0 |
0% |
| gpaw/lcao/local_orbitals.py |
plot2D_orbitals.get_coord |
1 |
1 |
0 |
0% |
| gpaw/lcao/local_orbitals.py |
(no function) |
53 |
0 |
0 |
100% |
| gpaw/lcao/overlap.py |
BaseOverlapExpansionSet.__init__ |
1 |
0 |
0 |
100% |
| gpaw/lcao/overlap.py |
BaseOverlapExpansionSet.zeros |
1 |
0 |
0 |
100% |
| gpaw/lcao/overlap.py |
OverlapExpansion.__init__ |
7 |
0 |
0 |
100% |
| gpaw/lcao/overlap.py |
OverlapExpansion.evaluate |
1 |
0 |
0 |
100% |
| gpaw/lcao/overlap.py |
OverlapExpansion.derivative |
1 |
0 |
0 |
100% |
| gpaw/lcao/overlap.py |
TwoSiteOverlapExpansions.__init__ |
8 |
0 |
0 |
100% |
| gpaw/lcao/overlap.py |
TwoSiteOverlapExpansions.slice |
11 |
0 |
0 |
100% |
| gpaw/lcao/overlap.py |
TwoSiteOverlapExpansions.evaluate |
8 |
0 |
0 |
100% |
| gpaw/lcao/overlap.py |
TwoSiteOverlapExpansions.derivative |
7 |
0 |
0 |
100% |
| gpaw/lcao/overlap.py |
ManySiteOverlapExpansions.__init__ |
18 |
0 |
0 |
100% |
| gpaw/lcao/overlap.py |
ManySiteOverlapExpansions.get |
1 |
0 |
0 |
100% |
| gpaw/lcao/overlap.py |
ManySiteOverlapExpansions.getslice |
8 |
0 |
0 |
100% |
| gpaw/lcao/overlap.py |
ManySiteOverlapExpansions.evaluate_slice |
2 |
0 |
0 |
100% |
| gpaw/lcao/overlap.py |
DomainDecomposedExpansions.__init__ |
3 |
0 |
0 |
100% |
| gpaw/lcao/overlap.py |
DomainDecomposedExpansions.evaluate_slice |
2 |
0 |
0 |
100% |
| gpaw/lcao/overlap.py |
ManySiteDictionaryWrapper.getslice |
5 |
0 |
0 |
100% |
| gpaw/lcao/overlap.py |
ManySiteDictionaryWrapper.evaluate_slice |
7 |
0 |
0 |
100% |
| gpaw/lcao/overlap.py |
BlacsOverlapExpansions.__init__ |
15 |
15 |
0 |
0% |
| gpaw/lcao/overlap.py |
BlacsOverlapExpansions.evaluate_slice |
16 |
16 |
0 |
0% |
| gpaw/lcao/overlap.py |
NeighborPairs.__init__ |
3 |
0 |
0 |
100% |
| gpaw/lcao/overlap.py |
NeighborPairs.set_positions |
2 |
0 |
0 |
100% |
| gpaw/lcao/overlap.py |
NeighborPairs.iter |
7 |
0 |
0 |
100% |
| gpaw/lcao/overlap.py |
PairFilter.__init__ |
1 |
0 |
0 |
100% |
| gpaw/lcao/overlap.py |
PairFilter.set_positions |
1 |
0 |
0 |
100% |
| gpaw/lcao/overlap.py |
PairFilter.iter |
1 |
1 |
0 |
0% |
| gpaw/lcao/overlap.py |
PairsWithSelfinteraction.iter |
4 |
1 |
0 |
75% |
| gpaw/lcao/overlap.py |
OppositeDirection.iter |
2 |
0 |
0 |
100% |
| gpaw/lcao/overlap.py |
FourierTransformer.calculate_overlap_expansion |
18 |
0 |
0 |
100% |
| gpaw/lcao/overlap.py |
FourierTransformer.laplacian |
1 |
0 |
0 |
100% |
| gpaw/lcao/overlap.py |
TwoSiteOverlapCalculator.__init__ |
1 |
0 |
0 |
100% |
| gpaw/lcao/overlap.py |
TwoSiteOverlapCalculator.transform |
2 |
0 |
0 |
100% |
| gpaw/lcao/overlap.py |
TwoSiteOverlapCalculator.calculate_expansions |
10 |
0 |
0 |
100% |
| gpaw/lcao/overlap.py |
TwoSiteOverlapCalculator.calculate_kinetic_expansions |
2 |
2 |
0 |
0% |
| gpaw/lcao/overlap.py |
TwoSiteOverlapCalculator.laplacian |
2 |
0 |
0 |
100% |
| gpaw/lcao/overlap.py |
ManySiteOverlapCalculator.__init__ |
3 |
0 |
0 |
100% |
| gpaw/lcao/overlap.py |
ManySiteOverlapCalculator.transform |
2 |
0 |
0 |
100% |
| gpaw/lcao/overlap.py |
ManySiteOverlapCalculator.calculate_expansions |
10 |
0 |
0 |
100% |
| gpaw/lcao/overlap.py |
ManySiteOverlapCalculator.calculate_kinetic_expansions |
2 |
0 |
0 |
100% |
| gpaw/lcao/overlap.py |
AtomicDisplacement.__init__ |
8 |
0 |
0 |
100% |
| gpaw/lcao/overlap.py |
AtomicDisplacement._set_spherical_harmonics |
1 |
0 |
0 |
100% |
| gpaw/lcao/overlap.py |
AtomicDisplacement.evaluate_direct |
2 |
2 |
0 |
0% |
| gpaw/lcao/overlap.py |
AtomicDisplacement.evaluate_direct_without_phases |
1 |
1 |
0 |
0% |
| gpaw/lcao/overlap.py |
AtomicDisplacement.overlap_without_phases |
1 |
0 |
0 |
100% |
| gpaw/lcao/overlap.py |
AtomicDisplacement._evaluate_without_phases |
1 |
0 |
0 |
100% |
| gpaw/lcao/overlap.py |
AtomicDisplacement.evaluate_overlap |
4 |
0 |
0 |
100% |
| gpaw/lcao/overlap.py |
AtomicDisplacement.reverse |
1 |
0 |
0 |
100% |
| gpaw/lcao/overlap.py |
LazySphericalHarmonics.__init__ |
4 |
0 |
0 |
100% |
| gpaw/lcao/overlap.py |
LazySphericalHarmonics.evaluate |
3 |
0 |
0 |
100% |
| gpaw/lcao/overlap.py |
LazySphericalHarmonics.__getitem__ |
5 |
5 |
0 |
0% |
| gpaw/lcao/overlap.py |
LazySphericalHarmonics.toarray |
4 |
0 |
0 |
100% |
| gpaw/lcao/overlap.py |
LazySphericalHarmonicsDerivative.evaluate |
5 |
0 |
0 |
100% |
| gpaw/lcao/overlap.py |
DerivativeAtomicDisplacement._set_spherical_harmonics |
5 |
0 |
0 |
100% |
| gpaw/lcao/overlap.py |
DerivativeAtomicDisplacement.derivative_without_phases |
1 |
0 |
0 |
100% |
| gpaw/lcao/overlap.py |
DerivativeAtomicDisplacement._evaluate_without_phases |
1 |
0 |
0 |
100% |
| gpaw/lcao/overlap.py |
NullPhases.__init__ |
1 |
0 |
0 |
100% |
| gpaw/lcao/overlap.py |
NullPhases.apply |
2 |
0 |
0 |
100% |
| gpaw/lcao/overlap.py |
NullPhases.inverse |
1 |
0 |
0 |
100% |
| gpaw/lcao/overlap.py |
BlochPhases.__init__ |
3 |
0 |
0 |
100% |
| gpaw/lcao/overlap.py |
BlochPhases.apply |
3 |
0 |
0 |
100% |
| gpaw/lcao/overlap.py |
BlochPhases.inverse |
1 |
1 |
0 |
0% |
| gpaw/lcao/overlap.py |
TwoCenterIntegralCalculator.__init__ |
9 |
2 |
0 |
78% |
| gpaw/lcao/overlap.py |
TwoCenterIntegralCalculator.calculate |
3 |
0 |
0 |
100% |
| gpaw/lcao/overlap.py |
TwoCenterIntegralCalculator.iter |
3 |
0 |
0 |
100% |
| gpaw/lcao/overlap.py |
NewTwoCenterIntegrals.__init__ |
30 |
0 |
0 |
100% |
| gpaw/lcao/overlap.py |
NewTwoCenterIntegrals.set_matrix_distribution |
3 |
0 |
0 |
100% |
| gpaw/lcao/overlap.py |
NewTwoCenterIntegrals.calculate_expansions |
14 |
0 |
0 |
100% |
| gpaw/lcao/overlap.py |
NewTwoCenterIntegrals._calculate |
21 |
5 |
0 |
76% |
| gpaw/lcao/overlap.py |
NewTwoCenterIntegrals.evaluate |
5 |
0 |
0 |
100% |
| gpaw/lcao/overlap.py |
NewTwoCenterIntegrals.derivative |
7 |
7 |
0 |
0% |
| gpaw/lcao/overlap.py |
NewTwoCenterIntegrals.derivative.antihermitian |
1 |
1 |
0 |
0% |
| gpaw/lcao/overlap.py |
NewTwoCenterIntegrals.estimate_memory |
1 |
1 |
0 |
0% |
| gpaw/lcao/overlap.py |
(no function) |
107 |
0 |
0 |
100% |
| gpaw/lcao/projected_wannier.py |
dots |
4 |
0 |
0 |
100% |
| gpaw/lcao/projected_wannier.py |
normalize |
10 |
10 |
0 |
0% |
| gpaw/lcao/projected_wannier.py |
normalize2 |
1 |
1 |
0 |
0% |
| gpaw/lcao/projected_wannier.py |
get_rot |
11 |
11 |
0 |
0% |
| gpaw/lcao/projected_wannier.py |
condition_number |
2 |
0 |
0 |
100% |
| gpaw/lcao/projected_wannier.py |
eigvals |
1 |
1 |
0 |
0% |
| gpaw/lcao/projected_wannier.py |
get_bfs |
4 |
0 |
0 |
100% |
| gpaw/lcao/projected_wannier.py |
get_lcao_projections_HSP |
51 |
3 |
0 |
94% |
| gpaw/lcao/projected_wannier.py |
convert_projection_data |
11 |
11 |
0 |
0% |
| gpaw/lcao/projected_wannier.py |
get_phs |
1 |
1 |
0 |
0% |
| gpaw/lcao/projected_wannier.py |
ProjectedWannierFunctions.__init__ |
23 |
23 |
0 |
0% |
| gpaw/lcao/projected_wannier.py |
ProjectedWannierFunctions.get_hamiltonian_and_overlap_matrix |
5 |
5 |
0 |
0% |
| gpaw/lcao/projected_wannier.py |
ProjectedWannierFunctions.calculate_edf |
16 |
16 |
0 |
0% |
| gpaw/lcao/projected_wannier.py |
ProjectedWannierFunctions.calculate_rotations |
6 |
6 |
0 |
0% |
| gpaw/lcao/projected_wannier.py |
ProjectedWannierFunctions.calculate_overlaps |
3 |
3 |
0 |
0% |
| gpaw/lcao/projected_wannier.py |
ProjectedWannierFunctions.get_condition_number |
1 |
1 |
0 |
0% |
| gpaw/lcao/projected_wannier.py |
ProjectedWannierFunctions.calculate_hamiltonian_matrix |
13 |
13 |
0 |
0% |
| gpaw/lcao/projected_wannier.py |
ProjectedWannierFunctions.get_eigenvalues |
1 |
1 |
0 |
0% |
| gpaw/lcao/projected_wannier.py |
ProjectedWannierFunctions.get_lcao_eigenvalues |
1 |
1 |
0 |
0% |
| gpaw/lcao/projected_wannier.py |
ProjectedWannierFunctions.get_norm_of_projection |
6 |
6 |
0 |
0% |
| gpaw/lcao/projected_wannier.py |
ProjectedWannierFunctions.calculate_functions |
15 |
15 |
0 |
0% |
| gpaw/lcao/projected_wannier.py |
ProjectedWannierFunctions.get_mlwf_initial_guess |
5 |
5 |
0 |
0% |
| gpaw/lcao/projected_wannier.py |
(no function) |
31 |
0 |
0 |
100% |
| gpaw/lcao/pwf2.py |
get_lcao_xc |
24 |
1 |
0 |
96% |
| gpaw/lcao/pwf2.py |
LCAOwrap.__init__ |
14 |
0 |
0 |
100% |
| gpaw/lcao/pwf2.py |
LCAOwrap.get_hamiltonian |
3 |
1 |
0 |
67% |
| gpaw/lcao/pwf2.py |
LCAOwrap.get_overlap |
3 |
1 |
0 |
67% |
| gpaw/lcao/pwf2.py |
LCAOwrap.get_projections |
3 |
1 |
0 |
67% |
| gpaw/lcao/pwf2.py |
LCAOwrap.get_orbitals |
10 |
1 |
0 |
90% |
| gpaw/lcao/pwf2.py |
LCAOwrap.get_Fcore |
8 |
1 |
0 |
88% |
| gpaw/lcao/pwf2.py |
LCAOwrap.get_xc |
5 |
1 |
0 |
80% |
| gpaw/lcao/pwf2.py |
(no function) |
14 |
0 |
0 |
100% |
| gpaw/lcao/scissors.py |
non_self_consistent_scissors_shift |
12 |
0 |
0 |
100% |
| gpaw/lcao/scissors.py |
check_symmetries |
9 |
0 |
0 |
100% |
| gpaw/lcao/scissors.py |
ScissorsLCAOEigensolver.__init__ |
5 |
0 |
0 |
100% |
| gpaw/lcao/scissors.py |
ScissorsLCAOEigensolver.iterate |
5 |
0 |
0 |
100% |
| gpaw/lcao/scissors.py |
ScissorsLCAOEigensolver.iterate1 |
1 |
0 |
0 |
100% |
| gpaw/lcao/scissors.py |
ScissorsLCAOEigensolver.__repr__ |
8 |
0 |
0 |
100% |
| gpaw/lcao/scissors.py |
MyMatCalc.__init__ |
2 |
0 |
0 |
100% |
| gpaw/lcao/scissors.py |
MyMatCalc.calculate_matrix |
7 |
0 |
0 |
100% |
| gpaw/lcao/scissors.py |
MyMatCalc.add_scissors |
39 |
0 |
0 |
100% |
| gpaw/lcao/scissors.py |
(no function) |
20 |
0 |
0 |
100% |
| gpaw/lcao/tci.py |
get_cutoffs |
7 |
0 |
0 |
100% |
| gpaw/lcao/tci.py |
get_lvalues |
1 |
0 |
0 |
100% |
| gpaw/lcao/tci.py |
AtomPairRegistry.__init__ |
13 |
0 |
0 |
100% |
| gpaw/lcao/tci.py |
AtomPairRegistry.__init__.add |
1 |
0 |
0 |
100% |
| gpaw/lcao/tci.py |
AtomPairRegistry.get |
2 |
0 |
0 |
100% |
| gpaw/lcao/tci.py |
AtomPairRegistry.get_atompairs |
1 |
0 |
0 |
100% |
| gpaw/lcao/tci.py |
TCIExpansions.__init__ |
18 |
0 |
0 |
100% |
| gpaw/lcao/tci.py |
TCIExpansions.new_from_setups |
6 |
0 |
0 |
100% |
| gpaw/lcao/tci.py |
TCIExpansions.get_tci_calculator |
1 |
0 |
0 |
100% |
| gpaw/lcao/tci.py |
TCIExpansions.get_manytci_calculator |
1 |
0 |
0 |
100% |
| gpaw/lcao/tci.py |
TCICalculator.__init__ |
15 |
0 |
0 |
100% |
| gpaw/lcao/tci.py |
TCICalculator._tci_shortcut |
2 |
0 |
0 |
100% |
| gpaw/lcao/tci.py |
TCICalculator._tci_shortcut.calculate |
1 |
0 |
0 |
100% |
| gpaw/lcao/tci.py |
TCICalculator._calculate |
36 |
0 |
0 |
100% |
| gpaw/lcao/tci.py |
ManyTCICalculator.__init__ |
9 |
0 |
0 |
100% |
| gpaw/lcao/tci.py |
ManyTCICalculator.P_aqMi |
22 |
0 |
0 |
100% |
| gpaw/lcao/tci.py |
ManyTCICalculator.P_aqMi.empty |
1 |
0 |
0 |
100% |
| gpaw/lcao/tci.py |
ManyTCICalculator.P_qIM |
13 |
0 |
0 |
100% |
| gpaw/lcao/tci.py |
ManyTCICalculator.O_qMM_T_qMM |
39 |
1 |
0 |
97% |
| gpaw/lcao/tci.py |
ManyTCICalculator.O_qMM_T_qMM.lumap |
2 |
0 |
0 |
100% |
| gpaw/lcao/tci.py |
(no function) |
26 |
0 |
0 |
100% |
| gpaw/lcao/tightbinding.py |
TightBinding.__init__ |
19 |
2 |
0 |
89% |
| gpaw/lcao/tightbinding.py |
TightBinding.set_num_cells |
11 |
2 |
0 |
82% |
| gpaw/lcao/tightbinding.py |
TightBinding.lattice_vectors |
1 |
1 |
0 |
0% |
| gpaw/lcao/tightbinding.py |
TightBinding.bloch_to_real_space |
28 |
3 |
0 |
89% |
| gpaw/lcao/tightbinding.py |
TightBinding.h_and_s |
17 |
0 |
0 |
100% |
| gpaw/lcao/tightbinding.py |
TightBinding.band_structure |
21 |
21 |
0 |
0% |
| gpaw/lcao/tightbinding.py |
(no function) |
12 |
0 |
0 |
100% |
| gpaw/lcao/tools.py |
get_bf_centers |
12 |
12 |
0 |
0% |
| gpaw/lcao/tools.py |
get_bfi |
5 |
0 |
0 |
100% |
| gpaw/lcao/tools.py |
get_mulliken |
14 |
14 |
0 |
0% |
| gpaw/lcao/tools.py |
get_realspace_hs |
59 |
59 |
0 |
0% |
| gpaw/lcao/tools.py |
remove_pbc |
25 |
25 |
0 |
0% |
| gpaw/lcao/tools.py |
dump_hamiltonian |
16 |
16 |
0 |
0% |
| gpaw/lcao/tools.py |
dump_hamiltonian_parallel |
1 |
1 |
0 |
0% |
| gpaw/lcao/tools.py |
dump_hamiltonian_and_overlap |
27 |
27 |
0 |
0% |
| gpaw/lcao/tools.py |
get_lcao_hamiltonian |
22 |
19 |
0 |
14% |
| gpaw/lcao/tools.py |
old_get_lcao_hamiltonian |
20 |
1 |
0 |
95% |
| gpaw/lcao/tools.py |
get_lead_lcao_hamiltonian |
4 |
4 |
0 |
0% |
| gpaw/lcao/tools.py |
lead_kspace2realspace |
17 |
17 |
0 |
0% |
| gpaw/lcao/tools.py |
zeta_pol |
10 |
10 |
0 |
0% |
| gpaw/lcao/tools.py |
basis_subset |
10 |
10 |
0 |
0% |
| gpaw/lcao/tools.py |
basis_subset2 |
6 |
6 |
0 |
0% |
| gpaw/lcao/tools.py |
collect_orbitals |
18 |
15 |
0 |
17% |
| gpaw/lcao/tools.py |
makeU |
62 |
17 |
0 |
73% |
| gpaw/lcao/tools.py |
makeV |
3 |
0 |
0 |
100% |
| gpaw/lcao/tools.py |
_makeV |
48 |
4 |
0 |
92% |
| gpaw/lcao/tools.py |
_makeV.make_optimized |
13 |
0 |
0 |
100% |
| gpaw/lcao/tools.py |
(no function) |
33 |
0 |
0 |
100% |
| gpaw/lcaotddft/__init__.py |
LCAOTDDFT |
11 |
9 |
0 |
18% |
| gpaw/lcaotddft/__init__.py |
OldLCAOTDDFT.__init__ |
15 |
0 |
0 |
100% |
| gpaw/lcaotddft/__init__.py |
OldLCAOTDDFT.write |
1 |
0 |
0 |
100% |
| gpaw/lcaotddft/__init__.py |
OldLCAOTDDFT._write |
5 |
0 |
0 |
100% |
| gpaw/lcaotddft/__init__.py |
OldLCAOTDDFT.read |
11 |
1 |
0 |
91% |
| gpaw/lcaotddft/__init__.py |
OldLCAOTDDFT.tddft_init |
18 |
0 |
0 |
100% |
| gpaw/lcaotddft/__init__.py |
OldLCAOTDDFT.absorption_kick |
18 |
0 |
0 |
100% |
| gpaw/lcaotddft/__init__.py |
OldLCAOTDDFT.kick |
10 |
10 |
0 |
0% |
| gpaw/lcaotddft/__init__.py |
OldLCAOTDDFT.propagate |
11 |
0 |
0 |
100% |
| gpaw/lcaotddft/__init__.py |
OldLCAOTDDFT.replay |
3 |
0 |
0 |
100% |
| gpaw/lcaotddft/__init__.py |
(no function) |
23 |
0 |
0 |
100% |
| gpaw/lcaotddft/densitymatrix.py |
get_density |
27 |
4 |
0 |
85% |
| gpaw/lcaotddft/densitymatrix.py |
DensityMatrix.__init__ |
4 |
0 |
0 |
100% |
| gpaw/lcaotddft/densitymatrix.py |
DensityMatrix.zeros |
4 |
1 |
0 |
75% |
| gpaw/lcaotddft/densitymatrix.py |
DensityMatrix._calculate_density_matrix |
6 |
0 |
0 |
100% |
| gpaw/lcaotddft/densitymatrix.py |
DensityMatrix.get_density_matrix |
7 |
0 |
0 |
100% |
| gpaw/lcaotddft/densitymatrix.py |
DensityMatrix.get_density |
5 |
1 |
0 |
80% |
| gpaw/lcaotddft/densitymatrix.py |
(no function) |
9 |
0 |
0 |
100% |
| gpaw/lcaotddft/dipolemomentwriter.py |
convert_repr |
11 |
1 |
0 |
91% |
| gpaw/lcaotddft/dipolemomentwriter.py |
DipoleMomentWriter.__init__ |
9 |
0 |
0 |
100% |
| gpaw/lcaotddft/dipolemomentwriter.py |
DipoleMomentWriter._write |
2 |
0 |
0 |
100% |
| gpaw/lcaotddft/dipolemomentwriter.py |
DipoleMomentWriter._write_header |
4 |
0 |
0 |
100% |
| gpaw/lcaotddft/dipolemomentwriter.py |
DipoleMomentWriter.read_header |
14 |
0 |
0 |
100% |
| gpaw/lcaotddft/dipolemomentwriter.py |
DipoleMomentWriter._write_init |
3 |
0 |
0 |
100% |
| gpaw/lcaotddft/dipolemomentwriter.py |
DipoleMomentWriter._write_kick |
7 |
0 |
0 |
100% |
| gpaw/lcaotddft/dipolemomentwriter.py |
DipoleMomentWriter.calculate_dipole_moment |
8 |
8 |
0 |
0% |
| gpaw/lcaotddft/dipolemomentwriter.py |
DipoleMomentWriter._write_dm |
18 |
7 |
0 |
61% |
| gpaw/lcaotddft/dipolemomentwriter.py |
DipoleMomentWriter._update |
5 |
0 |
0 |
100% |
| gpaw/lcaotddft/dipolemomentwriter.py |
DipoleMomentWriter.__del__ |
1 |
0 |
0 |
100% |
| gpaw/lcaotddft/dipolemomentwriter.py |
VelocityGaugeWriter.__init__ |
7 |
1 |
0 |
86% |
| gpaw/lcaotddft/dipolemomentwriter.py |
VelocityGaugeWriter._write |
2 |
0 |
0 |
100% |
| gpaw/lcaotddft/dipolemomentwriter.py |
VelocityGaugeWriter._write_header |
3 |
0 |
0 |
100% |
| gpaw/lcaotddft/dipolemomentwriter.py |
VelocityGaugeWriter._read_header |
11 |
11 |
0 |
0% |
| gpaw/lcaotddft/dipolemomentwriter.py |
VelocityGaugeWriter._write_init |
3 |
0 |
0 |
100% |
| gpaw/lcaotddft/dipolemomentwriter.py |
VelocityGaugeWriter._write_kick |
7 |
0 |
0 |
100% |
| gpaw/lcaotddft/dipolemomentwriter.py |
VelocityGaugeWriter._calculate_v |
5 |
0 |
0 |
100% |
| gpaw/lcaotddft/dipolemomentwriter.py |
VelocityGaugeWriter._write_v |
4 |
0 |
0 |
100% |
| gpaw/lcaotddft/dipolemomentwriter.py |
VelocityGaugeWriter._update |
7 |
0 |
0 |
100% |
| gpaw/lcaotddft/dipolemomentwriter.py |
VelocityGaugeWriter.__del__ |
1 |
0 |
0 |
100% |
| gpaw/lcaotddft/dipolemomentwriter.py |
(no function) |
30 |
0 |
0 |
100% |
| gpaw/lcaotddft/energywriter.py |
EnergyWriter.__init__ |
6 |
1 |
0 |
83% |
| gpaw/lcaotddft/energywriter.py |
EnergyWriter._write |
2 |
0 |
0 |
100% |
| gpaw/lcaotddft/energywriter.py |
EnergyWriter._write_header |
5 |
1 |
0 |
80% |
| gpaw/lcaotddft/energywriter.py |
EnergyWriter._write_kick |
5 |
0 |
0 |
100% |
| gpaw/lcaotddft/energywriter.py |
EnergyWriter._get_energies |
24 |
6 |
0 |
75% |
| gpaw/lcaotddft/energywriter.py |
EnergyWriter._write_energy |
4 |
0 |
0 |
100% |
| gpaw/lcaotddft/energywriter.py |
EnergyWriter._update |
6 |
0 |
0 |
100% |
| gpaw/lcaotddft/energywriter.py |
EnergyWriter.__del__ |
1 |
0 |
0 |
100% |
| gpaw/lcaotddft/energywriter.py |
(no function) |
14 |
0 |
0 |
100% |
| gpaw/lcaotddft/frequencydensitymatrix.py |
generate_freq_w |
5 |
0 |
0 |
100% |
| gpaw/lcaotddft/frequencydensitymatrix.py |
FrequencyDensityMatrixReader.__init__ |
11 |
1 |
0 |
91% |
| gpaw/lcaotddft/frequencydensitymatrix.py |
FrequencyDensityMatrixReader.__getattr__ |
11 |
5 |
0 |
55% |
| gpaw/lcaotddft/frequencydensitymatrix.py |
FrequencyDensityMatrixReader.read_FDrho |
3 |
0 |
0 |
100% |
| gpaw/lcaotddft/frequencydensitymatrix.py |
FrequencyDensityMatrixReader.close |
1 |
0 |
0 |
100% |
| gpaw/lcaotddft/frequencydensitymatrix.py |
FrequencyDensityMatrix.__init__ |
24 |
1 |
0 |
96% |
| gpaw/lcaotddft/frequencydensitymatrix.py |
FrequencyDensityMatrix.initialize |
17 |
1 |
0 |
94% |
| gpaw/lcaotddft/frequencydensitymatrix.py |
FrequencyDensityMatrix._update |
28 |
1 |
0 |
96% |
| gpaw/lcaotddft/frequencydensitymatrix.py |
FrequencyDensityMatrix.write_restart |
3 |
3 |
0 |
0% |
| gpaw/lcaotddft/frequencydensitymatrix.py |
FrequencyDensityMatrix.write |
10 |
0 |
0 |
100% |
| gpaw/lcaotddft/frequencydensitymatrix.py |
FrequencyDensityMatrix.read |
11 |
0 |
0 |
100% |
| gpaw/lcaotddft/frequencydensitymatrix.py |
(no function) |
25 |
0 |
0 |
100% |
| gpaw/lcaotddft/hamiltonian.py |
TimeDependentPotential.__init__ |
3 |
0 |
0 |
100% |
| gpaw/lcaotddft/hamiltonian.py |
TimeDependentPotential.add |
2 |
0 |
0 |
100% |
| gpaw/lcaotddft/hamiltonian.py |
TimeDependentPotential.initialize |
16 |
0 |
0 |
100% |
| gpaw/lcaotddft/hamiltonian.py |
TimeDependentPotential.get_MM |
4 |
1 |
0 |
75% |
| gpaw/lcaotddft/hamiltonian.py |
TimeDependentPotential.write |
3 |
0 |
0 |
100% |
| gpaw/lcaotddft/hamiltonian.py |
TimeDependentPotential.read |
4 |
0 |
0 |
100% |
| gpaw/lcaotddft/hamiltonian.py |
KickHamiltonian.__init__ |
16 |
0 |
0 |
100% |
| gpaw/lcaotddft/hamiltonian.py |
TimeDependentHamiltonian.__init__ |
14 |
1 |
0 |
93% |
| gpaw/lcaotddft/hamiltonian.py |
TimeDependentHamiltonian.write |
8 |
1 |
0 |
88% |
| gpaw/lcaotddft/hamiltonian.py |
TimeDependentHamiltonian.write_fxc |
2 |
0 |
0 |
100% |
| gpaw/lcaotddft/hamiltonian.py |
TimeDependentHamiltonian.write_scale |
2 |
2 |
0 |
0% |
| gpaw/lcaotddft/hamiltonian.py |
TimeDependentHamiltonian.read |
15 |
1 |
0 |
93% |
| gpaw/lcaotddft/hamiltonian.py |
TimeDependentHamiltonian.read_fxc |
3 |
0 |
0 |
100% |
| gpaw/lcaotddft/hamiltonian.py |
TimeDependentHamiltonian.read_scale |
4 |
4 |
0 |
0% |
| gpaw/lcaotddft/hamiltonian.py |
TimeDependentHamiltonian.initialize |
15 |
0 |
0 |
100% |
| gpaw/lcaotddft/hamiltonian.py |
TimeDependentHamiltonian.initialize_fxc |
21 |
0 |
0 |
100% |
| gpaw/lcaotddft/hamiltonian.py |
TimeDependentHamiltonian.initialize_fxc.get_H_MM |
1 |
0 |
0 |
100% |
| gpaw/lcaotddft/hamiltonian.py |
TimeDependentHamiltonian.initialize_scale |
9 |
7 |
0 |
22% |
| gpaw/lcaotddft/hamiltonian.py |
TimeDependentHamiltonian.initialize_scale.get_H_MM |
1 |
1 |
0 |
0% |
| gpaw/lcaotddft/hamiltonian.py |
TimeDependentHamiltonian.update_projectors |
4 |
0 |
0 |
100% |
| gpaw/lcaotddft/hamiltonian.py |
TimeDependentHamiltonian.get_hamiltonian_matrix |
19 |
2 |
0 |
89% |
| gpaw/lcaotddft/hamiltonian.py |
TimeDependentHamiltonian.update |
7 |
0 |
0 |
100% |
| gpaw/lcaotddft/hamiltonian.py |
(no function) |
30 |
0 |
0 |
100% |
| gpaw/lcaotddft/ksdecomposition.py |
gauss_ij |
3 |
3 |
0 |
0% |
| gpaw/lcaotddft/ksdecomposition.py |
get_bfs_maps |
13 |
0 |
0 |
100% |
| gpaw/lcaotddft/ksdecomposition.py |
KohnShamDecomposition.__init__ |
22 |
1 |
0 |
95% |
| gpaw/lcaotddft/ksdecomposition.py |
KohnShamDecomposition.initialize |
103 |
4 |
0 |
96% |
| gpaw/lcaotddft/ksdecomposition.py |
KohnShamDecomposition.write |
14 |
0 |
0 |
100% |
| gpaw/lcaotddft/ksdecomposition.py |
KohnShamDecomposition.read |
6 |
1 |
0 |
83% |
| gpaw/lcaotddft/ksdecomposition.py |
KohnShamDecomposition.__getattr__ |
36 |
8 |
0 |
78% |
| gpaw/lcaotddft/ksdecomposition.py |
KohnShamDecomposition.distribute |
8 |
8 |
0 |
0% |
| gpaw/lcaotddft/ksdecomposition.py |
KohnShamDecomposition.distribute_p |
7 |
7 |
0 |
0% |
| gpaw/lcaotddft/ksdecomposition.py |
KohnShamDecomposition.collect_q |
8 |
8 |
0 |
0% |
| gpaw/lcaotddft/ksdecomposition.py |
KohnShamDecomposition.distribute_xp |
5 |
5 |
0 |
0% |
| gpaw/lcaotddft/ksdecomposition.py |
KohnShamDecomposition.transform |
23 |
2 |
0 |
91% |
| gpaw/lcaotddft/ksdecomposition.py |
KohnShamDecomposition.ialims |
7 |
0 |
0 |
100% |
| gpaw/lcaotddft/ksdecomposition.py |
KohnShamDecomposition.M_p_to_M_ia |
1 |
1 |
0 |
0% |
| gpaw/lcaotddft/ksdecomposition.py |
KohnShamDecomposition.M_ia_from_M_p |
5 |
0 |
0 |
100% |
| gpaw/lcaotddft/ksdecomposition.py |
KohnShamDecomposition.plot_matrix |
5 |
5 |
0 |
0% |
| gpaw/lcaotddft/ksdecomposition.py |
KohnShamDecomposition.get_dipole_moment_contributions |
5 |
5 |
0 |
0% |
| gpaw/lcaotddft/ksdecomposition.py |
KohnShamDecomposition.get_dipole_moment |
5 |
0 |
0 |
100% |
| gpaw/lcaotddft/ksdecomposition.py |
KohnShamDecomposition.get_density |
15 |
1 |
0 |
93% |
| gpaw/lcaotddft/ksdecomposition.py |
KohnShamDecomposition.get_contributions_table |
24 |
24 |
0 |
0% |
| gpaw/lcaotddft/ksdecomposition.py |
KohnShamDecomposition.plot_TCM |
5 |
5 |
0 |
0% |
| gpaw/lcaotddft/ksdecomposition.py |
KohnShamDecomposition.get_TCM |
6 |
6 |
0 |
0% |
| gpaw/lcaotddft/ksdecomposition.py |
KohnShamDecomposition.get_DOS |
1 |
1 |
0 |
0% |
| gpaw/lcaotddft/ksdecomposition.py |
KohnShamDecomposition.get_weighted_DOS |
7 |
7 |
0 |
0% |
| gpaw/lcaotddft/ksdecomposition.py |
KohnShamDecomposition.get_weight_n_by_l |
4 |
4 |
0 |
0% |
| gpaw/lcaotddft/ksdecomposition.py |
KohnShamDecomposition.get_weight_n_by_a |
4 |
4 |
0 |
0% |
| gpaw/lcaotddft/ksdecomposition.py |
KohnShamDecomposition.get_distribution_i |
6 |
6 |
0 |
0% |
| gpaw/lcaotddft/ksdecomposition.py |
KohnShamDecomposition.get_distribution_a |
6 |
6 |
0 |
0% |
| gpaw/lcaotddft/ksdecomposition.py |
KohnShamDecomposition.get_distribution_ia |
8 |
8 |
0 |
0% |
| gpaw/lcaotddft/ksdecomposition.py |
KohnShamDecomposition.get_distribution |
6 |
6 |
0 |
0% |
| gpaw/lcaotddft/ksdecomposition.py |
KohnShamDecomposition.get_eig_n |
9 |
9 |
0 |
0% |
| gpaw/lcaotddft/ksdecomposition.py |
KohnShamDecomposition.filter_by_x_p |
2 |
2 |
0 |
0% |
| gpaw/lcaotddft/ksdecomposition.py |
KohnShamDecomposition.filter_by_x_i |
1 |
1 |
0 |
0% |
| gpaw/lcaotddft/ksdecomposition.py |
KohnShamDecomposition.filter_by_x_a |
1 |
1 |
0 |
0% |
| gpaw/lcaotddft/ksdecomposition.py |
KohnShamDecomposition.filter_by_x_ia |
4 |
4 |
0 |
0% |
| gpaw/lcaotddft/ksdecomposition.py |
KohnShamDecomposition.__del__ |
2 |
0 |
0 |
100% |
| gpaw/lcaotddft/ksdecomposition.py |
(no function) |
57 |
0 |
0 |
100% |
| gpaw/lcaotddft/laser.py |
create_laser |
11 |
2 |
0 |
82% |
| gpaw/lcaotddft/laser.py |
register_custom_laser |
3 |
1 |
0 |
67% |
| gpaw/lcaotddft/laser.py |
_register_known_lasers |
2 |
0 |
0 |
100% |
| gpaw/lcaotddft/laser.py |
Laser.__init__ |
1 |
1 |
0 |
0% |
| gpaw/lcaotddft/laser.py |
Laser.strength |
1 |
1 |
0 |
0% |
| gpaw/lcaotddft/laser.py |
Laser.derivative |
1 |
1 |
0 |
0% |
| gpaw/lcaotddft/laser.py |
Laser.fourier |
1 |
1 |
0 |
0% |
| gpaw/lcaotddft/laser.py |
Laser.write |
8 |
8 |
0 |
0% |
| gpaw/lcaotddft/laser.py |
SumLaser.__init__ |
7 |
7 |
0 |
0% |
| gpaw/lcaotddft/laser.py |
SumLaser.strength |
4 |
4 |
0 |
0% |
| gpaw/lcaotddft/laser.py |
SumLaser.fourier |
4 |
4 |
0 |
0% |
| gpaw/lcaotddft/laser.py |
SumLaser.todict |
1 |
1 |
0 |
0% |
| gpaw/lcaotddft/laser.py |
GaussianPulse.__init__ |
8 |
0 |
0 |
100% |
| gpaw/lcaotddft/laser.py |
GaussianPulse.strength |
6 |
1 |
0 |
83% |
| gpaw/lcaotddft/laser.py |
GaussianPulse.derivative |
6 |
6 |
0 |
0% |
| gpaw/lcaotddft/laser.py |
GaussianPulse.fourier |
4 |
4 |
0 |
0% |
| gpaw/lcaotddft/laser.py |
GaussianPulse.todict |
1 |
0 |
0 |
100% |
| gpaw/lcaotddft/laser.py |
SincPulse.__init__ |
6 |
1 |
0 |
83% |
| gpaw/lcaotddft/laser.py |
SincPulse.strength |
2 |
0 |
0 |
100% |
| gpaw/lcaotddft/laser.py |
SincPulse.derivative |
1 |
1 |
0 |
0% |
| gpaw/lcaotddft/laser.py |
SincPulse.fourier |
1 |
1 |
0 |
0% |
| gpaw/lcaotddft/laser.py |
SincPulse.todict |
1 |
0 |
0 |
100% |
| gpaw/lcaotddft/laser.py |
(no function) |
32 |
0 |
0 |
100% |
| gpaw/lcaotddft/linedensity.py |
LineDensityReader.__init__ |
5 |
5 |
0 |
0% |
| gpaw/lcaotddft/linedensity.py |
LineDensityReader.__getattr__ |
1 |
1 |
0 |
0% |
| gpaw/lcaotddft/linedensity.py |
LineDensityReader.kick_strength |
4 |
4 |
0 |
0% |
| gpaw/lcaotddft/linedensity.py |
LineDensityReader.read |
17 |
17 |
0 |
0% |
| gpaw/lcaotddft/linedensity.py |
LineDensityReader.close |
1 |
1 |
0 |
0% |
| gpaw/lcaotddft/linedensity.py |
LineDensityWriter.__init__ |
19 |
19 |
0 |
0% |
| gpaw/lcaotddft/linedensity.py |
LineDensityWriter._update |
21 |
21 |
0 |
0% |
| gpaw/lcaotddft/linedensity.py |
LineDensityWriter.__del__ |
1 |
1 |
0 |
0% |
| gpaw/lcaotddft/linedensity.py |
(no function) |
17 |
0 |
0 |
100% |
| gpaw/lcaotddft/logger.py |
TDDFTLogger.__init__ |
4 |
0 |
0 |
100% |
| gpaw/lcaotddft/logger.py |
TDDFTLogger._update |
3 |
0 |
0 |
100% |
| gpaw/lcaotddft/logger.py |
TDDFTLogger._write_header |
5 |
0 |
0 |
100% |
| gpaw/lcaotddft/logger.py |
TDDFTLogger._write_data |
8 |
0 |
0 |
100% |
| gpaw/lcaotddft/logger.py |
(no function) |
9 |
0 |
0 |
100% |
| gpaw/lcaotddft/magneticmomentwriter.py |
calculate_magnetic_moment_on_grid |
31 |
1 |
0 |
97% |
| gpaw/lcaotddft/magneticmomentwriter.py |
calculate_magnetic_moment_atomic_corrections |
15 |
0 |
0 |
100% |
| gpaw/lcaotddft/magneticmomentwriter.py |
calculate_magnetic_moment_atomic_corrections.shape |
2 |
0 |
0 |
100% |
| gpaw/lcaotddft/magneticmomentwriter.py |
calculate_magnetic_moment_matrix |
23 |
0 |
0 |
100% |
| gpaw/lcaotddft/magneticmomentwriter.py |
calculate_magnetic_moment_in_lcao |
5 |
0 |
0 |
100% |
| gpaw/lcaotddft/magneticmomentwriter.py |
get_origin_coordinates |
9 |
2 |
0 |
78% |
| gpaw/lcaotddft/magneticmomentwriter.py |
parse_header |
11 |
0 |
0 |
100% |
| gpaw/lcaotddft/magneticmomentwriter.py |
MagneticMomentWriter.__init__ |
57 |
4 |
0 |
93% |
| gpaw/lcaotddft/magneticmomentwriter.py |
MagneticMomentWriter._write |
2 |
0 |
0 |
100% |
| gpaw/lcaotddft/magneticmomentwriter.py |
MagneticMomentWriter._write_header |
4 |
0 |
0 |
100% |
| gpaw/lcaotddft/magneticmomentwriter.py |
MagneticMomentWriter._read_header |
11 |
4 |
0 |
64% |
| gpaw/lcaotddft/magneticmomentwriter.py |
MagneticMomentWriter._write_init |
3 |
0 |
0 |
100% |
| gpaw/lcaotddft/magneticmomentwriter.py |
MagneticMomentWriter._write_kick |
7 |
0 |
0 |
100% |
| gpaw/lcaotddft/magneticmomentwriter.py |
MagneticMomentWriter._calculate_mm |
14 |
0 |
0 |
100% |
| gpaw/lcaotddft/magneticmomentwriter.py |
MagneticMomentWriter._write_mm |
4 |
0 |
0 |
100% |
| gpaw/lcaotddft/magneticmomentwriter.py |
MagneticMomentWriter._update |
5 |
0 |
0 |
100% |
| gpaw/lcaotddft/magneticmomentwriter.py |
MagneticMomentWriter.__del__ |
1 |
0 |
0 |
100% |
| gpaw/lcaotddft/magneticmomentwriter.py |
(no function) |
30 |
0 |
0 |
100% |
| gpaw/lcaotddft/observer.py |
TDDFTObserver.__init__ |
4 |
0 |
0 |
100% |
| gpaw/lcaotddft/observer.py |
TDDFTObserver.update |
3 |
0 |
0 |
100% |
| gpaw/lcaotddft/observer.py |
TDDFTObserver._update |
1 |
1 |
0 |
0% |
| gpaw/lcaotddft/observer.py |
TDDFTObserver.__str__ |
1 |
1 |
0 |
0% |
| gpaw/lcaotddft/observer.py |
(no function) |
7 |
0 |
0 |
100% |
| gpaw/lcaotddft/propagators.py |
create_propagator |
16 |
2 |
0 |
88% |
| gpaw/lcaotddft/propagators.py |
equal |
1 |
0 |
0 |
100% |
| gpaw/lcaotddft/propagators.py |
Propagator.__init__ |
1 |
0 |
0 |
100% |
| gpaw/lcaotddft/propagators.py |
Propagator.initialize |
2 |
0 |
0 |
100% |
| gpaw/lcaotddft/propagators.py |
Propagator.kick |
1 |
1 |
0 |
0% |
| gpaw/lcaotddft/propagators.py |
Propagator.propagate |
1 |
1 |
0 |
0% |
| gpaw/lcaotddft/propagators.py |
Propagator.control_paw |
1 |
1 |
0 |
0% |
| gpaw/lcaotddft/propagators.py |
Propagator.todict |
1 |
1 |
0 |
0% |
| gpaw/lcaotddft/propagators.py |
Propagator.get_description |
1 |
0 |
0 |
100% |
| gpaw/lcaotddft/propagators.py |
LCAOPropagator.__init__ |
1 |
0 |
0 |
100% |
| gpaw/lcaotddft/propagators.py |
LCAOPropagator.initialize |
4 |
0 |
0 |
100% |
| gpaw/lcaotddft/propagators.py |
ReplayPropagator.__init__ |
7 |
0 |
0 |
100% |
| gpaw/lcaotddft/propagators.py |
ReplayPropagator._align_read_index |
7 |
1 |
0 |
86% |
| gpaw/lcaotddft/propagators.py |
ReplayPropagator._read |
5 |
0 |
0 |
100% |
| gpaw/lcaotddft/propagators.py |
ReplayPropagator.kick |
4 |
0 |
0 |
100% |
| gpaw/lcaotddft/propagators.py |
ReplayPropagator.propagate |
5 |
0 |
0 |
100% |
| gpaw/lcaotddft/propagators.py |
ReplayPropagator.control_paw |
33 |
1 |
0 |
97% |
| gpaw/lcaotddft/propagators.py |
ReplayPropagator.__del__ |
1 |
0 |
0 |
100% |
| gpaw/lcaotddft/propagators.py |
ReplayPropagator.todict |
1 |
1 |
0 |
0% |
| gpaw/lcaotddft/propagators.py |
ReplayPropagator.get_description |
4 |
0 |
0 |
100% |
| gpaw/lcaotddft/propagators.py |
ECNPropagator.__init__ |
2 |
0 |
0 |
100% |
| gpaw/lcaotddft/propagators.py |
ECNPropagator.initialize |
27 |
2 |
0 |
93% |
| gpaw/lcaotddft/propagators.py |
ECNPropagator.calculate_velocity_operator_matrix |
25 |
0 |
0 |
100% |
| gpaw/lcaotddft/propagators.py |
ECNPropagator.velocity_gauge_kick |
4 |
0 |
0 |
100% |
| gpaw/lcaotddft/propagators.py |
ECNPropagator.kick |
7 |
0 |
0 |
100% |
| gpaw/lcaotddft/propagators.py |
ECNPropagator.propagate |
6 |
0 |
0 |
100% |
| gpaw/lcaotddft/propagators.py |
ECNPropagator.propagate_wfs_blacs |
14 |
2 |
0 |
86% |
| gpaw/lcaotddft/propagators.py |
ECNPropagator.propagate_wfs_numpy |
3 |
0 |
0 |
100% |
| gpaw/lcaotddft/propagators.py |
ECNPropagator.blacs_mm_to_global |
3 |
3 |
0 |
0% |
| gpaw/lcaotddft/propagators.py |
ECNPropagator.blacs_nm_to_global |
1 |
1 |
0 |
0% |
| gpaw/lcaotddft/propagators.py |
ECNPropagator.todict |
1 |
1 |
0 |
0% |
| gpaw/lcaotddft/propagators.py |
SICNPropagator.__init__ |
1 |
0 |
0 |
100% |
| gpaw/lcaotddft/propagators.py |
SICNPropagator.initialize |
3 |
0 |
0 |
100% |
| gpaw/lcaotddft/propagators.py |
SICNPropagator.propagate |
13 |
0 |
0 |
100% |
| gpaw/lcaotddft/propagators.py |
SICNPropagator.save_wfs |
2 |
0 |
0 |
100% |
| gpaw/lcaotddft/propagators.py |
SICNPropagator.todict |
1 |
0 |
0 |
100% |
| gpaw/lcaotddft/propagators.py |
SelfConsistentPropagator.__init__ |
4 |
0 |
0 |
100% |
| gpaw/lcaotddft/propagators.py |
SelfConsistentPropagator.propagate |
25 |
1 |
0 |
96% |
| gpaw/lcaotddft/propagators.py |
SelfConsistentPropagator.todict |
1 |
0 |
0 |
100% |
| gpaw/lcaotddft/propagators.py |
TaylorPropagator.__init__ |
2 |
2 |
0 |
0% |
| gpaw/lcaotddft/propagators.py |
TaylorPropagator.initialize |
8 |
8 |
0 |
0% |
| gpaw/lcaotddft/propagators.py |
TaylorPropagator.taylor_propagator |
30 |
30 |
0 |
0% |
| gpaw/lcaotddft/propagators.py |
(no function) |
58 |
0 |
0 |
100% |
| gpaw/lcaotddft/qed.py |
create_environment |
10 |
3 |
0 |
70% |
| gpaw/lcaotddft/qed.py |
forward_finite_difference |
9 |
0 |
0 |
100% |
| gpaw/lcaotddft/qed.py |
calculate_first_derivative |
4 |
0 |
0 |
100% |
| gpaw/lcaotddft/qed.py |
calculate_third_derivative |
4 |
4 |
0 |
0% |
| gpaw/lcaotddft/qed.py |
RRemission.__init__ |
9 |
1 |
0 |
89% |
| gpaw/lcaotddft/qed.py |
RRemission.read |
2 |
0 |
0 |
100% |
| gpaw/lcaotddft/qed.py |
RRemission.write |
3 |
0 |
0 |
100% |
| gpaw/lcaotddft/qed.py |
RRemission.from_reader |
4 |
0 |
0 |
100% |
| gpaw/lcaotddft/qed.py |
RRemission.initialize |
22 |
0 |
0 |
100% |
| gpaw/lcaotddft/qed.py |
RRemission.record_dipole |
1 |
0 |
0 |
100% |
| gpaw/lcaotddft/qed.py |
RRemission.update_dipole |
8 |
1 |
0 |
88% |
| gpaw/lcaotddft/qed.py |
RRemission.get_MM |
7 |
0 |
0 |
100% |
| gpaw/lcaotddft/qed.py |
RRemission.vradiationreaction |
4 |
0 |
0 |
100% |
| gpaw/lcaotddft/qed.py |
Environment.write |
1 |
0 |
0 |
100% |
| gpaw/lcaotddft/qed.py |
Environment.radiation_reaction_field |
1 |
1 |
0 |
0% |
| gpaw/lcaotddft/qed.py |
Environment.todict |
1 |
1 |
0 |
0% |
| gpaw/lcaotddft/qed.py |
WaveguideEnvironment.__init__ |
2 |
0 |
0 |
100% |
| gpaw/lcaotddft/qed.py |
WaveguideEnvironment.radiation_reaction_field |
3 |
0 |
0 |
100% |
| gpaw/lcaotddft/qed.py |
WaveguideEnvironment.todict |
1 |
0 |
0 |
100% |
| gpaw/lcaotddft/qed.py |
(no function) |
32 |
0 |
0 |
100% |
| gpaw/lcaotddft/quadrupolemomentwriter.py |
calculate_quadrupole_moments |
10 |
10 |
0 |
0% |
| gpaw/lcaotddft/quadrupolemomentwriter.py |
QuadrupoleMomentWriter.__init__ |
11 |
11 |
0 |
0% |
| gpaw/lcaotddft/quadrupolemomentwriter.py |
QuadrupoleMomentWriter._write |
2 |
2 |
0 |
0% |
| gpaw/lcaotddft/quadrupolemomentwriter.py |
QuadrupoleMomentWriter._write_header |
7 |
7 |
0 |
0% |
| gpaw/lcaotddft/quadrupolemomentwriter.py |
QuadrupoleMomentWriter.read_header |
9 |
9 |
0 |
0% |
| gpaw/lcaotddft/quadrupolemomentwriter.py |
QuadrupoleMomentWriter._write_kick |
4 |
4 |
0 |
0% |
| gpaw/lcaotddft/quadrupolemomentwriter.py |
QuadrupoleMomentWriter._write_dm |
16 |
16 |
0 |
0% |
| gpaw/lcaotddft/quadrupolemomentwriter.py |
QuadrupoleMomentWriter._update |
5 |
5 |
0 |
0% |
| gpaw/lcaotddft/quadrupolemomentwriter.py |
QuadrupoleMomentWriter.__del__ |
1 |
1 |
0 |
0% |
| gpaw/lcaotddft/quadrupolemomentwriter.py |
(no function) |
15 |
0 |
0 |
100% |
| gpaw/lcaotddft/restartfilewriter.py |
RestartFileWriter.__init__ |
2 |
0 |
0 |
100% |
| gpaw/lcaotddft/restartfilewriter.py |
RestartFileWriter._update |
7 |
5 |
0 |
29% |
| gpaw/lcaotddft/restartfilewriter.py |
(no function) |
4 |
0 |
0 |
100% |
| gpaw/lcaotddft/tcm.py |
generate_gridspec |
5 |
5 |
0 |
0% |
| gpaw/lcaotddft/tcm.py |
plot_DOS |
25 |
25 |
0 |
0% |
| gpaw/lcaotddft/tcm.py |
plot_DOS.plot |
1 |
1 |
0 |
0% |
| gpaw/lcaotddft/tcm.py |
TCM.__init__ |
5 |
5 |
0 |
0% |
| gpaw/lcaotddft/tcm.py |
TCM.__getattr__ |
15 |
15 |
0 |
0% |
| gpaw/lcaotddft/tcm.py |
TCM.plot_TCM |
47 |
47 |
0 |
0% |
| gpaw/lcaotddft/tcm.py |
TCM.plot_TCM.transform_to_hsv |
8 |
8 |
0 |
0% |
| gpaw/lcaotddft/tcm.py |
TCM.plot_DOS |
12 |
12 |
0 |
0% |
| gpaw/lcaotddft/tcm.py |
TCM.plot_spectrum |
1 |
1 |
0 |
0% |
| gpaw/lcaotddft/tcm.py |
TCM.plot_TCM_diagonal |
2 |
2 |
0 |
0% |
| gpaw/lcaotddft/tcm.py |
TCM.set_title |
1 |
1 |
0 |
0% |
| gpaw/lcaotddft/tcm.py |
TCMPlotter.__init__ |
5 |
5 |
0 |
0% |
| gpaw/lcaotddft/tcm.py |
TCMPlotter.plot_TCM |
2 |
2 |
0 |
0% |
| gpaw/lcaotddft/tcm.py |
TCMPlotter.plot_DOS |
2 |
2 |
0 |
0% |
| gpaw/lcaotddft/tcm.py |
(no function) |
15 |
0 |
0 |
100% |
| gpaw/lcaotddft/timedensitymatrix.py |
TimeDensityMatrix.__init__ |
7 |
7 |
0 |
0% |
| gpaw/lcaotddft/timedensitymatrix.py |
TimeDensityMatrix._update |
6 |
6 |
0 |
0% |
| gpaw/lcaotddft/timedensitymatrix.py |
(no function) |
7 |
0 |
0 |
100% |
| gpaw/lcaotddft/utilities.py |
collect_uX |
14 |
5 |
0 |
64% |
| gpaw/lcaotddft/utilities.py |
write_uX |
8 |
0 |
0 |
100% |
| gpaw/lcaotddft/utilities.py |
read_uX |
6 |
0 |
0 |
100% |
| gpaw/lcaotddft/utilities.py |
distribute_nM |
10 |
1 |
0 |
90% |
| gpaw/lcaotddft/utilities.py |
collect_MM |
10 |
0 |
0 |
100% |
| gpaw/lcaotddft/utilities.py |
collect_uMM |
1 |
1 |
0 |
0% |
| gpaw/lcaotddft/utilities.py |
collect_wuMM |
18 |
7 |
0 |
61% |
| gpaw/lcaotddft/utilities.py |
distribute_MM |
12 |
1 |
0 |
92% |
| gpaw/lcaotddft/utilities.py |
write_uMM |
1 |
0 |
0 |
100% |
| gpaw/lcaotddft/utilities.py |
write_wuMM |
8 |
0 |
0 |
100% |
| gpaw/lcaotddft/utilities.py |
read_uMM |
1 |
0 |
0 |
100% |
| gpaw/lcaotddft/utilities.py |
read_wuMM |
10 |
0 |
0 |
100% |
| gpaw/lcaotddft/utilities.py |
(no function) |
15 |
0 |
0 |
100% |
| gpaw/lcaotddft/wfwriter.py |
WaveFunctionReader.__init__ |
13 |
1 |
0 |
92% |
| gpaw/lcaotddft/wfwriter.py |
WaveFunctionReader.__getattr__ |
21 |
4 |
0 |
81% |
| gpaw/lcaotddft/wfwriter.py |
WaveFunctionReader.__len__ |
1 |
0 |
0 |
100% |
| gpaw/lcaotddft/wfwriter.py |
WaveFunctionReader.__getitem__ |
1 |
0 |
0 |
100% |
| gpaw/lcaotddft/wfwriter.py |
WaveFunctionReader.close |
5 |
0 |
0 |
100% |
| gpaw/lcaotddft/wfwriter.py |
WaveFunctionReader.__del__ |
1 |
0 |
0 |
100% |
| gpaw/lcaotddft/wfwriter.py |
WaveFunctionWriter.__init__ |
17 |
0 |
0 |
100% |
| gpaw/lcaotddft/wfwriter.py |
WaveFunctionWriter._update |
14 |
0 |
0 |
100% |
| gpaw/lcaotddft/wfwriter.py |
WaveFunctionWriter.__del__ |
1 |
0 |
0 |
100% |
| gpaw/lcaotddft/wfwriter.py |
(no function) |
17 |
0 |
0 |
100% |
| gpaw/lfc.py |
Sphere.__init__ |
11 |
0 |
0 |
100% |
| gpaw/lfc.py |
Sphere.set_position |
33 |
5 |
0 |
85% |
| gpaw/lfc.py |
Sphere.get_function_count |
1 |
0 |
0 |
100% |
| gpaw/lfc.py |
Sphere.normalize |
41 |
11 |
0 |
73% |
| gpaw/lfc.py |
Sphere.estimate_gridpointcount |
6 |
0 |
0 |
100% |
| gpaw/lfc.py |
BaseLFC.dict |
16 |
0 |
0 |
100% |
| gpaw/lfc.py |
BaseLFC.estimate_memory |
5 |
0 |
0 |
100% |
| gpaw/lfc.py |
LocalizedFunctionsCollection.__init__ |
21 |
0 |
0 |
100% |
| gpaw/lfc.py |
LocalizedFunctionsCollection.set_positions |
19 |
1 |
0 |
95% |
| gpaw/lfc.py |
LocalizedFunctionsCollection._update |
74 |
2 |
0 |
97% |
| gpaw/lfc.py |
LocalizedFunctionsCollection.M_to_ai |
6 |
6 |
0 |
0% |
| gpaw/lfc.py |
LocalizedFunctionsCollection.ai_to_M |
6 |
6 |
0 |
0% |
| gpaw/lfc.py |
LocalizedFunctionsCollection.add |
53 |
8 |
0 |
85% |
| gpaw/lfc.py |
LocalizedFunctionsCollection.add_derivative |
34 |
34 |
0 |
0% |
| gpaw/lfc.py |
LocalizedFunctionsCollection.integrate |
55 |
13 |
0 |
76% |
| gpaw/lfc.py |
LocalizedFunctionsCollection.derivative |
53 |
10 |
0 |
81% |
| gpaw/lfc.py |
LocalizedFunctionsCollection._normalized_derivative |
51 |
10 |
0 |
80% |
| gpaw/lfc.py |
LocalizedFunctionsCollection.second_derivative |
49 |
10 |
0 |
80% |
| gpaw/lfc.py |
LocalizedFunctionsCollection.griditer |
11 |
11 |
0 |
0% |
| gpaw/lfc.py |
LocalizedFunctionsCollection.get_function_count |
1 |
0 |
0 |
100% |
| gpaw/lfc.py |
BasisFunctions.__init__ |
4 |
0 |
0 |
100% |
| gpaw/lfc.py |
BasisFunctions.set_positions |
3 |
0 |
0 |
100% |
| gpaw/lfc.py |
BasisFunctions._update |
4 |
0 |
0 |
100% |
| gpaw/lfc.py |
BasisFunctions.create_displacement_arrays |
20 |
0 |
0 |
100% |
| gpaw/lfc.py |
BasisFunctions.set_matrix_distribution |
3 |
0 |
0 |
100% |
| gpaw/lfc.py |
BasisFunctions.add_to_density |
10 |
0 |
0 |
100% |
| gpaw/lfc.py |
BasisFunctions.construct_density |
1 |
0 |
0 |
100% |
| gpaw/lfc.py |
BasisFunctions.integrate2 |
6 |
0 |
0 |
100% |
| gpaw/lfc.py |
BasisFunctions.calculate_potential_matrices |
7 |
0 |
0 |
100% |
| gpaw/lfc.py |
BasisFunctions.calculate_potential_matrix |
2 |
0 |
0 |
100% |
| gpaw/lfc.py |
BasisFunctions.lcao_to_grid |
16 |
2 |
0 |
88% |
| gpaw/lfc.py |
BasisFunctions.calculate_potential_matrix_derivative |
8 |
0 |
0 |
100% |
| gpaw/lfc.py |
BasisFunctions.calculate_force_contribution |
25 |
1 |
0 |
96% |
| gpaw/lfc.py |
LFC |
3 |
0 |
0 |
100% |
| gpaw/lfc.py |
test |
17 |
17 |
0 |
0% |
| gpaw/lfc.py |
(no function) |
52 |
1 |
0 |
98% |
| gpaw/lrtddft/__init__.py |
LrTDDFT.__init__ |
21 |
4 |
0 |
81% |
| gpaw/lrtddft/__init__.py |
LrTDDFT.calculator |
1 |
0 |
0 |
100% |
| gpaw/lrtddft/__init__.py |
LrTDDFT.calculator |
5 |
0 |
0 |
100% |
| gpaw/lrtddft/__init__.py |
LrTDDFT.set |
10 |
1 |
0 |
90% |
| gpaw/lrtddft/__init__.py |
LrTDDFT.analyse |
8 |
2 |
0 |
75% |
| gpaw/lrtddft/__init__.py |
LrTDDFT.calculate |
5 |
0 |
0 |
100% |
| gpaw/lrtddft/__init__.py |
LrTDDFT.forced_update |
16 |
0 |
0 |
100% |
| gpaw/lrtddft/__init__.py |
LrTDDFT.diagonalize |
17 |
0 |
0 |
100% |
| gpaw/lrtddft/__init__.py |
LrTDDFT.read |
55 |
3 |
0 |
95% |
| gpaw/lrtddft/__init__.py |
LrTDDFT.kss |
1 |
0 |
0 |
100% |
| gpaw/lrtddft/__init__.py |
LrTDDFT.singlets_triplets |
4 |
0 |
0 |
100% |
| gpaw/lrtddft/__init__.py |
LrTDDFT.single_pole_approximation |
3 |
3 |
0 |
0% |
| gpaw/lrtddft/__init__.py |
LrTDDFT.__str__ |
4 |
0 |
0 |
100% |
| gpaw/lrtddft/__init__.py |
LrTDDFT.write |
32 |
3 |
0 |
91% |
| gpaw/lrtddft/__init__.py |
LrTDDFT.overlap |
4 |
0 |
0 |
100% |
| gpaw/lrtddft/__init__.py |
LrTDDFT.__getitem__ |
3 |
0 |
0 |
100% |
| gpaw/lrtddft/__init__.py |
LrTDDFT.__iter__ |
3 |
0 |
0 |
100% |
| gpaw/lrtddft/__init__.py |
LrTDDFT.__len__ |
3 |
0 |
0 |
100% |
| gpaw/lrtddft/__init__.py |
LrTDDFT.__del__ |
4 |
2 |
0 |
50% |
| gpaw/lrtddft/__init__.py |
LrTDDFTExcitation.__init__ |
33 |
11 |
0 |
67% |
| gpaw/lrtddft/__init__.py |
LrTDDFTExcitation.density_change |
1 |
1 |
0 |
0% |
| gpaw/lrtddft/__init__.py |
LrTDDFTExcitation.fromstring |
8 |
1 |
0 |
88% |
| gpaw/lrtddft/__init__.py |
LrTDDFTExcitation.outstring |
12 |
0 |
0 |
100% |
| gpaw/lrtddft/__init__.py |
LrTDDFTExcitation.__str__ |
7 |
0 |
0 |
100% |
| gpaw/lrtddft/__init__.py |
LrTDDFTExcitation.analyse |
14 |
0 |
0 |
100% |
| gpaw/lrtddft/__init__.py |
LrTDDFTExcitation.analyse.sqr |
1 |
0 |
0 |
100% |
| gpaw/lrtddft/__init__.py |
photoabsorption_spectrum |
1 |
0 |
0 |
100% |
| gpaw/lrtddft/__init__.py |
(no function) |
48 |
0 |
0 |
100% |
| gpaw/lrtddft/apmb.py |
ApmB.get_full |
14 |
1 |
0 |
93% |
| gpaw/lrtddft/apmb.py |
ApmB.get_rpa |
112 |
5 |
0 |
96% |
| gpaw/lrtddft/apmb.py |
ApmB.Coulomb_integral_name |
5 |
0 |
0 |
100% |
| gpaw/lrtddft/apmb.py |
ApmB.Coulomb_integral_name.ij_name |
1 |
0 |
0 |
100% |
| gpaw/lrtddft/apmb.py |
ApmB.Coulomb_integral_ijkq |
19 |
2 |
0 |
89% |
| gpaw/lrtddft/apmb.py |
ApmB.timestring |
16 |
6 |
0 |
62% |
| gpaw/lrtddft/apmb.py |
ApmB.mapAB |
12 |
2 |
0 |
83% |
| gpaw/lrtddft/apmb.py |
ApmB.diagonalize |
16 |
3 |
0 |
81% |
| gpaw/lrtddft/apmb.py |
ApmB.read |
23 |
1 |
0 |
96% |
| gpaw/lrtddft/apmb.py |
ApmB.weight_Kijkq |
1 |
0 |
0 |
100% |
| gpaw/lrtddft/apmb.py |
ApmB.write |
19 |
1 |
0 |
95% |
| gpaw/lrtddft/apmb.py |
ApmB.__str__ |
7 |
7 |
0 |
0% |
| gpaw/lrtddft/apmb.py |
sqrt_matrix |
15 |
1 |
0 |
93% |
| gpaw/lrtddft/apmb.py |
(no function) |
26 |
0 |
0 |
100% |
| gpaw/lrtddft/convergence.py |
check_convergence |
88 |
88 |
0 |
0% |
| gpaw/lrtddft/convergence.py |
check_convergence.fname |
1 |
1 |
0 |
0% |
| gpaw/lrtddft/convergence.py |
(no function) |
4 |
0 |
0 |
100% |
| gpaw/lrtddft/dielectric.py |
get_dielectric |
16 |
1 |
0 |
94% |
| gpaw/lrtddft/dielectric.py |
dielectric |
16 |
2 |
0 |
88% |
| gpaw/lrtddft/dielectric.py |
(no function) |
6 |
0 |
0 |
100% |
| gpaw/lrtddft/excitation.py |
get_filehandle |
8 |
2 |
0 |
75% |
| gpaw/lrtddft/excitation.py |
ExcitationLogger.header |
1 |
0 |
0 |
100% |
| gpaw/lrtddft/excitation.py |
ExcitationList.__init__ |
6 |
0 |
0 |
100% |
| gpaw/lrtddft/excitation.py |
ExcitationList.calc |
1 |
1 |
0 |
0% |
| gpaw/lrtddft/excitation.py |
ExcitationList.get_energies |
4 |
0 |
0 |
100% |
| gpaw/lrtddft/excitation.py |
ExcitationList.get_trk |
5 |
0 |
0 |
100% |
| gpaw/lrtddft/excitation.py |
ExcitationList.get_polarizabilities |
7 |
0 |
0 |
100% |
| gpaw/lrtddft/excitation.py |
ExcitationList.__truediv__ |
1 |
1 |
0 |
0% |
| gpaw/lrtddft/excitation.py |
ExcitationList.__rmul__ |
1 |
1 |
0 |
0% |
| gpaw/lrtddft/excitation.py |
ExcitationList.__mul__ |
7 |
7 |
0 |
0% |
| gpaw/lrtddft/excitation.py |
ExcitationList.__sub__ |
6 |
6 |
0 |
0% |
| gpaw/lrtddft/excitation.py |
ExcitationList.__str__ |
7 |
0 |
0 |
100% |
| gpaw/lrtddft/excitation.py |
Excitation.get_energy |
1 |
0 |
0 |
100% |
| gpaw/lrtddft/excitation.py |
Excitation.get_dipole_me |
5 |
1 |
0 |
80% |
| gpaw/lrtddft/excitation.py |
Excitation.get_dipole_tensor |
6 |
1 |
0 |
83% |
| gpaw/lrtddft/excitation.py |
Excitation.get_oscillator_strength |
2 |
0 |
0 |
100% |
| gpaw/lrtddft/excitation.py |
Excitation.get_rotatory_strength |
13 |
7 |
0 |
46% |
| gpaw/lrtddft/excitation.py |
Excitation.set_energy |
1 |
1 |
0 |
0% |
| gpaw/lrtddft/excitation.py |
(no function) |
28 |
0 |
0 |
100% |
| gpaw/lrtddft/excited_state.py |
ExcitedState.__init__ |
27 |
0 |
0 |
100% |
| gpaw/lrtddft/excited_state.py |
ExcitedState.name |
1 |
0 |
0 |
100% |
| gpaw/lrtddft/excited_state.py |
ExcitedState.__del__ |
1 |
0 |
0 |
100% |
| gpaw/lrtddft/excited_state.py |
ExcitedState.set |
1 |
0 |
0 |
100% |
| gpaw/lrtddft/excited_state.py |
ExcitedState.set_positions |
2 |
0 |
0 |
100% |
| gpaw/lrtddft/excited_state.py |
ExcitedState.write |
13 |
0 |
0 |
100% |
| gpaw/lrtddft/excited_state.py |
ExcitedState.read |
28 |
11 |
0 |
61% |
| gpaw/lrtddft/excited_state.py |
ExcitedState.calculation_required |
14 |
2 |
0 |
86% |
| gpaw/lrtddft/excited_state.py |
ExcitedState.check_state |
2 |
0 |
0 |
100% |
| gpaw/lrtddft/excited_state.py |
ExcitedState.calculate |
16 |
1 |
0 |
94% |
| gpaw/lrtddft/excited_state.py |
ExcitedState.split |
17 |
14 |
0 |
18% |
| gpaw/lrtddft/excited_state.py |
ExcitedState.get_forces |
15 |
0 |
0 |
100% |
| gpaw/lrtddft/excited_state.py |
ExcitedState.forces_indexn |
5 |
5 |
0 |
0% |
| gpaw/lrtddft/excited_state.py |
ExcitedState.forces_indexn.reforce |
2 |
2 |
0 |
0% |
| gpaw/lrtddft/excited_state.py |
ExcitedState.get_stress |
1 |
1 |
0 |
0% |
| gpaw/lrtddft/excited_state.py |
ExcitedState.initialize_density |
8 |
0 |
0 |
100% |
| gpaw/lrtddft/excited_state.py |
ExcitedState.get_pseudo_density |
3 |
0 |
0 |
100% |
| gpaw/lrtddft/excited_state.py |
ExcitedState.get_all_electron_density |
3 |
0 |
0 |
100% |
| gpaw/lrtddft/excited_state.py |
UnconstraintIndex.__init__ |
1 |
0 |
0 |
100% |
| gpaw/lrtddft/excited_state.py |
UnconstraintIndex.apply |
1 |
0 |
0 |
100% |
| gpaw/lrtddft/excited_state.py |
UnconstraintIndex.__str__ |
1 |
0 |
0 |
100% |
| gpaw/lrtddft/excited_state.py |
UnconstraintIndex.todict |
1 |
0 |
0 |
100% |
| gpaw/lrtddft/excited_state.py |
MinimalOSIndex.__init__ |
2 |
2 |
0 |
0% |
| gpaw/lrtddft/excited_state.py |
MinimalOSIndex.apply |
15 |
15 |
0 |
0% |
| gpaw/lrtddft/excited_state.py |
MaximalOSIndex.__init__ |
6 |
6 |
0 |
0% |
| gpaw/lrtddft/excited_state.py |
MaximalOSIndex.apply |
15 |
15 |
0 |
0% |
| gpaw/lrtddft/excited_state.py |
ExcitedStateDensity.__init__ |
8 |
0 |
0 |
100% |
| gpaw/lrtddft/excited_state.py |
ExcitedStateDensity.initialize |
26 |
3 |
0 |
88% |
| gpaw/lrtddft/excited_state.py |
ExcitedStateDensity.update |
21 |
3 |
0 |
86% |
| gpaw/lrtddft/excited_state.py |
ExcitedStateDensity.calculate_pseudo_density |
10 |
0 |
0 |
100% |
| gpaw/lrtddft/excited_state.py |
(no function) |
54 |
0 |
0 |
100% |
| gpaw/lrtddft/finite_differences.py |
FiniteDifference.__init__ |
24 |
4 |
0 |
83% |
| gpaw/lrtddft/finite_differences.py |
FiniteDifference.calculate |
18 |
6 |
0 |
67% |
| gpaw/lrtddft/finite_differences.py |
FiniteDifference.run |
8 |
0 |
0 |
100% |
| gpaw/lrtddft/finite_differences.py |
FiniteDifference.displacements |
4 |
0 |
0 |
100% |
| gpaw/lrtddft/finite_differences.py |
FiniteDifference.restart |
7 |
7 |
0 |
0% |
| gpaw/lrtddft/finite_differences.py |
(no function) |
10 |
0 |
0 |
100% |
| gpaw/lrtddft/kssingle.py |
KSSingles.__init__ |
4 |
0 |
0 |
100% |
| gpaw/lrtddft/kssingle.py |
KSSingles.calculate |
13 |
0 |
0 |
100% |
| gpaw/lrtddft/kssingle.py |
KSSingles.emin_emax |
10 |
10 |
0 |
0% |
| gpaw/lrtddft/kssingle.py |
KSSingles.select |
63 |
2 |
0 |
97% |
| gpaw/lrtddft/kssingle.py |
KSSingles.read |
39 |
3 |
0 |
92% |
| gpaw/lrtddft/kssingle.py |
KSSingles.read.fail |
1 |
1 |
0 |
0% |
| gpaw/lrtddft/kssingle.py |
KSSingles.update |
16 |
1 |
0 |
94% |
| gpaw/lrtddft/kssingle.py |
KSSingles.set_arrays |
27 |
2 |
0 |
93% |
| gpaw/lrtddft/kssingle.py |
KSSingles.write |
12 |
1 |
0 |
92% |
| gpaw/lrtddft/kssingle.py |
KSSingles.overlap |
8 |
0 |
0 |
100% |
| gpaw/lrtddft/kssingle.py |
KSSingle.__init__ |
87 |
1 |
0 |
99% |
| gpaw/lrtddft/kssingle.py |
KSSingle.distribute |
10 |
0 |
0 |
100% |
| gpaw/lrtddft/kssingle.py |
KSSingle.__add__ |
6 |
0 |
0 |
100% |
| gpaw/lrtddft/kssingle.py |
KSSingle.__sub__ |
6 |
0 |
0 |
100% |
| gpaw/lrtddft/kssingle.py |
KSSingle.__rmul__ |
1 |
0 |
0 |
100% |
| gpaw/lrtddft/kssingle.py |
KSSingle.__mul__ |
7 |
0 |
0 |
100% |
| gpaw/lrtddft/kssingle.py |
KSSingle.__truediv__ |
1 |
0 |
0 |
100% |
| gpaw/lrtddft/kssingle.py |
KSSingle.fromstring |
20 |
0 |
0 |
100% |
| gpaw/lrtddft/kssingle.py |
KSSingle.outstring |
12 |
0 |
0 |
100% |
| gpaw/lrtddft/kssingle.py |
KSSingle.outstring.format_me |
7 |
0 |
0 |
100% |
| gpaw/lrtddft/kssingle.py |
KSSingle.__str__ |
12 |
0 |
0 |
100% |
| gpaw/lrtddft/kssingle.py |
KSSingle.__eq__ |
1 |
0 |
0 |
100% |
| gpaw/lrtddft/kssingle.py |
KSSingle.__hash__ |
3 |
0 |
0 |
100% |
| gpaw/lrtddft/kssingle.py |
KSSingle.get_weight |
1 |
0 |
0 |
100% |
| gpaw/lrtddft/kssingle.py |
_get_and_distribute_wf |
9 |
1 |
0 |
89% |
| gpaw/lrtddft/kssingle.py |
(no function) |
40 |
0 |
0 |
100% |
| gpaw/lrtddft/kssrestrictor.py |
KSSRestrictor.__init__ |
4 |
0 |
0 |
100% |
| gpaw/lrtddft/kssrestrictor.py |
KSSRestrictor.__getitem__ |
2 |
0 |
0 |
100% |
| gpaw/lrtddft/kssrestrictor.py |
KSSRestrictor.__setitem__ |
2 |
0 |
0 |
100% |
| gpaw/lrtddft/kssrestrictor.py |
KSSRestrictor.update |
2 |
0 |
0 |
100% |
| gpaw/lrtddft/kssrestrictor.py |
KSSRestrictor.emin_emax |
10 |
2 |
0 |
80% |
| gpaw/lrtddft/kssrestrictor.py |
KSSRestrictor.values |
3 |
0 |
0 |
100% |
| gpaw/lrtddft/kssrestrictor.py |
KSSRestrictor.__str__ |
1 |
0 |
0 |
100% |
| gpaw/lrtddft/kssrestrictor.py |
KSSRestrictor.is_good |
9 |
0 |
0 |
100% |
| gpaw/lrtddft/kssrestrictor.py |
(no function) |
13 |
0 |
0 |
100% |
| gpaw/lrtddft/omega_matrix.py |
OmegaMatrix.__init__ |
46 |
1 |
0 |
98% |
| gpaw/lrtddft/omega_matrix.py |
OmegaMatrix.get_full |
12 |
0 |
0 |
100% |
| gpaw/lrtddft/omega_matrix.py |
OmegaMatrix.get_xc |
143 |
46 |
0 |
68% |
| gpaw/lrtddft/omega_matrix.py |
OmegaMatrix.Coulomb_integral_kss |
28 |
0 |
0 |
100% |
| gpaw/lrtddft/omega_matrix.py |
OmegaMatrix.get_rpa |
43 |
0 |
0 |
100% |
| gpaw/lrtddft/omega_matrix.py |
OmegaMatrix.singlets_triplets |
24 |
0 |
0 |
100% |
| gpaw/lrtddft/omega_matrix.py |
OmegaMatrix.timestring |
16 |
6 |
0 |
62% |
| gpaw/lrtddft/omega_matrix.py |
OmegaMatrix.time_left |
3 |
0 |
0 |
100% |
| gpaw/lrtddft/omega_matrix.py |
OmegaMatrix.get_map |
14 |
0 |
0 |
100% |
| gpaw/lrtddft/omega_matrix.py |
OmegaMatrix.diagonalize |
12 |
1 |
0 |
92% |
| gpaw/lrtddft/omega_matrix.py |
OmegaMatrix.kss |
3 |
0 |
0 |
100% |
| gpaw/lrtddft/omega_matrix.py |
OmegaMatrix.kss |
1 |
0 |
0 |
100% |
| gpaw/lrtddft/omega_matrix.py |
OmegaMatrix.read |
13 |
2 |
0 |
85% |
| gpaw/lrtddft/omega_matrix.py |
OmegaMatrix.write |
17 |
4 |
0 |
76% |
| gpaw/lrtddft/omega_matrix.py |
OmegaMatrix.weight_Kijkq |
2 |
0 |
0 |
100% |
| gpaw/lrtddft/omega_matrix.py |
OmegaMatrix.__str__ |
7 |
7 |
0 |
0% |
| gpaw/lrtddft/omega_matrix.py |
(no function) |
30 |
0 |
0 |
100% |
| gpaw/lrtddft/spectrum.py |
get_folded_spectrum |
12 |
3 |
0 |
75% |
| gpaw/lrtddft/spectrum.py |
spectrum |
17 |
3 |
0 |
82% |
| gpaw/lrtddft/spectrum.py |
get_adsorbance_pre_factor |
1 |
1 |
0 |
0% |
| gpaw/lrtddft/spectrum.py |
rotatory_spectrum |
25 |
25 |
0 |
0% |
| gpaw/lrtddft/spectrum.py |
Writer.__init__ |
3 |
0 |
0 |
100% |
| gpaw/lrtddft/spectrum.py |
Writer.write |
17 |
1 |
0 |
94% |
| gpaw/lrtddft/spectrum.py |
polarizability |
8 |
8 |
0 |
0% |
| gpaw/lrtddft/spectrum.py |
(no function) |
13 |
0 |
0 |
100% |
| gpaw/lrtddft2/__init__.py |
LrTDDFT2.__init__ |
59 |
2 |
0 |
97% |
| gpaw/lrtddft2/__init__.py |
LrTDDFT2.get_transitions |
5 |
0 |
0 |
100% |
| gpaw/lrtddft2/__init__.py |
LrTDDFT2.get_spectrum |
5 |
0 |
0 |
100% |
| gpaw/lrtddft2/__init__.py |
LrTDDFT2.get_transition_contributions |
2 |
2 |
0 |
0% |
| gpaw/lrtddft2/__init__.py |
LrTDDFT2.calculate_response |
14 |
14 |
0 |
0% |
| gpaw/lrtddft2/__init__.py |
LrTDDFT2.calculate |
51 |
17 |
0 |
67% |
| gpaw/lrtddft2/__init__.py |
LrTDDFT2.read |
7 |
7 |
0 |
0% |
| gpaw/lrtddft2/__init__.py |
LrTDDFT2.write_info |
11 |
11 |
0 |
0% |
| gpaw/lrtddft2/__init__.py |
LrTDDFT2.__del__ |
5 |
0 |
0 |
100% |
| gpaw/lrtddft2/__init__.py |
(no function) |
22 |
0 |
0 |
100% |
| gpaw/lrtddft2/eta.py |
QuadraticETA.__init__ |
2 |
0 |
0 |
100% |
| gpaw/lrtddft2/eta.py |
QuadraticETA.update |
1 |
0 |
0 |
100% |
| gpaw/lrtddft2/eta.py |
QuadraticETA.eta |
22 |
0 |
0 |
100% |
| gpaw/lrtddft2/eta.py |
(no function) |
18 |
12 |
0 |
33% |
| gpaw/lrtddft2/k_matrix.py |
Kmatrix.__init__ |
13 |
0 |
0 |
100% |
| gpaw/lrtddft2/k_matrix.py |
Kmatrix.initialize |
1 |
1 |
0 |
0% |
| gpaw/lrtddft2/k_matrix.py |
Kmatrix.read_indices |
12 |
0 |
0 |
100% |
| gpaw/lrtddft2/k_matrix.py |
Kmatrix.read_values |
79 |
9 |
0 |
89% |
| gpaw/lrtddft2/k_matrix.py |
Kmatrix.calculate |
82 |
3 |
0 |
96% |
| gpaw/lrtddft2/k_matrix.py |
Kmatrix.calculate_smooth_xc_pair_potential |
14 |
0 |
0 |
100% |
| gpaw/lrtddft2/k_matrix.py |
Kmatrix.calculate_paw_xc_pair_potentials |
17 |
0 |
0 |
100% |
| gpaw/lrtddft2/k_matrix.py |
Kmatrix.calculate_paw_fHXC_corrections |
16 |
0 |
0 |
100% |
| gpaw/lrtddft2/k_matrix.py |
(no function) |
16 |
0 |
0 |
100% |
| gpaw/lrtddft2/ks_singles.py |
KohnShamSingleExcitation.__init__ |
10 |
0 |
0 |
100% |
| gpaw/lrtddft2/ks_singles.py |
KohnShamSingleExcitation.calculate_pair_density |
4 |
0 |
0 |
100% |
| gpaw/lrtddft2/ks_singles.py |
KohnShamSingleExcitation.__str__ |
8 |
8 |
0 |
0% |
| gpaw/lrtddft2/ks_singles.py |
KohnShamSingles.__init__ |
15 |
0 |
0 |
100% |
| gpaw/lrtddft2/ks_singles.py |
KohnShamSingles.update_list |
40 |
0 |
0 |
100% |
| gpaw/lrtddft2/ks_singles.py |
KohnShamSingles.read |
22 |
1 |
0 |
95% |
| gpaw/lrtddft2/ks_singles.py |
KohnShamSingles.calculate |
71 |
3 |
0 |
96% |
| gpaw/lrtddft2/ks_singles.py |
LRiPairDensity.__init__ |
1 |
0 |
0 |
100% |
| gpaw/lrtddft2/ks_singles.py |
LRiPairDensity.initialize |
6 |
0 |
0 |
100% |
| gpaw/lrtddft2/ks_singles.py |
LRiPairDensity.get |
12 |
0 |
0 |
100% |
| gpaw/lrtddft2/ks_singles.py |
(no function) |
22 |
0 |
0 |
100% |
| gpaw/lrtddft2/lr_communicators.py |
LrCommunicators.__init__ |
24 |
3 |
0 |
88% |
| gpaw/lrtddft2/lr_communicators.py |
LrCommunicators.initialize |
14 |
6 |
0 |
57% |
| gpaw/lrtddft2/lr_communicators.py |
LrCommunicators.get_local_eh_index |
3 |
1 |
0 |
67% |
| gpaw/lrtddft2/lr_communicators.py |
LrCommunicators.get_local_dd_index |
3 |
1 |
0 |
67% |
| gpaw/lrtddft2/lr_communicators.py |
LrCommunicators.get_global_eh_index |
1 |
1 |
0 |
0% |
| gpaw/lrtddft2/lr_communicators.py |
LrCommunicators.get_global_dd_index |
1 |
0 |
0 |
100% |
| gpaw/lrtddft2/lr_communicators.py |
LrCommunicators.get_matrix_elem_proc_and_index |
6 |
0 |
0 |
100% |
| gpaw/lrtddft2/lr_communicators.py |
(no function) |
9 |
0 |
0 |
100% |
| gpaw/lrtddft2/lr_layouts.py |
LrDiagonalizeLayout.__init__ |
13 |
13 |
0 |
0% |
| gpaw/lrtddft2/lr_layouts.py |
LrDiagonalizeLayout.diagonalize |
8 |
8 |
0 |
0% |
| gpaw/lrtddft2/lr_layouts.py |
LrTDDFPTSolveLayout.__init__ |
22 |
22 |
0 |
0% |
| gpaw/lrtddft2/lr_layouts.py |
LrTDDFPTSolveLayout.solve |
15 |
15 |
0 |
0% |
| gpaw/lrtddft2/lr_layouts.py |
LrTDDFTLayouts.__init__ |
29 |
29 |
0 |
0% |
| gpaw/lrtddft2/lr_layouts.py |
LrTDDFTLayouts.solve |
20 |
20 |
0 |
0% |
| gpaw/lrtddft2/lr_layouts.py |
LrTDDFTLayouts.diagonalize |
11 |
11 |
0 |
0% |
| gpaw/lrtddft2/lr_layouts.py |
(no function) |
13 |
0 |
0 |
100% |
| gpaw/lrtddft2/lr_response.py |
LrResponse.__init__ |
8 |
8 |
0 |
0% |
| gpaw/lrtddft2/lr_response.py |
LrResponse.read |
1 |
1 |
0 |
0% |
| gpaw/lrtddft2/lr_response.py |
LrResponse.solve |
3 |
3 |
0 |
0% |
| gpaw/lrtddft2/lr_response.py |
LrResponse.get_response_coefficients |
9 |
9 |
0 |
0% |
| gpaw/lrtddft2/lr_response.py |
LrResponse.get_response_data |
49 |
49 |
0 |
0% |
| gpaw/lrtddft2/lr_response.py |
LrResponse.get_transition_contribution_maps |
23 |
23 |
0 |
0% |
| gpaw/lrtddft2/lr_response.py |
LrResponse.get_induced_density |
26 |
26 |
0 |
0% |
| gpaw/lrtddft2/lr_response.py |
LrResponse.get_approximate_electron_and_hole_densities |
70 |
70 |
0 |
0% |
| gpaw/lrtddft2/lr_response.py |
LrResponse.solve_serial |
50 |
50 |
0 |
0% |
| gpaw/lrtddft2/lr_response.py |
LrResponse.solve_parallel |
71 |
71 |
0 |
0% |
| gpaw/lrtddft2/lr_response.py |
(no function) |
15 |
0 |
0 |
100% |
| gpaw/lrtddft2/lr_transitions.py |
LrtddftTransitions.__init__ |
8 |
0 |
0 |
100% |
| gpaw/lrtddft2/lr_transitions.py |
LrtddftTransitions.initialize |
1 |
1 |
0 |
0% |
| gpaw/lrtddft2/lr_transitions.py |
LrtddftTransitions.read |
1 |
1 |
0 |
0% |
| gpaw/lrtddft2/lr_transitions.py |
LrtddftTransitions.calculate |
2 |
0 |
0 |
100% |
| gpaw/lrtddft2/lr_transitions.py |
LrtddftTransitions.diagonalize |
3 |
1 |
0 |
67% |
| gpaw/lrtddft2/lr_transitions.py |
LrtddftTransitions.diagonalize_serial |
23 |
2 |
0 |
91% |
| gpaw/lrtddft2/lr_transitions.py |
LrtddftTransitions.diagonalize_scalapack |
22 |
22 |
0 |
0% |
| gpaw/lrtddft2/lr_transitions.py |
LrtddftTransitions.calculate_properties |
56 |
9 |
0 |
84% |
| gpaw/lrtddft2/lr_transitions.py |
LrtddftTransitions.get_excitation_energy |
7 |
2 |
0 |
71% |
| gpaw/lrtddft2/lr_transitions.py |
LrtddftTransitions.get_oscillator_strength |
11 |
1 |
0 |
91% |
| gpaw/lrtddft2/lr_transitions.py |
LrtddftTransitions.get_rotatory_strength |
13 |
2 |
0 |
85% |
| gpaw/lrtddft2/lr_transitions.py |
LrtddftTransitions.get_transitions |
32 |
6 |
0 |
81% |
| gpaw/lrtddft2/lr_transitions.py |
LrtddftTransitions.get_spectrum |
32 |
4 |
0 |
88% |
| gpaw/lrtddft2/lr_transitions.py |
LrtddftTransitions.get_transition_contributions |
16 |
16 |
0 |
0% |
| gpaw/lrtddft2/lr_transitions.py |
(no function) |
20 |
0 |
0 |
100% |
| gpaw/lrtddft2/tools.py |
write_parallel_cube |
17 |
17 |
0 |
0% |
| gpaw/lrtddft2/tools.py |
cubify |
45 |
45 |
0 |
0% |
| gpaw/lrtddft2/tools.py |
isocubes |
88 |
88 |
0 |
0% |
| gpaw/lrtddft2/tools.py |
(no function) |
7 |
0 |
0 |
100% |
| gpaw/matrix.py |
matrix_matrix_multiply |
1 |
0 |
0 |
100% |
| gpaw/matrix.py |
suggest_blocking |
13 |
4 |
0 |
69% |
| gpaw/matrix.py |
Matrix.__init__ |
15 |
1 |
0 |
93% |
| gpaw/matrix.py |
Matrix.__len__ |
1 |
0 |
0 |
100% |
| gpaw/matrix.py |
Matrix.__repr__ |
2 |
2 |
0 |
0% |
| gpaw/matrix.py |
Matrix.new |
1 |
0 |
0 |
100% |
| gpaw/matrix.py |
Matrix.__setitem__ |
3 |
3 |
0 |
0% |
| gpaw/matrix.py |
Matrix.__iadd__ |
2 |
2 |
0 |
0% |
| gpaw/matrix.py |
Matrix.multiply |
19 |
14 |
0 |
26% |
| gpaw/matrix.py |
Matrix.redist |
47 |
38 |
0 |
19% |
| gpaw/matrix.py |
Matrix.invcholesky |
17 |
6 |
0 |
65% |
| gpaw/matrix.py |
Matrix.eigh |
35 |
11 |
0 |
69% |
| gpaw/matrix.py |
Matrix.complex_conjugate |
2 |
0 |
0 |
100% |
| gpaw/matrix.py |
_matrix |
3 |
0 |
0 |
100% |
| gpaw/matrix.py |
NoDistribution.__init__ |
1 |
0 |
0 |
100% |
| gpaw/matrix.py |
NoDistribution.__str__ |
1 |
1 |
0 |
0% |
| gpaw/matrix.py |
NoDistribution.global_index |
1 |
1 |
0 |
0% |
| gpaw/matrix.py |
NoDistribution.multiply |
9 |
0 |
0 |
100% |
| gpaw/matrix.py |
BLACSDistribution.__init__ |
33 |
33 |
0 |
0% |
| gpaw/matrix.py |
BLACSDistribution.__str__ |
1 |
1 |
0 |
0% |
| gpaw/matrix.py |
BLACSDistribution.global_index |
1 |
1 |
0 |
0% |
| gpaw/matrix.py |
BLACSDistribution.multiply |
14 |
14 |
0 |
0% |
| gpaw/matrix.py |
redist |
1 |
1 |
0 |
0% |
| gpaw/matrix.py |
create_distribution |
4 |
1 |
0 |
75% |
| gpaw/matrix.py |
fastmmm |
31 |
31 |
0 |
0% |
| gpaw/matrix.py |
fastmmm2 |
61 |
61 |
0 |
0% |
| gpaw/matrix.py |
fastmmm2notsym |
35 |
35 |
0 |
0% |
| gpaw/matrix.py |
(no function) |
43 |
0 |
0 |
100% |
| gpaw/matrix_descriptor.py |
MatrixDescriptor.__init__ |
1 |
0 |
0 |
100% |
| gpaw/matrix_descriptor.py |
MatrixDescriptor.__bool__ |
1 |
0 |
0 |
100% |
| gpaw/matrix_descriptor.py |
MatrixDescriptor.zeros |
1 |
0 |
0 |
100% |
| gpaw/matrix_descriptor.py |
MatrixDescriptor.empty |
1 |
0 |
0 |
100% |
| gpaw/matrix_descriptor.py |
MatrixDescriptor._new_array |
4 |
0 |
0 |
100% |
| gpaw/matrix_descriptor.py |
MatrixDescriptor.check |
1 |
0 |
0 |
100% |
| gpaw/matrix_descriptor.py |
MatrixDescriptor.checkassert |
6 |
4 |
0 |
33% |
| gpaw/matrix_descriptor.py |
MatrixDescriptor.general_diagonalize_dc |
8 |
0 |
0 |
100% |
| gpaw/matrix_descriptor.py |
MatrixDescriptor.my_blocks |
1 |
0 |
0 |
100% |
| gpaw/matrix_descriptor.py |
MatrixDescriptor.estimate_memory |
1 |
1 |
0 |
0% |
| gpaw/matrix_descriptor.py |
BandMatrixDescriptor.__init__ |
4 |
4 |
0 |
0% |
| gpaw/matrix_descriptor.py |
BandMatrixDescriptor.assemble_blocks |
13 |
13 |
0 |
0% |
| gpaw/matrix_descriptor.py |
BandMatrixDescriptor.triangular_blockwise_assign |
32 |
32 |
0 |
0% |
| gpaw/matrix_descriptor.py |
BandMatrixDescriptor.full_blockwise_assign |
20 |
20 |
0 |
0% |
| gpaw/matrix_descriptor.py |
BandMatrixDescriptor.extract_block |
9 |
9 |
0 |
0% |
| gpaw/matrix_descriptor.py |
BandMatrixDescriptor.redistribute_input |
1 |
1 |
0 |
0% |
| gpaw/matrix_descriptor.py |
BandMatrixDescriptor.redistribute_output |
3 |
3 |
0 |
0% |
| gpaw/matrix_descriptor.py |
BandMatrixDescriptor.estimate_memory |
3 |
3 |
0 |
0% |
| gpaw/matrix_descriptor.py |
BlacsBandMatrixDescriptor.__init__ |
4 |
4 |
0 |
0% |
| gpaw/matrix_descriptor.py |
BlacsBandMatrixDescriptor.assemble_blocks |
4 |
4 |
0 |
0% |
| gpaw/matrix_descriptor.py |
BlacsBandMatrixDescriptor.triangular_columnwise_assign |
37 |
37 |
0 |
0% |
| gpaw/matrix_descriptor.py |
BlacsBandMatrixDescriptor.full_columnwise_assign |
18 |
18 |
0 |
0% |
| gpaw/matrix_descriptor.py |
BlacsBandMatrixDescriptor.extract_block_from_column |
29 |
29 |
0 |
0% |
| gpaw/matrix_descriptor.py |
BlacsBandMatrixDescriptor.extract_block_from_row |
11 |
11 |
0 |
0% |
| gpaw/matrix_descriptor.py |
BlacsBandMatrixDescriptor.redistribute_input |
8 |
8 |
0 |
0% |
| gpaw/matrix_descriptor.py |
BlacsBandMatrixDescriptor.redistribute_output |
6 |
6 |
0 |
0% |
| gpaw/matrix_descriptor.py |
BlacsBandMatrixDescriptor.estimate_memory |
5 |
5 |
0 |
0% |
| gpaw/matrix_descriptor.py |
(no function) |
34 |
0 |
0 |
100% |
| gpaw/mixer.py |
BaseMixer.__init__ |
4 |
0 |
0 |
100% |
| gpaw/mixer.py |
BaseMixer.initialize_metric |
9 |
0 |
0 |
100% |
| gpaw/mixer.py |
BaseMixer.reset |
5 |
0 |
0 |
100% |
| gpaw/mixer.py |
BaseMixer.calculate_charge_sloshing |
1 |
0 |
0 |
100% |
| gpaw/mixer.py |
BaseMixer.mix_density |
59 |
0 |
0 |
100% |
| gpaw/mixer.py |
BaseMixer.dotprod |
1 |
0 |
0 |
100% |
| gpaw/mixer.py |
BaseMixer.estimate_memory |
2 |
0 |
0 |
100% |
| gpaw/mixer.py |
BaseMixer.__repr__ |
4 |
4 |
0 |
0% |
| gpaw/mixer.py |
ExperimentalDotProd.__init__ |
1 |
1 |
0 |
0% |
| gpaw/mixer.py |
ExperimentalDotProd.__call__ |
8 |
8 |
0 |
0% |
| gpaw/mixer.py |
ReciprocalMetric.__init__ |
3 |
0 |
0 |
100% |
| gpaw/mixer.py |
ReciprocalMetric.__call__ |
1 |
0 |
0 |
100% |
| gpaw/mixer.py |
FFTBaseMixer.__init__ |
2 |
0 |
0 |
100% |
| gpaw/mixer.py |
FFTBaseMixer.initialize_metric |
8 |
2 |
0 |
75% |
| gpaw/mixer.py |
FFTBaseMixer.calculate_charge_sloshing |
5 |
1 |
0 |
80% |
| gpaw/mixer.py |
FFTBaseMixer.mix_density |
11 |
2 |
0 |
82% |
| gpaw/mixer.py |
BroydenBaseMixer.__init__ |
4 |
0 |
0 |
100% |
| gpaw/mixer.py |
BroydenBaseMixer.initialize_metric |
1 |
0 |
0 |
100% |
| gpaw/mixer.py |
BroydenBaseMixer.reset |
9 |
0 |
0 |
100% |
| gpaw/mixer.py |
BroydenBaseMixer.mix_density |
69 |
1 |
0 |
99% |
| gpaw/mixer.py |
DummyMixer.__init__ |
1 |
0 |
0 |
100% |
| gpaw/mixer.py |
DummyMixer.mix |
1 |
0 |
0 |
100% |
| gpaw/mixer.py |
DummyMixer.get_basemixers |
1 |
0 |
0 |
100% |
| gpaw/mixer.py |
DummyMixer.todict |
1 |
0 |
0 |
100% |
| gpaw/mixer.py |
NotMixingMixer.__init__ |
3 |
0 |
0 |
100% |
| gpaw/mixer.py |
NotMixingMixer.initialize_metric |
2 |
0 |
0 |
100% |
| gpaw/mixer.py |
NotMixingMixer.reset |
1 |
0 |
0 |
100% |
| gpaw/mixer.py |
NotMixingMixer.calculate_charge_sloshing |
1 |
0 |
0 |
100% |
| gpaw/mixer.py |
NotMixingMixer.mix_density |
6 |
0 |
0 |
100% |
| gpaw/mixer.py |
NotMixingMixer.dotprod |
1 |
1 |
0 |
0% |
| gpaw/mixer.py |
NotMixingMixer.estimate_memory |
2 |
0 |
0 |
100% |
| gpaw/mixer.py |
NotMixingMixer.__repr__ |
2 |
2 |
0 |
0% |
| gpaw/mixer.py |
SeparateSpinMixerDriver.__init__ |
4 |
0 |
0 |
100% |
| gpaw/mixer.py |
SeparateSpinMixerDriver.get_basemixers |
1 |
0 |
0 |
100% |
| gpaw/mixer.py |
SeparateSpinMixerDriver.mix |
7 |
0 |
0 |
100% |
| gpaw/mixer.py |
SpinSumMixerDriver.__init__ |
4 |
0 |
0 |
100% |
| gpaw/mixer.py |
SpinSumMixerDriver.get_basemixers |
3 |
1 |
0 |
67% |
| gpaw/mixer.py |
SpinSumMixerDriver.mix |
23 |
10 |
0 |
57% |
| gpaw/mixer.py |
SpinDifferenceMixerDriver.__init__ |
7 |
0 |
0 |
100% |
| gpaw/mixer.py |
SpinDifferenceMixerDriver.get_basemixers |
10 |
1 |
0 |
90% |
| gpaw/mixer.py |
SpinDifferenceMixerDriver.mix |
27 |
0 |
0 |
100% |
| gpaw/mixer.py |
FullSpinMixerDriver.__init__ |
5 |
0 |
0 |
100% |
| gpaw/mixer.py |
FullSpinMixerDriver.get_basemixers |
4 |
1 |
0 |
75% |
| gpaw/mixer.py |
FullSpinMixerDriver.mix |
6 |
0 |
0 |
100% |
| gpaw/mixer.py |
get_mixer_from_keywords |
26 |
0 |
0 |
100% |
| gpaw/mixer.py |
MixerWrapper.__init__ |
9 |
0 |
0 |
100% |
| gpaw/mixer.py |
MixerWrapper.mix |
16 |
0 |
0 |
100% |
| gpaw/mixer.py |
MixerWrapper.estimate_memory |
2 |
0 |
0 |
100% |
| gpaw/mixer.py |
MixerWrapper.reset |
2 |
0 |
0 |
100% |
| gpaw/mixer.py |
MixerWrapper.__str__ |
4 |
0 |
0 |
100% |
| gpaw/mixer.py |
_definemixerfunc |
2 |
0 |
0 |
100% |
| gpaw/mixer.py |
_definemixerfunc.getmixer |
3 |
0 |
0 |
100% |
| gpaw/mixer.py |
(no function) |
110 |
0 |
0 |
100% |
| gpaw/mom.py |
prepare_mom_calculation |
13 |
5 |
0 |
62% |
| gpaw/mom.py |
OccupationsMOM.__init__ |
14 |
0 |
0 |
100% |
| gpaw/mom.py |
OccupationsMOM.todict |
6 |
0 |
0 |
100% |
| gpaw/mom.py |
OccupationsMOM.__str__ |
6 |
0 |
0 |
100% |
| gpaw/mom.py |
OccupationsMOM.calculate |
8 |
2 |
0 |
75% |
| gpaw/mom.py |
OccupationsMOM.initialize_reference_orbitals |
34 |
3 |
0 |
91% |
| gpaw/mom.py |
OccupationsMOM.update_occupations |
48 |
0 |
0 |
100% |
| gpaw/mom.py |
OccupationsMOM.calculate_weights |
15 |
0 |
0 |
100% |
| gpaw/mom.py |
OccupationsMOM.find_hole_and_excited_orbitals |
8 |
0 |
0 |
100% |
| gpaw/mom.py |
OccupationsMOM.gaussian_smearing |
8 |
0 |
0 |
100% |
| gpaw/mom.py |
OccupationsMOM.find_unique_occupation_numbers |
8 |
0 |
0 |
100% |
| gpaw/mom.py |
(no function) |
16 |
0 |
0 |
100% |
| gpaw/mpi.py |
is_contiguous |
2 |
0 |
0 |
100% |
| gpaw/mpi.py |
broadcast_exception |
10 |
6 |
0 |
40% |
| gpaw/mpi.py |
_Communicator.__init__ |
4 |
0 |
0 |
100% |
| gpaw/mpi.py |
_Communicator.__repr__ |
1 |
0 |
0 |
100% |
| gpaw/mpi.py |
_Communicator.new_communicator |
4 |
1 |
0 |
75% |
| gpaw/mpi.py |
_Communicator.sum |
7 |
2 |
0 |
71% |
| gpaw/mpi.py |
_Communicator.sum_scalar |
2 |
0 |
0 |
100% |
| gpaw/mpi.py |
_Communicator.product |
8 |
8 |
0 |
0% |
| gpaw/mpi.py |
_Communicator.max |
8 |
2 |
0 |
75% |
| gpaw/mpi.py |
_Communicator.max_scalar |
2 |
0 |
0 |
100% |
| gpaw/mpi.py |
_Communicator.min |
8 |
8 |
0 |
0% |
| gpaw/mpi.py |
_Communicator.min_scalar |
2 |
0 |
0 |
100% |
| gpaw/mpi.py |
_Communicator.scatter |
7 |
7 |
0 |
0% |
| gpaw/mpi.py |
_Communicator.alltoallv |
15 |
0 |
0 |
100% |
| gpaw/mpi.py |
_Communicator.all_gather |
5 |
0 |
0 |
100% |
| gpaw/mpi.py |
_Communicator.gather |
8 |
2 |
0 |
75% |
| gpaw/mpi.py |
_Communicator.broadcast |
3 |
0 |
0 |
100% |
| gpaw/mpi.py |
_Communicator.sendreceive |
7 |
7 |
0 |
0% |
| gpaw/mpi.py |
_Communicator.send |
6 |
6 |
0 |
0% |
| gpaw/mpi.py |
_Communicator.ssend |
4 |
4 |
0 |
0% |
| gpaw/mpi.py |
_Communicator.receive |
4 |
4 |
0 |
0% |
| gpaw/mpi.py |
_Communicator.test |
1 |
1 |
0 |
0% |
| gpaw/mpi.py |
_Communicator.testall |
1 |
1 |
0 |
0% |
| gpaw/mpi.py |
_Communicator.wait |
1 |
1 |
0 |
0% |
| gpaw/mpi.py |
_Communicator.waitall |
1 |
0 |
0 |
100% |
| gpaw/mpi.py |
_Communicator.abort |
1 |
1 |
0 |
0% |
| gpaw/mpi.py |
_Communicator.name |
1 |
1 |
0 |
0% |
| gpaw/mpi.py |
_Communicator.barrier |
1 |
0 |
0 |
100% |
| gpaw/mpi.py |
_Communicator.compare |
5 |
3 |
0 |
40% |
| gpaw/mpi.py |
_Communicator.translate_ranks |
9 |
4 |
0 |
56% |
| gpaw/mpi.py |
_Communicator.get_members |
1 |
0 |
0 |
100% |
| gpaw/mpi.py |
_Communicator.get_c_object |
4 |
1 |
0 |
75% |
| gpaw/mpi.py |
SerialCommunicator.__init__ |
1 |
0 |
0 |
100% |
| gpaw/mpi.py |
SerialCommunicator.__repr__ |
1 |
1 |
0 |
0% |
| gpaw/mpi.py |
SerialCommunicator.sum |
3 |
2 |
0 |
33% |
| gpaw/mpi.py |
SerialCommunicator.sum_scalar |
1 |
0 |
0 |
100% |
| gpaw/mpi.py |
SerialCommunicator.scatter |
1 |
1 |
0 |
0% |
| gpaw/mpi.py |
SerialCommunicator.min |
3 |
3 |
0 |
0% |
| gpaw/mpi.py |
SerialCommunicator.min_scalar |
1 |
0 |
0 |
100% |
| gpaw/mpi.py |
SerialCommunicator.max |
3 |
2 |
0 |
33% |
| gpaw/mpi.py |
SerialCommunicator.max_scalar |
1 |
0 |
0 |
100% |
| gpaw/mpi.py |
SerialCommunicator.broadcast |
1 |
0 |
0 |
100% |
| gpaw/mpi.py |
SerialCommunicator.send |
1 |
1 |
0 |
0% |
| gpaw/mpi.py |
SerialCommunicator.barrier |
1 |
0 |
0 |
100% |
| gpaw/mpi.py |
SerialCommunicator.gather |
1 |
0 |
0 |
100% |
| gpaw/mpi.py |
SerialCommunicator.all_gather |
1 |
0 |
0 |
100% |
| gpaw/mpi.py |
SerialCommunicator.alltoallv |
6 |
0 |
0 |
100% |
| gpaw/mpi.py |
SerialCommunicator.new_communicator |
5 |
1 |
0 |
80% |
| gpaw/mpi.py |
SerialCommunicator.test |
1 |
1 |
0 |
0% |
| gpaw/mpi.py |
SerialCommunicator.testall |
1 |
1 |
0 |
0% |
| gpaw/mpi.py |
SerialCommunicator.wait |
1 |
1 |
0 |
0% |
| gpaw/mpi.py |
SerialCommunicator.waitall |
3 |
1 |
0 |
67% |
| gpaw/mpi.py |
SerialCommunicator.get_members |
1 |
0 |
0 |
100% |
| gpaw/mpi.py |
SerialCommunicator.compare |
5 |
1 |
0 |
80% |
| gpaw/mpi.py |
SerialCommunicator.translate_ranks |
4 |
1 |
0 |
75% |
| gpaw/mpi.py |
SerialCommunicator.get_c_object |
3 |
1 |
0 |
67% |
| gpaw/mpi.py |
verify_ase_world |
6 |
1 |
0 |
83% |
| gpaw/mpi.py |
broadcast |
9 |
3 |
0 |
67% |
| gpaw/mpi.py |
broadcast_float |
3 |
0 |
0 |
100% |
| gpaw/mpi.py |
synchronize_atoms |
19 |
6 |
0 |
68% |
| gpaw/mpi.py |
synchronize_atoms.same_cell |
1 |
0 |
0 |
100% |
| gpaw/mpi.py |
broadcast_string |
3 |
0 |
0 |
100% |
| gpaw/mpi.py |
broadcast_bytes |
11 |
3 |
0 |
73% |
| gpaw/mpi.py |
broadcast_array |
6 |
0 |
0 |
100% |
| gpaw/mpi.py |
send |
3 |
3 |
0 |
0% |
| gpaw/mpi.py |
receive |
5 |
5 |
0 |
0% |
| gpaw/mpi.py |
send_string |
3 |
3 |
0 |
0% |
| gpaw/mpi.py |
receive_string |
5 |
5 |
0 |
0% |
| gpaw/mpi.py |
alltoallv_string |
26 |
0 |
0 |
100% |
| gpaw/mpi.py |
ibarrier |
19 |
19 |
0 |
0% |
| gpaw/mpi.py |
run |
11 |
11 |
0 |
0% |
| gpaw/mpi.py |
Parallelization.__init__ |
8 |
0 |
0 |
100% |
| gpaw/mpi.py |
Parallelization.set |
19 |
2 |
0 |
89% |
| gpaw/mpi.py |
Parallelization.get_communicator_sizes |
3 |
3 |
0 |
0% |
| gpaw/mpi.py |
Parallelization.build_communicators |
23 |
0 |
0 |
100% |
| gpaw/mpi.py |
Parallelization.build_communicators.get_communicator_complement |
4 |
0 |
0 |
100% |
| gpaw/mpi.py |
Parallelization.autofinalize |
9 |
2 |
0 |
78% |
| gpaw/mpi.py |
Parallelization.get_optimal_kpt_parallelization |
8 |
0 |
0 |
100% |
| gpaw/mpi.py |
Parallelization.find_kpt_parallelizations |
14 |
0 |
0 |
100% |
| gpaw/mpi.py |
cleanup |
8 |
6 |
0 |
25% |
| gpaw/mpi.py |
print_mpi_stack_trace |
10 |
10 |
0 |
0% |
| gpaw/mpi.py |
exit |
8 |
8 |
0 |
0% |
| gpaw/mpi.py |
(no function) |
121 |
4 |
0 |
97% |
| gpaw/mpi4pywrapper.py |
MPI4PYWrapper.__init__ |
4 |
0 |
0 |
100% |
| gpaw/mpi4pywrapper.py |
MPI4PYWrapper.new_communicator |
4 |
4 |
0 |
0% |
| gpaw/mpi4pywrapper.py |
MPI4PYWrapper.max_scalar |
1 |
1 |
0 |
0% |
| gpaw/mpi4pywrapper.py |
MPI4PYWrapper.sum_scalar |
6 |
6 |
0 |
0% |
| gpaw/mpi4pywrapper.py |
MPI4PYWrapper.sum |
5 |
5 |
0 |
0% |
| gpaw/mpi4pywrapper.py |
MPI4PYWrapper.scatter |
1 |
1 |
0 |
0% |
| gpaw/mpi4pywrapper.py |
MPI4PYWrapper.alltoallv |
1 |
1 |
0 |
0% |
| gpaw/mpi4pywrapper.py |
MPI4PYWrapper.all_gather |
1 |
1 |
0 |
0% |
| gpaw/mpi4pywrapper.py |
MPI4PYWrapper.gather |
1 |
1 |
0 |
0% |
| gpaw/mpi4pywrapper.py |
MPI4PYWrapper.broadcast |
1 |
1 |
0 |
0% |
| gpaw/mpi4pywrapper.py |
MPI4PYWrapper.sendreceive |
1 |
1 |
0 |
0% |
| gpaw/mpi4pywrapper.py |
MPI4PYWrapper.send |
3 |
3 |
0 |
0% |
| gpaw/mpi4pywrapper.py |
MPI4PYWrapper.ssend |
1 |
1 |
0 |
0% |
| gpaw/mpi4pywrapper.py |
MPI4PYWrapper.receive |
3 |
3 |
0 |
0% |
| gpaw/mpi4pywrapper.py |
MPI4PYWrapper.test |
1 |
1 |
0 |
0% |
| gpaw/mpi4pywrapper.py |
MPI4PYWrapper.testall |
1 |
1 |
0 |
0% |
| gpaw/mpi4pywrapper.py |
MPI4PYWrapper.wait |
1 |
1 |
0 |
0% |
| gpaw/mpi4pywrapper.py |
MPI4PYWrapper.waitall |
1 |
1 |
0 |
0% |
| gpaw/mpi4pywrapper.py |
MPI4PYWrapper.name |
1 |
1 |
0 |
0% |
| gpaw/mpi4pywrapper.py |
MPI4PYWrapper.barrier |
1 |
1 |
0 |
0% |
| gpaw/mpi4pywrapper.py |
MPI4PYWrapper.get_c_object |
1 |
1 |
0 |
0% |
| gpaw/mpi4pywrapper.py |
(no function) |
26 |
2 |
0 |
92% |
| gpaw/new/__init__.py |
prod |
4 |
0 |
0 |
100% |
| gpaw/new/__init__.py |
zips |
24 |
8 |
0 |
67% |
| gpaw/new/__init__.py |
spinsum |
7 |
0 |
0 |
100% |
| gpaw/new/__init__.py |
Timer.__init__ |
2 |
0 |
0 |
100% |
| gpaw/new/__init__.py |
Timer.__call__ |
5 |
0 |
0 |
100% |
| gpaw/new/__init__.py |
Timer.write |
10 |
0 |
0 |
100% |
| gpaw/new/__init__.py |
(no function) |
16 |
1 |
0 |
94% |
| gpaw/new/ase_interface.py |
write_header |
15 |
0 |
0 |
100% |
| gpaw/new/ase_interface.py |
compare_atoms |
11 |
2 |
0 |
82% |
| gpaw/new/ase_interface.py |
ASECalculator.__init__ |
9 |
0 |
0 |
100% |
| gpaw/new/ase_interface.py |
ASECalculator.dft |
3 |
1 |
0 |
67% |
| gpaw/new/ase_interface.py |
ASECalculator.atoms |
3 |
1 |
0 |
67% |
| gpaw/new/ase_interface.py |
ASECalculator.__repr__ |
1 |
1 |
0 |
0% |
| gpaw/new/ase_interface.py |
ASECalculator.iconverge |
44 |
7 |
0 |
84% |
| gpaw/new/ase_interface.py |
ASECalculator.calculate_property |
11 |
1 |
0 |
91% |
| gpaw/new/ase_interface.py |
ASECalculator.get_property |
9 |
9 |
0 |
0% |
| gpaw/new/ase_interface.py |
ASECalculator.calculation_required |
3 |
3 |
0 |
0% |
| gpaw/new/ase_interface.py |
ASECalculator.results |
3 |
3 |
0 |
0% |
| gpaw/new/ase_interface.py |
ASECalculator.create_new_calculation |
3 |
0 |
0 |
100% |
| gpaw/new/ase_interface.py |
ASECalculator.create_new_calculation_from_old |
3 |
0 |
0 |
100% |
| gpaw/new/ase_interface.py |
ASECalculator.move_atoms |
3 |
0 |
0 |
100% |
| gpaw/new/ase_interface.py |
ASECalculator._calculate_forces |
3 |
0 |
0 |
100% |
| gpaw/new/ase_interface.py |
ASECalculator.__del__ |
8 |
2 |
0 |
75% |
| gpaw/new/ase_interface.py |
ASECalculator.get_potential_energy |
1 |
0 |
0 |
100% |
| gpaw/new/ase_interface.py |
ASECalculator.get_forces |
1 |
0 |
0 |
100% |
| gpaw/new/ase_interface.py |
ASECalculator.get_stress |
1 |
0 |
0 |
100% |
| gpaw/new/ase_interface.py |
ASECalculator.get_dipole_moment |
1 |
1 |
0 |
0% |
| gpaw/new/ase_interface.py |
ASECalculator.get_magnetic_moment |
1 |
1 |
0 |
0% |
| gpaw/new/ase_interface.py |
ASECalculator.get_magnetic_moments |
1 |
1 |
0 |
0% |
| gpaw/new/ase_interface.py |
ASECalculator.get_non_collinear_magnetic_moment |
1 |
1 |
0 |
0% |
| gpaw/new/ase_interface.py |
ASECalculator.get_non_collinear_magnetic_moments |
1 |
1 |
0 |
0% |
| gpaw/new/ase_interface.py |
ASECalculator.check_state |
1 |
1 |
0 |
0% |
| gpaw/new/ase_interface.py |
ASECalculator.eigenvalues |
2 |
2 |
0 |
0% |
| gpaw/new/ase_interface.py |
ASECalculator.occupations |
2 |
2 |
0 |
0% |
| gpaw/new/ase_interface.py |
ASECalculator.write |
3 |
0 |
0 |
100% |
| gpaw/new/ase_interface.py |
ASECalculator.environment |
1 |
1 |
0 |
0% |
| gpaw/new/ase_interface.py |
ASECalculator.icalculate |
1 |
1 |
0 |
0% |
| gpaw/new/ase_interface.py |
ASECalculator.new |
2 |
2 |
0 |
0% |
| gpaw/new/ase_interface.py |
ASECalculator.get_pseudo_wave_function |
4 |
1 |
0 |
75% |
| gpaw/new/ase_interface.py |
ASECalculator.get_atoms |
3 |
0 |
0 |
100% |
| gpaw/new/ase_interface.py |
ASECalculator.get_fermi_level |
1 |
0 |
0 |
100% |
| gpaw/new/ase_interface.py |
ASECalculator.get_fermi_levels |
5 |
5 |
0 |
0% |
| gpaw/new/ase_interface.py |
ASECalculator.get_homo_lumo |
1 |
0 |
0 |
100% |
| gpaw/new/ase_interface.py |
ASECalculator.get_number_of_electrons |
2 |
0 |
0 |
100% |
| gpaw/new/ase_interface.py |
ASECalculator.get_number_of_bands |
1 |
0 |
0 |
100% |
| gpaw/new/ase_interface.py |
ASECalculator.get_number_of_grid_points |
1 |
1 |
0 |
0% |
| gpaw/new/ase_interface.py |
ASECalculator.get_effective_potential |
4 |
4 |
0 |
0% |
| gpaw/new/ase_interface.py |
ASECalculator.get_electrostatic_potential |
7 |
7 |
0 |
0% |
| gpaw/new/ase_interface.py |
ASECalculator.get_atomic_electrostatic_potentials |
1 |
1 |
0 |
0% |
| gpaw/new/ase_interface.py |
ASECalculator.get_electrostatic_corrections |
1 |
1 |
0 |
0% |
| gpaw/new/ase_interface.py |
ASECalculator.get_pseudo_density |
4 |
4 |
0 |
0% |
| gpaw/new/ase_interface.py |
ASECalculator.get_all_electron_density |
6 |
6 |
0 |
0% |
| gpaw/new/ase_interface.py |
ASECalculator.get_eigenvalues |
6 |
1 |
0 |
83% |
| gpaw/new/ase_interface.py |
ASECalculator.get_occupation_numbers |
10 |
10 |
0 |
0% |
| gpaw/new/ase_interface.py |
ASECalculator.get_reference_energy |
1 |
1 |
0 |
0% |
| gpaw/new/ase_interface.py |
ASECalculator.get_number_of_iterations |
1 |
1 |
0 |
0% |
| gpaw/new/ase_interface.py |
ASECalculator.get_bz_k_points |
1 |
1 |
0 |
0% |
| gpaw/new/ase_interface.py |
ASECalculator.get_ibz_k_points |
1 |
0 |
0 |
100% |
| gpaw/new/ase_interface.py |
ASECalculator.get_k_point_weights |
1 |
1 |
0 |
0% |
| gpaw/new/ase_interface.py |
ASECalculator.get_orbital_magnetic_moments |
6 |
0 |
0 |
100% |
| gpaw/new/ase_interface.py |
ASECalculator.calculate |
4 |
4 |
0 |
0% |
| gpaw/new/ase_interface.py |
ASECalculator.wfs |
6 |
0 |
0 |
100% |
| gpaw/new/ase_interface.py |
ASECalculator.density |
2 |
0 |
0 |
100% |
| gpaw/new/ase_interface.py |
ASECalculator.hamiltonian |
2 |
0 |
0 |
100% |
| gpaw/new/ase_interface.py |
ASECalculator.spos_ac |
1 |
0 |
0 |
100% |
| gpaw/new/ase_interface.py |
ASECalculator.world |
1 |
0 |
0 |
100% |
| gpaw/new/ase_interface.py |
ASECalculator.setups |
1 |
0 |
0 |
100% |
| gpaw/new/ase_interface.py |
ASECalculator.initialized |
1 |
1 |
0 |
0% |
| gpaw/new/ase_interface.py |
ASECalculator.get_xc_functional |
1 |
1 |
0 |
0% |
| gpaw/new/ase_interface.py |
ASECalculator.get_xc_difference |
22 |
22 |
0 |
0% |
| gpaw/new/ase_interface.py |
ASECalculator.diagonalize_full_hamiltonian |
13 |
13 |
0 |
0% |
| gpaw/new/ase_interface.py |
ASECalculator.gs_adapter |
2 |
0 |
0 |
100% |
| gpaw/new/ase_interface.py |
ASECalculator.fixed_density |
20 |
0 |
0 |
100% |
| gpaw/new/ase_interface.py |
ASECalculator.initialize |
1 |
1 |
0 |
0% |
| gpaw/new/ase_interface.py |
ASECalculator.converge_wave_functions |
1 |
1 |
0 |
0% |
| gpaw/new/ase_interface.py |
ASECalculator.get_number_of_spins |
1 |
0 |
0 |
100% |
| gpaw/new/ase_interface.py |
ASECalculator.parameters |
1 |
1 |
0 |
0% |
| gpaw/new/ase_interface.py |
ASECalculator.dos |
1 |
1 |
0 |
0% |
| gpaw/new/ase_interface.py |
ASECalculator.band_structure |
2 |
0 |
0 |
100% |
| gpaw/new/ase_interface.py |
ASECalculator.symmetry |
1 |
0 |
0 |
100% |
| gpaw/new/ase_interface.py |
ASECalculator.get_wannier_localization_matrix |
5 |
5 |
0 |
0% |
| gpaw/new/ase_interface.py |
ASECalculator.initial_wannier |
2 |
2 |
0 |
0% |
| gpaw/new/ase_interface.py |
ASECalculator.initialize_positions |
1 |
1 |
0 |
0% |
| gpaw/new/ase_interface.py |
ASECalculator.set |
2 |
2 |
0 |
0% |
| gpaw/new/ase_interface.py |
ASECalculator.todict |
1 |
1 |
0 |
0% |
| gpaw/new/ase_interface.py |
ASECalculator.get_nonselfconsistent_energies |
12 |
12 |
0 |
0% |
| gpaw/new/ase_interface.py |
ASECalculator.get_bz_to_ibz_map |
1 |
1 |
0 |
0% |
| gpaw/new/ase_interface.py |
(no function) |
123 |
0 |
0 |
100% |
| gpaw/new/backwards_compatibility.py |
PT.__init__ |
1 |
0 |
0 |
100% |
| gpaw/new/backwards_compatibility.py |
PT.integrate |
3 |
3 |
0 |
0% |
| gpaw/new/backwards_compatibility.py |
PT.add |
1 |
1 |
0 |
0% |
| gpaw/new/backwards_compatibility.py |
PT.dict |
1 |
1 |
0 |
0% |
| gpaw/new/backwards_compatibility.py |
FakeWFS.__init__ |
59 |
1 |
0 |
98% |
| gpaw/new/backwards_compatibility.py |
FakeWFS.apply_pseudo_hamiltonian |
2 |
2 |
0 |
0% |
| gpaw/new/backwards_compatibility.py |
FakeWFS.calculate_occupation_numbers |
1 |
1 |
0 |
0% |
| gpaw/new/backwards_compatibility.py |
FakeWFS.empty |
1 |
1 |
0 |
0% |
| gpaw/new/backwards_compatibility.py |
FakeWFS.work_array |
1 |
1 |
0 |
0% |
| gpaw/new/backwards_compatibility.py |
FakeWFS.work_matrix_nn |
2 |
2 |
0 |
0% |
| gpaw/new/backwards_compatibility.py |
FakeWFS.orthonormalized |
1 |
1 |
0 |
0% |
| gpaw/new/backwards_compatibility.py |
FakeWFS.orthonormalize |
7 |
7 |
0 |
0% |
| gpaw/new/backwards_compatibility.py |
FakeWFS.make_preconditioner |
5 |
5 |
0 |
0% |
| gpaw/new/backwards_compatibility.py |
FakeWFS._get_wave_function_array |
7 |
1 |
0 |
86% |
| gpaw/new/backwards_compatibility.py |
FakeWFS.get_wave_function_array |
17 |
6 |
0 |
65% |
| gpaw/new/backwards_compatibility.py |
FakeWFS.collect_projections |
1 |
1 |
0 |
0% |
| gpaw/new/backwards_compatibility.py |
FakeWFS.collect_eigenvalues |
1 |
1 |
0 |
0% |
| gpaw/new/backwards_compatibility.py |
FakeWFS.kpt_u |
1 |
0 |
0 |
100% |
| gpaw/new/backwards_compatibility.py |
FakeWFS.kpt_qs |
1 |
0 |
0 |
100% |
| gpaw/new/backwards_compatibility.py |
FakeWFS.integrate |
4 |
4 |
0 |
0% |
| gpaw/new/backwards_compatibility.py |
KPT.__init__ |
27 |
3 |
0 |
89% |
| gpaw/new/backwards_compatibility.py |
KPT.P_ani |
1 |
0 |
0 |
100% |
| gpaw/new/backwards_compatibility.py |
KPT.eps_n |
1 |
0 |
0 |
100% |
| gpaw/new/backwards_compatibility.py |
KPT.f_n |
3 |
0 |
0 |
100% |
| gpaw/new/backwards_compatibility.py |
KPT.f_n |
1 |
1 |
0 |
0% |
| gpaw/new/backwards_compatibility.py |
KPT.psit_nG |
5 |
1 |
0 |
80% |
| gpaw/new/backwards_compatibility.py |
KPT.psit |
4 |
1 |
0 |
75% |
| gpaw/new/backwards_compatibility.py |
FakeDensity.__init__ |
15 |
2 |
0 |
87% |
| gpaw/new/backwards_compatibility.py |
FakeDensity.D_asp |
3 |
0 |
0 |
100% |
| gpaw/new/backwards_compatibility.py |
FakeDensity.nt_sg |
1 |
0 |
0 |
100% |
| gpaw/new/backwards_compatibility.py |
FakeDensity.interpolate_pseudo_density |
1 |
1 |
0 |
0% |
| gpaw/new/backwards_compatibility.py |
FakeDensity.get_all_electron_density |
2 |
2 |
0 |
0% |
| gpaw/new/backwards_compatibility.py |
FakeHamiltonian.__init__ |
11 |
2 |
0 |
82% |
| gpaw/new/backwards_compatibility.py |
FakeHamiltonian.update |
11 |
11 |
0 |
0% |
| gpaw/new/backwards_compatibility.py |
FakeHamiltonian.get_energy |
12 |
12 |
0 |
0% |
| gpaw/new/backwards_compatibility.py |
FakeHamiltonian.restrict_and_collect |
7 |
0 |
0 |
100% |
| gpaw/new/backwards_compatibility.py |
FakeHamiltonian.xc |
1 |
0 |
0 |
100% |
| gpaw/new/backwards_compatibility.py |
FakeHamiltonian.dH |
3 |
3 |
0 |
0% |
| gpaw/new/backwards_compatibility.py |
(no function) |
73 |
0 |
0 |
100% |
| gpaw/new/basis.py |
create_basis |
19 |
0 |
0 |
100% |
| gpaw/new/basis.py |
SimpleBasis.__init__ |
3 |
0 |
0 |
100% |
| gpaw/new/basis.py |
SimpleBasis.add_to_density |
11 |
0 |
0 |
100% |
| gpaw/new/basis.py |
(no function) |
11 |
0 |
0 |
100% |
| gpaw/new/brillouin.py |
BZPoints.__init__ |
4 |
0 |
0 |
100% |
| gpaw/new/brillouin.py |
BZPoints.__len__ |
1 |
0 |
0 |
100% |
| gpaw/new/brillouin.py |
BZPoints.__repr__ |
3 |
3 |
0 |
0% |
| gpaw/new/brillouin.py |
BZPoints.reduce |
9 |
1 |
0 |
89% |
| gpaw/new/brillouin.py |
BZBandPath.__init__ |
2 |
2 |
0 |
0% |
| gpaw/new/brillouin.py |
MonkhorstPackKPoints.__init__ |
3 |
0 |
0 |
100% |
| gpaw/new/brillouin.py |
MonkhorstPackKPoints.__repr__ |
1 |
1 |
0 |
0% |
| gpaw/new/brillouin.py |
MonkhorstPackKPoints.__str__ |
3 |
0 |
0 |
100% |
| gpaw/new/brillouin.py |
IBZ.__init__ |
9 |
0 |
0 |
100% |
| gpaw/new/brillouin.py |
IBZ.__len__ |
1 |
0 |
0 |
100% |
| gpaw/new/brillouin.py |
IBZ.__repr__ |
1 |
1 |
0 |
0% |
| gpaw/new/brillouin.py |
IBZ.__str__ |
19 |
0 |
0 |
100% |
| gpaw/new/brillouin.py |
IBZ.ranks |
1 |
0 |
0 |
100% |
| gpaw/new/brillouin.py |
ranks |
8 |
0 |
0 |
100% |
| gpaw/new/brillouin.py |
(no function) |
27 |
1 |
0 |
96% |
| gpaw/new/builder.py |
DFTComponentsBuilder.__init__ |
55 |
4 |
0 |
93% |
| gpaw/new/builder.py |
DFTComponentsBuilder.__repr__ |
1 |
1 |
0 |
0% |
| gpaw/new/builder.py |
DFTComponentsBuilder.get_extensions |
1 |
0 |
0 |
100% |
| gpaw/new/builder.py |
DFTComponentsBuilder.charge |
1 |
0 |
0 |
100% |
| gpaw/new/builder.py |
DFTComponentsBuilder.nelectrons |
1 |
0 |
0 |
100% |
| gpaw/new/builder.py |
DFTComponentsBuilder.atomdist |
1 |
0 |
0 |
100% |
| gpaw/new/builder.py |
DFTComponentsBuilder.create_uniform_grids |
1 |
1 |
0 |
0% |
| gpaw/new/builder.py |
DFTComponentsBuilder.check_cell |
7 |
3 |
0 |
57% |
| gpaw/new/builder.py |
DFTComponentsBuilder.wf_desc |
1 |
0 |
0 |
100% |
| gpaw/new/builder.py |
DFTComponentsBuilder.gpu |
7 |
2 |
0 |
71% |
| gpaw/new/builder.py |
DFTComponentsBuilder.xp |
6 |
0 |
0 |
100% |
| gpaw/new/builder.py |
DFTComponentsBuilder.create_wf_description |
1 |
1 |
0 |
0% |
| gpaw/new/builder.py |
DFTComponentsBuilder.get_pseudo_core_densities |
1 |
1 |
0 |
0% |
| gpaw/new/builder.py |
DFTComponentsBuilder.get_pseudo_core_ked |
1 |
1 |
0 |
0% |
| gpaw/new/builder.py |
DFTComponentsBuilder.create_basis_set |
1 |
0 |
0 |
100% |
| gpaw/new/builder.py |
DFTComponentsBuilder.density_from_superposition |
1 |
0 |
0 |
100% |
| gpaw/new/builder.py |
DFTComponentsBuilder.create_occupation_number_calculator |
1 |
0 |
0 |
100% |
| gpaw/new/builder.py |
DFTComponentsBuilder.create_ibz_wave_functions |
1 |
1 |
0 |
0% |
| gpaw/new/builder.py |
DFTComponentsBuilder.create_hamiltonian_operator |
1 |
1 |
0 |
0% |
| gpaw/new/builder.py |
DFTComponentsBuilder.create_eigensolver |
1 |
1 |
0 |
0% |
| gpaw/new/builder.py |
DFTComponentsBuilder.create_scf_loop |
5 |
0 |
0 |
100% |
| gpaw/new/builder.py |
DFTComponentsBuilder.read_ibz_wave_functions |
1 |
1 |
0 |
0% |
| gpaw/new/builder.py |
DFTComponentsBuilder.create_potential_calculator |
1 |
1 |
0 |
0% |
| gpaw/new/builder.py |
DFTComponentsBuilder.read_wavefunction_values |
32 |
3 |
0 |
91% |
| gpaw/new/builder.py |
DFTComponentsBuilder.create_environment |
1 |
0 |
0 |
100% |
| gpaw/new/builder.py |
create_communicators |
10 |
1 |
0 |
90% |
| gpaw/new/builder.py |
create_fourier_filter |
4 |
4 |
0 |
0% |
| gpaw/new/builder.py |
create_fourier_filter.filter |
3 |
3 |
0 |
0% |
| gpaw/new/builder.py |
normalize_initial_magmoms |
14 |
2 |
0 |
86% |
| gpaw/new/builder.py |
____create_kpts |
11 |
11 |
0 |
0% |
| gpaw/new/builder.py |
calculate_number_of_bands |
30 |
13 |
0 |
57% |
| gpaw/new/builder.py |
create_uniform_grid |
12 |
0 |
0 |
100% |
| gpaw/new/builder.py |
(no function) |
73 |
1 |
0 |
99% |
| gpaw/new/c.py |
(no function) |
26 |
13 |
0 |
50% |
| gpaw/new/calculation.py |
DFTCalculation.__init__ |
14 |
0 |
0 |
100% |
| gpaw/new/calculation.py |
DFTCalculation.__getattr__ |
4 |
4 |
0 |
0% |
| gpaw/new/calculation.py |
DFTCalculation.from_parameters |
25 |
1 |
0 |
96% |
| gpaw/new/calculation.py |
DFTCalculation.ase_calculator |
2 |
0 |
0 |
100% |
| gpaw/new/calculation.py |
DFTCalculation.move_atoms |
20 |
0 |
0 |
100% |
| gpaw/new/calculation.py |
DFTCalculation.iconverge |
5 |
0 |
0 |
100% |
| gpaw/new/calculation.py |
DFTCalculation.converge |
4 |
1 |
0 |
75% |
| gpaw/new/calculation.py |
DFTCalculation.energy |
4 |
0 |
0 |
100% |
| gpaw/new/calculation.py |
DFTCalculation.dipole |
6 |
1 |
0 |
83% |
| gpaw/new/calculation.py |
DFTCalculation.magmoms |
15 |
0 |
0 |
100% |
| gpaw/new/calculation.py |
DFTCalculation.forces |
11 |
0 |
0 |
100% |
| gpaw/new/calculation.py |
DFTCalculation._calculate_forces |
21 |
2 |
0 |
90% |
| gpaw/new/calculation.py |
DFTCalculation.stress |
7 |
1 |
0 |
86% |
| gpaw/new/calculation.py |
DFTCalculation.write_converged |
10 |
1 |
0 |
90% |
| gpaw/new/calculation.py |
DFTCalculation.workfunctions |
12 |
6 |
0 |
50% |
| gpaw/new/calculation.py |
DFTCalculation.vacuum_level |
1 |
1 |
0 |
0% |
| gpaw/new/calculation.py |
DFTCalculation.electrostatic_potential |
1 |
1 |
0 |
0% |
| gpaw/new/calculation.py |
DFTCalculation.densities |
1 |
0 |
0 |
100% |
| gpaw/new/calculation.py |
DFTCalculation.wave_function |
3 |
3 |
0 |
0% |
| gpaw/new/calculation.py |
DFTCalculation.wave_functions |
23 |
3 |
0 |
87% |
| gpaw/new/calculation.py |
DFTCalculation._atom_partition |
2 |
0 |
0 |
100% |
| gpaw/new/calculation.py |
DFTCalculation.new |
31 |
3 |
0 |
90% |
| gpaw/new/calculation.py |
DFTCalculation.new.create_wfs |
2 |
0 |
0 |
100% |
| gpaw/new/calculation.py |
DFTCalculation.get_state |
1 |
1 |
0 |
0% |
| gpaw/new/calculation.py |
DFTCalculation.state |
2 |
2 |
0 |
0% |
| gpaw/new/calculation.py |
write_atoms |
3 |
0 |
0 |
100% |
| gpaw/new/calculation.py |
DFTState.__init__ |
4 |
4 |
0 |
0% |
| gpaw/new/calculation.py |
(no function) |
63 |
1 |
0 |
98% |
| gpaw/new/constraints.py |
SpinDirectionConstraint.__init__ |
2 |
0 |
0 |
100% |
| gpaw/new/constraints.py |
SpinDirectionConstraint.update_non_local_hamiltonian |
3 |
0 |
0 |
100% |
| gpaw/new/constraints.py |
SpinDirectionConstraint.calculate |
23 |
1 |
0 |
96% |
| gpaw/new/constraints.py |
(no function) |
9 |
0 |
0 |
100% |
| gpaw/new/density.py |
Density.from_data_and_setups |
2 |
0 |
0 |
100% |
| gpaw/new/density.py |
Density.from_superposition |
16 |
2 |
0 |
88% |
| gpaw/new/density.py |
Density.__init__ |
20 |
0 |
0 |
100% |
| gpaw/new/density.py |
Density.__repr__ |
1 |
1 |
0 |
0% |
| gpaw/new/density.py |
Density.__str__ |
1 |
0 |
0 |
100% |
| gpaw/new/density.py |
Density.nct_R |
4 |
0 |
0 |
100% |
| gpaw/new/density.py |
Density.tauct_R |
4 |
0 |
0 |
100% |
| gpaw/new/density.py |
Density.new |
10 |
0 |
0 |
100% |
| gpaw/new/density.py |
Density.calculate_compensation_charge_coefficients |
7 |
0 |
0 |
100% |
| gpaw/new/density.py |
Density.normalize |
12 |
0 |
0 |
100% |
| gpaw/new/density.py |
Density.update |
8 |
1 |
0 |
88% |
| gpaw/new/density.py |
Density.update_ked |
8 |
1 |
0 |
88% |
| gpaw/new/density.py |
Density.symmetrize |
15 |
1 |
0 |
93% |
| gpaw/new/density.py |
Density.move |
7 |
0 |
0 |
100% |
| gpaw/new/density.py |
Density.redist |
1 |
0 |
0 |
100% |
| gpaw/new/density.py |
Density.calculate_dipole_moment |
14 |
0 |
0 |
100% |
| gpaw/new/density.py |
Density.calculate_orbital_magnetic_moments |
8 |
3 |
0 |
62% |
| gpaw/new/density.py |
Density.calculate_magnetic_moments |
22 |
0 |
0 |
100% |
| gpaw/new/density.py |
Density.write_to_gpw |
9 |
3 |
0 |
67% |
| gpaw/new/density.py |
atomic_occupation_numbers |
15 |
1 |
0 |
93% |
| gpaw/new/density.py |
(no function) |
47 |
0 |
0 |
100% |
| gpaw/new/eigensolver.py |
Eigensolver.iterate |
1 |
1 |
0 |
0% |
| gpaw/new/eigensolver.py |
Eigensolver.postprocess |
1 |
0 |
0 |
100% |
| gpaw/new/eigensolver.py |
Eigensolver.iterate_kpt |
8 |
0 |
0 |
100% |
| gpaw/new/eigensolver.py |
calculate_weights |
47 |
37 |
0 |
21% |
| gpaw/new/eigensolver.py |
(no function) |
17 |
0 |
0 |
100% |
| gpaw/new/energies.py |
DFTEnergies.__init__ |
3 |
0 |
0 |
100% |
| gpaw/new/energies.py |
DFTEnergies.set |
2 |
0 |
0 |
100% |
| gpaw/new/energies.py |
DFTEnergies.kinetic |
4 |
0 |
0 |
100% |
| gpaw/new/energies.py |
DFTEnergies.total_free |
7 |
1 |
0 |
86% |
| gpaw/new/energies.py |
DFTEnergies.total_extrapolated |
1 |
0 |
0 |
100% |
| gpaw/new/energies.py |
DFTEnergies.__repr__ |
2 |
2 |
0 |
0% |
| gpaw/new/energies.py |
DFTEnergies.extensions_energies |
1 |
0 |
0 |
100% |
| gpaw/new/energies.py |
DFTEnergies.summary |
17 |
5 |
0 |
71% |
| gpaw/new/energies.py |
DFTEnergies.write_to_gpw |
1 |
0 |
0 |
100% |
| gpaw/new/energies.py |
(no function) |
17 |
0 |
0 |
100% |
| gpaw/new/environment.py |
Environment.__init__ |
2 |
0 |
0 |
100% |
| gpaw/new/environment.py |
Environment.create_poisson_solver |
1 |
0 |
0 |
100% |
| gpaw/new/environment.py |
Environment.post_scf_convergence |
1 |
0 |
0 |
100% |
| gpaw/new/environment.py |
Environment.update1 |
1 |
0 |
0 |
100% |
| gpaw/new/environment.py |
Environment.update1pw |
1 |
0 |
0 |
100% |
| gpaw/new/environment.py |
Environment.update2 |
1 |
0 |
0 |
100% |
| gpaw/new/environment.py |
Environment.forces |
1 |
0 |
0 |
100% |
| gpaw/new/environment.py |
Jellium.__init__ |
5 |
5 |
0 |
0% |
| gpaw/new/environment.py |
Jellium.update1 |
1 |
1 |
0 |
0% |
| gpaw/new/environment.py |
Jellium.update1pw |
9 |
9 |
0 |
0% |
| gpaw/new/environment.py |
FixedPotentialJellium.__init__ |
4 |
4 |
0 |
0% |
| gpaw/new/environment.py |
FixedPotentialJellium.post_scf_convergence |
19 |
19 |
0 |
0% |
| gpaw/new/environment.py |
(no function) |
21 |
0 |
0 |
100% |
| gpaw/new/extensions.py |
Extension.get_energy_contributions |
1 |
0 |
0 |
100% |
| gpaw/new/extensions.py |
Extension.force_contribution |
1 |
1 |
0 |
0% |
| gpaw/new/extensions.py |
Extension.move_atoms |
1 |
1 |
0 |
0% |
| gpaw/new/extensions.py |
Extension.update_non_local_hamiltonian |
1 |
1 |
0 |
0% |
| gpaw/new/extensions.py |
Extension.build |
1 |
0 |
0 |
100% |
| gpaw/new/extensions.py |
D3.__init__ |
2 |
2 |
0 |
0% |
| gpaw/new/extensions.py |
D3.todict |
1 |
1 |
0 |
0% |
| gpaw/new/extensions.py |
D3.build |
14 |
14 |
0 |
0% |
| gpaw/new/extensions.py |
D3.build.D3Extension.__init__ |
5 |
5 |
0 |
0% |
| gpaw/new/extensions.py |
D3.build.D3Extension._calculate |
15 |
15 |
0 |
0% |
| gpaw/new/extensions.py |
D3.build.D3Extension.calculate_single_core |
21 |
21 |
0 |
0% |
| gpaw/new/extensions.py |
D3.build.D3Extension.get_energy_contributions |
1 |
1 |
0 |
0% |
| gpaw/new/extensions.py |
D3.build.D3Extension.get_energy |
1 |
1 |
0 |
0% |
| gpaw/new/extensions.py |
D3.build.D3Extension.force_contribution |
1 |
1 |
0 |
0% |
| gpaw/new/extensions.py |
D3.build.D3Extension.stress_contribution |
3 |
3 |
0 |
0% |
| gpaw/new/extensions.py |
D3.build.D3Extension.move_atoms |
2 |
2 |
0 |
0% |
| gpaw/new/extensions.py |
(no function) |
20 |
0 |
0 |
100% |
| gpaw/new/external_potential.py |
create_external_potential |
9 |
9 |
0 |
0% |
| gpaw/new/external_potential.py |
ExternalPotential.update_potential |
1 |
1 |
0 |
0% |
| gpaw/new/external_potential.py |
ExternalPotential.add_paw_correction |
1 |
1 |
0 |
0% |
| gpaw/new/external_potential.py |
ConstantElectricField.__init__ |
6 |
6 |
0 |
0% |
| gpaw/new/external_potential.py |
ConstantElectricField.__str__ |
1 |
1 |
0 |
0% |
| gpaw/new/external_potential.py |
ConstantElectricField.update_potential |
9 |
9 |
0 |
0% |
| gpaw/new/external_potential.py |
BField.__init__ |
2 |
2 |
0 |
0% |
| gpaw/new/external_potential.py |
BField.update_potential |
11 |
11 |
0 |
0% |
| gpaw/new/external_potential.py |
BField.add_paw_correction |
7 |
7 |
0 |
0% |
| gpaw/new/external_potential.py |
(no function) |
18 |
0 |
0 |
100% |
| gpaw/new/fd/builder.py |
FDDFTComponentsBuilder.__init__ |
8 |
0 |
0 |
100% |
| gpaw/new/fd/builder.py |
FDDFTComponentsBuilder.create_uniform_grids |
3 |
0 |
0 |
100% |
| gpaw/new/fd/builder.py |
FDDFTComponentsBuilder.create_wf_description |
1 |
0 |
0 |
100% |
| gpaw/new/fd/builder.py |
FDDFTComponentsBuilder.get_pseudo_core_densities |
3 |
0 |
0 |
100% |
| gpaw/new/fd/builder.py |
FDDFTComponentsBuilder.get_pseudo_core_ked |
3 |
0 |
0 |
100% |
| gpaw/new/fd/builder.py |
FDDFTComponentsBuilder.create_potential_calculator |
3 |
0 |
0 |
100% |
| gpaw/new/fd/builder.py |
FDDFTComponentsBuilder.create_hamiltonian_operator |
1 |
0 |
0 |
100% |
| gpaw/new/fd/builder.py |
FDDFTComponentsBuilder.convert_wave_functions_from_uniform_grid |
5 |
0 |
0 |
100% |
| gpaw/new/fd/builder.py |
FDDFTComponentsBuilder.read_ibz_wave_functions |
29 |
2 |
0 |
93% |
| gpaw/new/fd/builder.py |
(no function) |
17 |
0 |
0 |
100% |
| gpaw/new/fd/hamiltonian.py |
FDHamiltonian.__init__ |
4 |
0 |
0 |
100% |
| gpaw/new/fd/hamiltonian.py |
FDHamiltonian.apply_local_potential |
5 |
0 |
0 |
100% |
| gpaw/new/fd/hamiltonian.py |
FDHamiltonian.apply_mgga |
11 |
11 |
0 |
0% |
| gpaw/new/fd/hamiltonian.py |
FDHamiltonian.create_preconditioner |
5 |
0 |
0 |
100% |
| gpaw/new/fd/hamiltonian.py |
FDHamiltonian.create_preconditioner.apply |
2 |
0 |
0 |
100% |
| gpaw/new/fd/hamiltonian.py |
FDHamiltonian.calculate_kinetic_energy |
8 |
8 |
0 |
0% |
| gpaw/new/fd/hamiltonian.py |
(no function) |
12 |
0 |
0 |
100% |
| gpaw/new/fd/pot_calc.py |
FDPotentialCalculator.__init__ |
12 |
0 |
0 |
100% |
| gpaw/new/fd/pot_calc.py |
FDPotentialCalculator.__str__ |
5 |
0 |
0 |
100% |
| gpaw/new/fd/pot_calc.py |
FDPotentialCalculator.interpolate |
1 |
0 |
0 |
100% |
| gpaw/new/fd/pot_calc.py |
FDPotentialCalculator.restrict |
1 |
0 |
0 |
100% |
| gpaw/new/fd/pot_calc.py |
FDPotentialCalculator.calculate_non_selfconsistent_exc |
6 |
6 |
0 |
0% |
| gpaw/new/fd/pot_calc.py |
FDPotentialCalculator._interpolate_density |
8 |
0 |
0 |
100% |
| gpaw/new/fd/pot_calc.py |
FDPotentialCalculator.calculate_pseudo_potential |
30 |
1 |
0 |
97% |
| gpaw/new/fd/pot_calc.py |
FDPotentialCalculator.move |
4 |
4 |
0 |
0% |
| gpaw/new/fd/pot_calc.py |
FDPotentialCalculator.force_contributions |
17 |
2 |
0 |
88% |
| gpaw/new/fd/pot_calc.py |
(no function) |
17 |
0 |
0 |
100% |
| gpaw/new/gpw.py |
as_single_precision |
3 |
0 |
0 |
100% |
| gpaw/new/gpw.py |
as_double_precision |
7 |
1 |
0 |
86% |
| gpaw/new/gpw.py |
GPWFlags.__post_init__ |
2 |
1 |
0 |
50% |
| gpaw/new/gpw.py |
GPWFlags.storage_dtype |
8 |
1 |
0 |
88% |
| gpaw/new/gpw.py |
GPWFlags.to_storage_dtype |
3 |
0 |
0 |
100% |
| gpaw/new/gpw.py |
write_gpw |
23 |
2 |
0 |
91% |
| gpaw/new/gpw.py |
write_wave_function_indices |
24 |
6 |
0 |
75% |
| gpaw/new/gpw.py |
read_gpw |
128 |
35 |
0 |
73% |
| gpaw/new/gpw.py |
convert_to_new_packing_convention |
6 |
0 |
0 |
100% |
| gpaw/new/gpw.py |
(no function) |
34 |
0 |
0 |
100% |
| gpaw/new/hamiltonian.py |
Hamiltonian.apply |
5 |
1 |
0 |
80% |
| gpaw/new/hamiltonian.py |
Hamiltonian.apply_local_potential |
1 |
1 |
0 |
0% |
| gpaw/new/hamiltonian.py |
Hamiltonian.apply_mgga |
1 |
1 |
0 |
0% |
| gpaw/new/hamiltonian.py |
Hamiltonian.apply_orbital_dependent |
1 |
0 |
0 |
100% |
| gpaw/new/hamiltonian.py |
Hamiltonian.create_preconditioner |
1 |
1 |
0 |
0% |
| gpaw/new/hamiltonian.py |
(no function) |
11 |
0 |
0 |
100% |
| gpaw/new/ibzwfs.py |
IBZWaveFunctions.__init__ |
24 |
0 |
0 |
100% |
| gpaw/new/ibzwfs.py |
IBZWaveFunctions.create |
12 |
0 |
0 |
100% |
| gpaw/new/ibzwfs.py |
IBZWaveFunctions.mode |
6 |
0 |
0 |
100% |
| gpaw/new/ibzwfs.py |
IBZWaveFunctions.has_wave_functions |
1 |
1 |
0 |
0% |
| gpaw/new/ibzwfs.py |
IBZWaveFunctions.get_max_shape |
5 |
0 |
0 |
100% |
| gpaw/new/ibzwfs.py |
IBZWaveFunctions.fermi_level |
3 |
0 |
0 |
100% |
| gpaw/new/ibzwfs.py |
IBZWaveFunctions.__str__ |
5 |
0 |
0 |
100% |
| gpaw/new/ibzwfs.py |
IBZWaveFunctions.__iter__ |
2 |
0 |
0 |
100% |
| gpaw/new/ibzwfs.py |
IBZWaveFunctions.move |
4 |
0 |
0 |
100% |
| gpaw/new/ibzwfs.py |
IBZWaveFunctions.orthonormalize |
2 |
2 |
0 |
0% |
| gpaw/new/ibzwfs.py |
IBZWaveFunctions.calculate_occs |
13 |
0 |
0 |
100% |
| gpaw/new/ibzwfs.py |
IBZWaveFunctions.add_to_density |
8 |
0 |
0 |
100% |
| gpaw/new/ibzwfs.py |
IBZWaveFunctions.normalize_density |
1 |
0 |
0 |
100% |
| gpaw/new/ibzwfs.py |
IBZWaveFunctions.add_to_ked |
6 |
1 |
0 |
83% |
| gpaw/new/ibzwfs.py |
IBZWaveFunctions.get_all_electron_wave_function |
12 |
1 |
0 |
92% |
| gpaw/new/ibzwfs.py |
IBZWaveFunctions.get_wfs |
12 |
6 |
0 |
50% |
| gpaw/new/ibzwfs.py |
IBZWaveFunctions.get_eigs_and_occs |
15 |
9 |
0 |
40% |
| gpaw/new/ibzwfs.py |
IBZWaveFunctions.get_all_eigs_and_occs |
14 |
0 |
0 |
100% |
| gpaw/new/ibzwfs.py |
IBZWaveFunctions.forces |
8 |
0 |
0 |
100% |
| gpaw/new/ibzwfs.py |
IBZWaveFunctions.write |
34 |
9 |
0 |
74% |
| gpaw/new/ibzwfs.py |
IBZWaveFunctions._write_wave_functions |
26 |
4 |
0 |
85% |
| gpaw/new/ibzwfs.py |
IBZWaveFunctions.write_summary |
43 |
8 |
0 |
81% |
| gpaw/new/ibzwfs.py |
IBZWaveFunctions.make_sure_wfs_are_read_from_gpw_file |
7 |
2 |
0 |
71% |
| gpaw/new/ibzwfs.py |
IBZWaveFunctions.get_homo_lumo |
27 |
2 |
0 |
93% |
| gpaw/new/ibzwfs.py |
IBZWaveFunctions.calculate_kinetic_energy |
11 |
11 |
0 |
0% |
| gpaw/new/ibzwfs.py |
(no function) |
51 |
1 |
0 |
98% |
| gpaw/new/lcao/builder.py |
LCAODFTComponentsBuilder.__init__ |
3 |
0 |
0 |
100% |
| gpaw/new/lcao/builder.py |
LCAODFTComponentsBuilder.create_wf_description |
1 |
1 |
0 |
0% |
| gpaw/new/lcao/builder.py |
LCAODFTComponentsBuilder.create_xc_functional |
3 |
3 |
0 |
0% |
| gpaw/new/lcao/builder.py |
LCAODFTComponentsBuilder.create_basis_set |
2 |
0 |
0 |
100% |
| gpaw/new/lcao/builder.py |
LCAODFTComponentsBuilder.create_hamiltonian_operator |
1 |
0 |
0 |
100% |
| gpaw/new/lcao/builder.py |
LCAODFTComponentsBuilder.create_eigensolver |
8 |
0 |
0 |
100% |
| gpaw/new/lcao/builder.py |
LCAODFTComponentsBuilder.read_ibz_wave_functions |
12 |
0 |
0 |
100% |
| gpaw/new/lcao/builder.py |
LCAODFTComponentsBuilder.create_ibz_wave_functions |
2 |
0 |
0 |
100% |
| gpaw/new/lcao/builder.py |
create_lcao_ibzwfs |
10 |
0 |
0 |
100% |
| gpaw/new/lcao/builder.py |
create_lcao_ibzwfs.create_wfs |
7 |
0 |
0 |
100% |
| gpaw/new/lcao/builder.py |
tci_helper |
28 |
0 |
0 |
100% |
| gpaw/new/lcao/builder.py |
(no function) |
22 |
0 |
0 |
100% |
| gpaw/new/lcao/eigensolver.py |
LCAOEigensolver.__init__ |
2 |
0 |
0 |
100% |
| gpaw/new/lcao/eigensolver.py |
LCAOEigensolver.iterate |
9 |
0 |
0 |
100% |
| gpaw/new/lcao/eigensolver.py |
LCAOEigensolver.iterate1 |
16 |
3 |
0 |
81% |
| gpaw/new/lcao/eigensolver.py |
(no function) |
10 |
0 |
0 |
100% |
| gpaw/new/lcao/forces.py |
TCIDerivatives.__init__ |
4 |
0 |
0 |
100% |
| gpaw/new/lcao/forces.py |
TCIDerivatives.calculate_derivatives |
8 |
0 |
0 |
100% |
| gpaw/new/lcao/forces.py |
add_force_contributions |
18 |
0 |
0 |
100% |
| gpaw/new/lcao/forces.py |
add_kinetic_term |
5 |
0 |
0 |
100% |
| gpaw/new/lcao/forces.py |
add_pot_term |
1 |
0 |
0 |
100% |
| gpaw/new/lcao/forces.py |
add_den_mat_term |
5 |
0 |
0 |
100% |
| gpaw/new/lcao/forces.py |
add_den_mat_paw_term |
15 |
0 |
0 |
100% |
| gpaw/new/lcao/forces.py |
add_atomic_density_term |
15 |
0 |
0 |
100% |
| gpaw/new/lcao/forces.py |
(no function) |
19 |
0 |
0 |
100% |
| gpaw/new/lcao/hamiltonian.py |
HamiltonianMatrixCalculator.calculate_matrix |
1 |
1 |
0 |
0% |
| gpaw/new/lcao/hamiltonian.py |
CollinearHamiltonianMatrixCalculator.__init__ |
4 |
0 |
0 |
100% |
| gpaw/new/lcao/hamiltonian.py |
CollinearHamiltonianMatrixCalculator.calculate_matrix |
3 |
1 |
0 |
67% |
| gpaw/new/lcao/hamiltonian.py |
CollinearHamiltonianMatrixCalculator._calculate_potential_matrix |
9 |
0 |
0 |
100% |
| gpaw/new/lcao/hamiltonian.py |
CollinearHamiltonianMatrixCalculator._calculate_matrix_without_kinetic |
10 |
0 |
0 |
100% |
| gpaw/new/lcao/hamiltonian.py |
CollinearHamiltonianMatrixCalculator._calculate_matrix_with_kinetic |
8 |
0 |
0 |
100% |
| gpaw/new/lcao/hamiltonian.py |
NonCollinearHamiltonianMatrixCalculator.__init__ |
1 |
0 |
0 |
100% |
| gpaw/new/lcao/hamiltonian.py |
NonCollinearHamiltonianMatrixCalculator.calculate_matrix |
17 |
1 |
0 |
94% |
| gpaw/new/lcao/hamiltonian.py |
LCAOHamiltonian.__init__ |
1 |
0 |
0 |
100% |
| gpaw/new/lcao/hamiltonian.py |
LCAOHamiltonian.create_hamiltonian_matrix_calculator |
6 |
0 |
0 |
100% |
| gpaw/new/lcao/hamiltonian.py |
LCAOHamiltonian.create_kick_matrix_calculator |
13 |
13 |
0 |
0% |
| gpaw/new/lcao/hamiltonian.py |
(no function) |
26 |
0 |
0 |
100% |
| gpaw/new/lcao/hybrids.py |
HybridXCFunctional.__init__ |
2 |
2 |
0 |
0% |
| gpaw/new/lcao/hybrids.py |
HybridXCFunctional.calculate |
2 |
2 |
0 |
0% |
| gpaw/new/lcao/hybrids.py |
HybridXCFunctional.calculate_paw_correction |
2 |
2 |
0 |
0% |
| gpaw/new/lcao/hybrids.py |
HybridLCAOEigensolver.__init__ |
2 |
2 |
0 |
0% |
| gpaw/new/lcao/hybrids.py |
HybridLCAOEigensolver.iterate |
4 |
4 |
0 |
0% |
| gpaw/new/lcao/hybrids.py |
(no function) |
10 |
0 |
0 |
100% |
| gpaw/new/lcao/ibzwfs.py |
LCAOIBZWaveFunctions.has_wave_functions |
1 |
0 |
0 |
100% |
| gpaw/new/lcao/ibzwfs.py |
LCAOIBZWaveFunctions.move |
15 |
15 |
0 |
0% |
| gpaw/new/lcao/ibzwfs.py |
LCAOIBZWaveFunctions.normalize_density |
5 |
0 |
0 |
100% |
| gpaw/new/lcao/ibzwfs.py |
(no function) |
8 |
0 |
0 |
100% |
| gpaw/new/lcao/wave_functions.py |
LCAOWaveFunctions.__init__ |
10 |
0 |
0 |
100% |
| gpaw/new/lcao/wave_functions.py |
LCAOWaveFunctions.move |
3 |
3 |
0 |
0% |
| gpaw/new/lcao/wave_functions.py |
LCAOWaveFunctions._update_phases |
12 |
12 |
0 |
0% |
| gpaw/new/lcao/wave_functions.py |
LCAOWaveFunctions.L_MM |
12 |
0 |
0 |
100% |
| gpaw/new/lcao/wave_functions.py |
LCAOWaveFunctions._short_string |
1 |
0 |
0 |
100% |
| gpaw/new/lcao/wave_functions.py |
LCAOWaveFunctions.array_shape |
3 |
1 |
0 |
67% |
| gpaw/new/lcao/wave_functions.py |
LCAOWaveFunctions._layout |
2 |
0 |
0 |
100% |
| gpaw/new/lcao/wave_functions.py |
LCAOWaveFunctions.P_ani |
7 |
1 |
0 |
86% |
| gpaw/new/lcao/wave_functions.py |
LCAOWaveFunctions.add_to_density |
4 |
0 |
0 |
100% |
| gpaw/new/lcao/wave_functions.py |
LCAOWaveFunctions.gather_wave_function_coefficients |
4 |
1 |
0 |
75% |
| gpaw/new/lcao/wave_functions.py |
LCAOWaveFunctions.calculate_density_matrix |
13 |
1 |
0 |
92% |
| gpaw/new/lcao/wave_functions.py |
LCAOWaveFunctions.to_uniform_grid_wave_functions |
7 |
0 |
0 |
100% |
| gpaw/new/lcao/wave_functions.py |
LCAOWaveFunctions.collect |
3 |
0 |
0 |
100% |
| gpaw/new/lcao/wave_functions.py |
LCAOWaveFunctions.force_contribution |
3 |
0 |
0 |
100% |
| gpaw/new/lcao/wave_functions.py |
LCAOWaveFunctions.send |
2 |
2 |
0 |
0% |
| gpaw/new/lcao/wave_functions.py |
LCAOWaveFunctions.receive |
2 |
2 |
0 |
0% |
| gpaw/new/lcao/wave_functions.py |
(no function) |
31 |
0 |
0 |
100% |
| gpaw/new/logger.py |
indent |
3 |
0 |
0 |
100% |
| gpaw/new/logger.py |
Logger.__init__ |
24 |
3 |
0 |
88% |
| gpaw/new/logger.py |
Logger.__del__ |
1 |
0 |
0 |
100% |
| gpaw/new/logger.py |
Logger.close |
2 |
0 |
0 |
100% |
| gpaw/new/logger.py |
Logger.indent |
4 |
0 |
0 |
100% |
| gpaw/new/logger.py |
Logger.__call__ |
7 |
0 |
0 |
100% |
| gpaw/new/logger.py |
can_colorize |
11 |
3 |
0 |
73% |
| gpaw/new/logger.py |
_can_colorize |
19 |
11 |
0 |
42% |
| gpaw/new/logger.py |
(no function) |
20 |
0 |
0 |
100% |
| gpaw/new/magma.py |
eigh_magma_cpu |
7 |
7 |
0 |
0% |
| gpaw/new/magma.py |
eigh_magma_gpu |
13 |
13 |
0 |
0% |
| gpaw/new/magma.py |
(no function) |
6 |
0 |
0 |
100% |
| gpaw/new/orbmag.py |
calculate_orbmag_from_density |
14 |
0 |
0 |
100% |
| gpaw/new/orbmag.py |
(no function) |
5 |
0 |
0 |
100% |
| gpaw/new/poisson.py |
PoissonSolver.solve |
1 |
1 |
0 |
0% |
| gpaw/new/poisson.py |
PoissonSolver.dipole_layer_correction |
1 |
0 |
0 |
100% |
| gpaw/new/poisson.py |
PoissonSolverWrapper.__init__ |
2 |
0 |
0 |
100% |
| gpaw/new/poisson.py |
PoissonSolverWrapper.__str__ |
1 |
0 |
0 |
100% |
| gpaw/new/poisson.py |
PoissonSolverWrapper.solve |
2 |
0 |
0 |
100% |
| gpaw/new/poisson.py |
PoissonSolverWrapper.dipole_layer_correction |
4 |
0 |
0 |
100% |
| gpaw/new/poisson.py |
(no function) |
9 |
0 |
0 |
100% |
| gpaw/new/pot_calc.py |
PotentialCalculator.__init__ |
7 |
0 |
0 |
100% |
| gpaw/new/pot_calc.py |
PotentialCalculator.__str__ |
1 |
0 |
0 |
100% |
| gpaw/new/pot_calc.py |
PotentialCalculator.calculate_pseudo_potential |
1 |
1 |
0 |
0% |
| gpaw/new/pot_calc.py |
PotentialCalculator.move |
2 |
1 |
0 |
50% |
| gpaw/new/pot_calc.py |
PotentialCalculator.extensions_force_av |
3 |
1 |
0 |
67% |
| gpaw/new/pot_calc.py |
PotentialCalculator.extensions_stress_contribution |
3 |
1 |
0 |
67% |
| gpaw/new/pot_calc.py |
PotentialCalculator.calculate_charges |
1 |
1 |
0 |
0% |
| gpaw/new/pot_calc.py |
PotentialCalculator.restrict |
1 |
1 |
0 |
0% |
| gpaw/new/pot_calc.py |
PotentialCalculator.calculate_without_orbitals |
8 |
3 |
0 |
62% |
| gpaw/new/pot_calc.py |
PotentialCalculator.calculate |
28 |
6 |
0 |
79% |
| gpaw/new/pot_calc.py |
calculate_non_local_potential |
22 |
1 |
0 |
95% |
| gpaw/new/pot_calc.py |
calculate_non_local_potential1 |
25 |
3 |
0 |
88% |
| gpaw/new/pot_calc.py |
(no function) |
37 |
0 |
0 |
100% |
| gpaw/new/potential.py |
Potential.__init__ |
5 |
0 |
0 |
100% |
| gpaw/new/potential.py |
Potential.__repr__ |
1 |
1 |
0 |
0% |
| gpaw/new/potential.py |
Potential.__str__ |
1 |
0 |
0 |
100% |
| gpaw/new/potential.py |
Potential.dH |
11 |
0 |
0 |
100% |
| gpaw/new/potential.py |
Potential.move |
1 |
0 |
0 |
100% |
| gpaw/new/potential.py |
Potential.redist |
1 |
0 |
0 |
100% |
| gpaw/new/potential.py |
Potential.write_to_gpw |
15 |
4 |
0 |
73% |
| gpaw/new/potential.py |
Potential.get_vacuum_level |
23 |
3 |
0 |
87% |
| gpaw/new/potential.py |
(no function) |
18 |
0 |
0 |
100% |
| gpaw/new/pw/bloechl_poisson.py |
vg |
12 |
0 |
0 |
100% |
| gpaw/new/pw/bloechl_poisson.py |
tci |
10 |
0 |
0 |
100% |
| gpaw/new/pw/bloechl_poisson.py |
BloechlPAWPoissonSolver.__init__ |
47 |
6 |
0 |
87% |
| gpaw/new/pw/bloechl_poisson.py |
BloechlPAWPoissonSolver.get_neighbors |
7 |
0 |
0 |
100% |
| gpaw/new/pw/bloechl_poisson.py |
BloechlPAWPoissonSolver.dipole_layer_correction |
1 |
1 |
0 |
0% |
| gpaw/new/pw/bloechl_poisson.py |
BloechlPAWPoissonSolver.move |
6 |
6 |
0 |
0% |
| gpaw/new/pw/bloechl_poisson.py |
BloechlPAWPoissonSolver.solve |
44 |
1 |
0 |
98% |
| gpaw/new/pw/bloechl_poisson.py |
BloechlPAWPoissonSolver.force_contribution |
7 |
0 |
0 |
100% |
| gpaw/new/pw/bloechl_poisson.py |
BloechlPAWPoissonSolver._force_and_stress |
23 |
1 |
0 |
96% |
| gpaw/new/pw/bloechl_poisson.py |
BloechlPAWPoissonSolver.stress_contribution |
2 |
2 |
0 |
0% |
| gpaw/new/pw/bloechl_poisson.py |
(no function) |
23 |
0 |
0 |
100% |
| gpaw/new/pw/builder.py |
PWDFTComponentsBuilder.__init__ |
8 |
1 |
0 |
88% |
| gpaw/new/pw/builder.py |
PWDFTComponentsBuilder.create_uniform_grids |
3 |
0 |
0 |
100% |
| gpaw/new/pw/builder.py |
PWDFTComponentsBuilder.create_wf_description |
1 |
0 |
0 |
100% |
| gpaw/new/pw/builder.py |
PWDFTComponentsBuilder.create_xc_functional |
1 |
1 |
0 |
0% |
| gpaw/new/pw/builder.py |
PWDFTComponentsBuilder.interpolation_desc |
2 |
0 |
0 |
100% |
| gpaw/new/pw/builder.py |
PWDFTComponentsBuilder.electrostatic_potential_desc |
3 |
1 |
0 |
67% |
| gpaw/new/pw/builder.py |
PWDFTComponentsBuilder.fast_poisson_solver |
10 |
7 |
0 |
30% |
| gpaw/new/pw/builder.py |
PWDFTComponentsBuilder.get_pseudo_core_densities |
3 |
0 |
0 |
100% |
| gpaw/new/pw/builder.py |
PWDFTComponentsBuilder.get_pseudo_core_ked |
3 |
0 |
0 |
100% |
| gpaw/new/pw/builder.py |
PWDFTComponentsBuilder.create_poisson_solver |
11 |
3 |
0 |
73% |
| gpaw/new/pw/builder.py |
PWDFTComponentsBuilder.create_potential_calculator |
2 |
0 |
0 |
100% |
| gpaw/new/pw/builder.py |
PWDFTComponentsBuilder.create_hamiltonian_operator |
8 |
4 |
0 |
50% |
| gpaw/new/pw/builder.py |
PWDFTComponentsBuilder.convert_wave_functions_from_uniform_grid |
40 |
13 |
0 |
68% |
| gpaw/new/pw/builder.py |
PWDFTComponentsBuilder.read_ibz_wave_functions |
40 |
3 |
0 |
92% |
| gpaw/new/pw/builder.py |
check_g_vector_ordering |
7 |
0 |
0 |
100% |
| gpaw/new/pw/builder.py |
(no function) |
41 |
0 |
0 |
100% |
| gpaw/new/pw/fulldiag.py |
pw_matrix |
47 |
47 |
0 |
0% |
| gpaw/new/pw/fulldiag.py |
diagonalize |
30 |
30 |
0 |
0% |
| gpaw/new/pw/fulldiag.py |
(no function) |
14 |
0 |
0 |
100% |
| gpaw/new/pw/hamiltonian.py |
PWHamiltonian.__init__ |
3 |
0 |
0 |
100% |
| gpaw/new/pw/hamiltonian.py |
PWHamiltonian.apply_local_potential |
31 |
5 |
0 |
84% |
| gpaw/new/pw/hamiltonian.py |
PWHamiltonian.apply_mgga |
12 |
12 |
0 |
0% |
| gpaw/new/pw/hamiltonian.py |
PWHamiltonian.create_preconditioner |
1 |
0 |
0 |
100% |
| gpaw/new/pw/hamiltonian.py |
PWHamiltonian.calculate_kinetic_energy |
8 |
8 |
0 |
0% |
| gpaw/new/pw/hamiltonian.py |
precondition |
9 |
0 |
0 |
100% |
| gpaw/new/pw/hamiltonian.py |
gpu_prec |
4 |
0 |
0 |
100% |
| gpaw/new/pw/hamiltonian.py |
spinor_precondition |
4 |
0 |
0 |
100% |
| gpaw/new/pw/hamiltonian.py |
SpinorPWHamiltonian.__init__ |
2 |
0 |
0 |
100% |
| gpaw/new/pw/hamiltonian.py |
SpinorPWHamiltonian.apply |
21 |
3 |
0 |
86% |
| gpaw/new/pw/hamiltonian.py |
SpinorPWHamiltonian.create_preconditioner |
1 |
0 |
0 |
100% |
| gpaw/new/pw/hamiltonian.py |
apply_local_potential_gpu |
30 |
0 |
0 |
100% |
| gpaw/new/pw/hamiltonian.py |
(no function) |
30 |
0 |
0 |
100% |
| gpaw/new/pw/hybrids.py |
coulomb |
4 |
4 |
0 |
0% |
| gpaw/new/pw/hybrids.py |
truncated_coulomb |
9 |
1 |
0 |
89% |
| gpaw/new/pw/hybrids.py |
Psi.empty |
1 |
1 |
0 |
0% |
| gpaw/new/pw/hybrids.py |
Psi.comm |
1 |
1 |
0 |
0% |
| gpaw/new/pw/hybrids.py |
Psi.send |
1 |
1 |
0 |
0% |
| gpaw/new/pw/hybrids.py |
Psi.receive |
1 |
1 |
0 |
0% |
| gpaw/new/pw/hybrids.py |
Psi.wait |
2 |
2 |
0 |
0% |
| gpaw/new/pw/hybrids.py |
PWHybridHamiltonian.__init__ |
19 |
19 |
0 |
0% |
| gpaw/new/pw/hybrids.py |
PWHybridHamiltonian.apply_orbital_dependent |
20 |
20 |
0 |
0% |
| gpaw/new/pw/hybrids.py |
PWHybridHamiltonian.apply1 |
54 |
54 |
0 |
0% |
| gpaw/new/pw/hybrids.py |
PWHybridHamiltonian.inner |
15 |
15 |
0 |
0% |
| gpaw/new/pw/hybrids.py |
PWHybridHamiltonian.inner2 |
23 |
23 |
0 |
0% |
| gpaw/new/pw/hybrids.py |
PWHybridHamiltonian.inner2_real_space |
13 |
13 |
0 |
0% |
| gpaw/new/pw/hybrids.py |
ifft |
2 |
2 |
0 |
0% |
| gpaw/new/pw/hybrids.py |
fft |
2 |
0 |
0 |
100% |
| gpaw/new/pw/hybrids.py |
(no function) |
40 |
0 |
0 |
100% |
| gpaw/new/pw/nschse.py |
NonSelfConsistentHSE06.from_dft_calculation |
2 |
0 |
0 |
100% |
| gpaw/new/pw/nschse.py |
NonSelfConsistentHSE06.__init__ |
22 |
0 |
0 |
100% |
| gpaw/new/pw/nschse.py |
NonSelfConsistentHSE06.calculate |
46 |
0 |
0 |
100% |
| gpaw/new/pw/nschse.py |
NonSelfConsistentHSE06.calculate_one_kpt |
17 |
0 |
0 |
100% |
| gpaw/new/pw/nschse.py |
NonSelfConsistentHSE06._exx_part |
19 |
0 |
0 |
100% |
| gpaw/new/pw/nschse.py |
NonSelfConsistentHSE06._semi_local_xc_part |
9 |
0 |
0 |
100% |
| gpaw/new/pw/nschse.py |
number_of_non_empty_bands |
4 |
0 |
0 |
100% |
| gpaw/new/pw/nschse.py |
ibz2bz |
79 |
7 |
0 |
91% |
| gpaw/new/pw/nschse.py |
nsc_corrections |
20 |
1 |
0 |
95% |
| gpaw/new/pw/nschse.py |
(no function) |
42 |
0 |
0 |
100% |
| gpaw/new/pw/paw_poisson.py |
PAWPoissonSolver.__init__ |
1 |
0 |
0 |
100% |
| gpaw/new/pw/paw_poisson.py |
PAWPoissonSolver.dipole_layer_correction |
1 |
0 |
0 |
100% |
| gpaw/new/pw/paw_poisson.py |
PAWPoissonSolver.move |
1 |
1 |
0 |
0% |
| gpaw/new/pw/paw_poisson.py |
PAWPoissonSolver.solve |
1 |
1 |
0 |
0% |
| gpaw/new/pw/paw_poisson.py |
SlowPAWPoissonSolver.__init__ |
10 |
0 |
0 |
100% |
| gpaw/new/pw/paw_poisson.py |
SlowPAWPoissonSolver.move |
1 |
0 |
0 |
100% |
| gpaw/new/pw/paw_poisson.py |
SlowPAWPoissonSolver.solve |
24 |
8 |
0 |
67% |
| gpaw/new/pw/paw_poisson.py |
SlowPAWPoissonSolver.force_contribution |
5 |
0 |
0 |
100% |
| gpaw/new/pw/paw_poisson.py |
SlowPAWPoissonSolver.stress_contribution |
1 |
0 |
0 |
100% |
| gpaw/new/pw/paw_poisson.py |
SimplePAWPoissonSolver.__init__ |
16 |
1 |
0 |
94% |
| gpaw/new/pw/paw_poisson.py |
SimplePAWPoissonSolver.solve |
11 |
0 |
0 |
100% |
| gpaw/new/pw/paw_poisson.py |
SimplePAWPoissonSolver.force_contribution |
5 |
0 |
0 |
100% |
| gpaw/new/pw/paw_poisson.py |
(no function) |
24 |
0 |
0 |
100% |
| gpaw/new/pw/poisson.py |
make_poisson_solver |
10 |
4 |
0 |
60% |
| gpaw/new/pw/poisson.py |
PWPoissonSolver.__init__ |
6 |
0 |
0 |
100% |
| gpaw/new/pw/poisson.py |
PWPoissonSolver.__str__ |
6 |
6 |
0 |
0% |
| gpaw/new/pw/poisson.py |
PWPoissonSolver.solve |
2 |
0 |
0 |
100% |
| gpaw/new/pw/poisson.py |
PWPoissonSolver._solve |
8 |
0 |
0 |
100% |
| gpaw/new/pw/poisson.py |
ChargedPWPoissonSolver.__init__ |
18 |
18 |
0 |
0% |
| gpaw/new/pw/poisson.py |
ChargedPWPoissonSolver.__str__ |
4 |
4 |
0 |
0% |
| gpaw/new/pw/poisson.py |
ChargedPWPoissonSolver._solve |
14 |
14 |
0 |
0% |
| gpaw/new/pw/poisson.py |
DipoleLayerPWPoissonSolver.__init__ |
8 |
8 |
0 |
0% |
| gpaw/new/pw/poisson.py |
DipoleLayerPWPoissonSolver.solve |
11 |
11 |
0 |
0% |
| gpaw/new/pw/poisson.py |
DipoleLayerPWPoissonSolver.dipole_layer_correction |
1 |
1 |
0 |
0% |
| gpaw/new/pw/poisson.py |
DipoleLayerPWPoissonSolver.sawtooth_g |
22 |
22 |
0 |
0% |
| gpaw/new/pw/poisson.py |
ConjugateGradientPoissonSolver.__init__ |
15 |
0 |
0 |
100% |
| gpaw/new/pw/poisson.py |
ConjugateGradientPoissonSolver.__str__ |
6 |
6 |
0 |
0% |
| gpaw/new/pw/poisson.py |
ConjugateGradientPoissonSolver.get_description |
1 |
1 |
0 |
0% |
| gpaw/new/pw/poisson.py |
ConjugateGradientPoissonSolver.operator |
10 |
0 |
0 |
100% |
| gpaw/new/pw/poisson.py |
ConjugateGradientPoissonSolver._solve |
24 |
1 |
0 |
96% |
| gpaw/new/pw/poisson.py |
ConjugateGradientPoissonSolver.correct_slope |
13 |
13 |
0 |
0% |
| gpaw/new/pw/poisson.py |
dipole_layer |
12 |
0 |
0 |
100% |
| gpaw/new/pw/poisson.py |
xy_average_at_boundary |
11 |
0 |
0 |
100% |
| gpaw/new/pw/poisson.py |
(no function) |
38 |
1 |
0 |
97% |
| gpaw/new/pw/pot_calc.py |
PlaneWavePotentialCalculator.__init__ |
14 |
0 |
0 |
100% |
| gpaw/new/pw/pot_calc.py |
PlaneWavePotentialCalculator.interpolate |
1 |
0 |
0 |
100% |
| gpaw/new/pw/pot_calc.py |
PlaneWavePotentialCalculator.restrict |
1 |
0 |
0 |
100% |
| gpaw/new/pw/pot_calc.py |
PlaneWavePotentialCalculator._interpolate_density |
13 |
1 |
0 |
92% |
| gpaw/new/pw/pot_calc.py |
PlaneWavePotentialCalculator._interpolate_and_calculate_xc |
6 |
1 |
0 |
83% |
| gpaw/new/pw/pot_calc.py |
PlaneWavePotentialCalculator.calculate_non_selfconsistent_exc |
2 |
2 |
0 |
0% |
| gpaw/new/pw/pot_calc.py |
PlaneWavePotentialCalculator.calculate_pseudo_potential |
28 |
2 |
0 |
93% |
| gpaw/new/pw/pot_calc.py |
PlaneWavePotentialCalculator.move |
7 |
0 |
0 |
100% |
| gpaw/new/pw/pot_calc.py |
PlaneWavePotentialCalculator._reset |
3 |
0 |
0 |
100% |
| gpaw/new/pw/pot_calc.py |
PlaneWavePotentialCalculator._force_stress_helper |
12 |
2 |
0 |
83% |
| gpaw/new/pw/pot_calc.py |
PlaneWavePotentialCalculator.force_contributions |
7 |
2 |
0 |
71% |
| gpaw/new/pw/pot_calc.py |
PlaneWavePotentialCalculator.stress |
4 |
1 |
0 |
75% |
| gpaw/new/pw/pot_calc.py |
(no function) |
22 |
0 |
0 |
100% |
| gpaw/new/pw/stress.py |
calculate_stress |
38 |
1 |
0 |
97% |
| gpaw/new/pw/stress.py |
get_wfs_stress |
8 |
0 |
0 |
100% |
| gpaw/new/pw/stress.py |
get_kinetic_stress |
11 |
1 |
0 |
91% |
| gpaw/new/pw/stress.py |
get_paw_stress |
13 |
0 |
0 |
100% |
| gpaw/new/pw/stress.py |
(no function) |
16 |
1 |
0 |
94% |
| gpaw/new/pwfd/builder.py |
PWFDDFTComponentsBuilder.__init__ |
3 |
0 |
0 |
100% |
| gpaw/new/pwfd/builder.py |
PWFDDFTComponentsBuilder.create_eigensolver |
5 |
0 |
0 |
100% |
| gpaw/new/pwfd/builder.py |
PWFDDFTComponentsBuilder.read_ibz_wave_functions |
5 |
0 |
0 |
100% |
| gpaw/new/pwfd/builder.py |
PWFDDFTComponentsBuilder.read_ibz_wave_functions.create_wfs |
3 |
0 |
0 |
100% |
| gpaw/new/pwfd/builder.py |
PWFDDFTComponentsBuilder.create_ibz_wave_functions |
12 |
0 |
0 |
100% |
| gpaw/new/pwfd/builder.py |
PWFDDFTComponentsBuilder.create_ibz_wave_functions.create_wfs |
13 |
1 |
0 |
92% |
| gpaw/new/pwfd/builder.py |
PWFDDFTComponentsBuilder.create_random_ibz_wave_functions |
3 |
0 |
0 |
100% |
| gpaw/new/pwfd/builder.py |
PWFDDFTComponentsBuilder.create_random_ibz_wave_functions.create_wfs |
5 |
0 |
0 |
100% |
| gpaw/new/pwfd/builder.py |
(no function) |
14 |
0 |
0 |
100% |
| gpaw/new/pwfd/davidson.py |
Davidson.__init__ |
5 |
0 |
0 |
100% |
| gpaw/new/pwfd/davidson.py |
Davidson.__str__ |
1 |
0 |
0 |
100% |
| gpaw/new/pwfd/davidson.py |
Davidson._initialize |
16 |
1 |
0 |
94% |
| gpaw/new/pwfd/davidson.py |
Davidson.iterate1 |
83 |
0 |
0 |
100% |
| gpaw/new/pwfd/davidson.py |
Davidson.iterate1.me |
1 |
0 |
0 |
100% |
| gpaw/new/pwfd/davidson.py |
Davidson.iterate1.copy |
5 |
0 |
0 |
100% |
| gpaw/new/pwfd/davidson.py |
sliced_preconditioner |
7 |
0 |
0 |
100% |
| gpaw/new/pwfd/davidson.py |
sliced_matrix_elements |
17 |
1 |
0 |
94% |
| gpaw/new/pwfd/davidson.py |
(no function) |
18 |
0 |
0 |
100% |
| gpaw/new/pwfd/eigensolver.py |
PWFDEigensolver.__init__ |
7 |
0 |
0 |
100% |
| gpaw/new/pwfd/eigensolver.py |
PWFDEigensolver._initialize |
1 |
0 |
0 |
100% |
| gpaw/new/pwfd/eigensolver.py |
PWFDEigensolver._allocate_buffer_arrays |
10 |
1 |
0 |
90% |
| gpaw/new/pwfd/eigensolver.py |
PWFDEigensolver._allocate_work_arrays |
4 |
0 |
0 |
100% |
| gpaw/new/pwfd/eigensolver.py |
PWFDEigensolver.iterate |
19 |
0 |
0 |
100% |
| gpaw/new/pwfd/eigensolver.py |
PWFDEigensolver.iterate1 |
1 |
1 |
0 |
0% |
| gpaw/new/pwfd/eigensolver.py |
calculate_residuals |
16 |
0 |
0 |
100% |
| gpaw/new/pwfd/eigensolver.py |
(no function) |
24 |
0 |
0 |
100% |
| gpaw/new/pwfd/etdm.py |
ETDM.__init__ |
6 |
6 |
0 |
0% |
| gpaw/new/pwfd/etdm.py |
ETDM.new |
1 |
1 |
0 |
0% |
| gpaw/new/pwfd/etdm.py |
ETDM.iterate |
59 |
59 |
0 |
0% |
| gpaw/new/pwfd/etdm.py |
ETDM.postprocess |
44 |
44 |
0 |
0% |
| gpaw/new/pwfd/etdm.py |
apply_non_local_hamiltonian |
7 |
7 |
0 |
0% |
| gpaw/new/pwfd/etdm.py |
project_gradient |
11 |
11 |
0 |
0% |
| gpaw/new/pwfd/etdm.py |
update_density_and_potential |
4 |
4 |
0 |
0% |
| gpaw/new/pwfd/etdm.py |
find_number_of_ocupied_bands |
8 |
8 |
0 |
0% |
| gpaw/new/pwfd/etdm.py |
(no function) |
22 |
0 |
0 |
100% |
| gpaw/new/pwfd/ibzwfs.py |
PWFDIBZWaveFunctions.__init__ |
2 |
0 |
0 |
100% |
| gpaw/new/pwfd/ibzwfs.py |
PWFDIBZWaveFunctions.has_wave_functions |
1 |
0 |
0 |
100% |
| gpaw/new/pwfd/ibzwfs.py |
(no function) |
5 |
0 |
0 |
100% |
| gpaw/new/pwfd/lbfgs.py |
Vector.__init__ |
1 |
1 |
0 |
0% |
| gpaw/new/pwfd/lbfgs.py |
Vector.copy |
1 |
1 |
0 |
0% |
| gpaw/new/pwfd/lbfgs.py |
Vector.__iter__ |
1 |
1 |
0 |
0% |
| gpaw/new/pwfd/lbfgs.py |
Vector.zeros |
6 |
6 |
0 |
0% |
| gpaw/new/pwfd/lbfgs.py |
Vector.__mul__ |
4 |
4 |
0 |
0% |
| gpaw/new/pwfd/lbfgs.py |
Vector.__matmul__ |
5 |
5 |
0 |
0% |
| gpaw/new/pwfd/lbfgs.py |
Vector.__sub__ |
4 |
4 |
0 |
0% |
| gpaw/new/pwfd/lbfgs.py |
LBFGS.__init__ |
12 |
12 |
0 |
0% |
| gpaw/new/pwfd/lbfgs.py |
LBFGS.update |
55 |
55 |
0 |
0% |
| gpaw/new/pwfd/lbfgs.py |
(no function) |
13 |
0 |
0 |
100% |
| gpaw/new/pwfd/move_wfs.py |
move_wave_functions |
17 |
2 |
0 |
88% |
| gpaw/new/pwfd/move_wfs.py |
(no function) |
6 |
0 |
0 |
100% |
| gpaw/new/pwfd/rmmdiis.py |
RMMDIIS.__init__ |
4 |
1 |
0 |
75% |
| gpaw/new/pwfd/rmmdiis.py |
RMMDIIS.__str__ |
1 |
0 |
0 |
100% |
| gpaw/new/pwfd/rmmdiis.py |
RMMDIIS._initialize |
3 |
0 |
0 |
100% |
| gpaw/new/pwfd/rmmdiis.py |
RMMDIIS.iterate1 |
31 |
4 |
0 |
87% |
| gpaw/new/pwfd/rmmdiis.py |
block_step |
20 |
1 |
0 |
95% |
| gpaw/new/pwfd/rmmdiis.py |
(no function) |
14 |
0 |
0 |
100% |
| gpaw/new/pwfd/wave_functions.py |
PWFDWaveFunctions.__init__ |
7 |
0 |
0 |
100% |
| gpaw/new/pwfd/wave_functions.py |
PWFDWaveFunctions.from_wfs |
1 |
0 |
0 |
100% |
| gpaw/new/pwfd/wave_functions.py |
PWFDWaveFunctions.__del__ |
3 |
0 |
0 |
100% |
| gpaw/new/pwfd/wave_functions.py |
PWFDWaveFunctions._short_string |
1 |
0 |
0 |
100% |
| gpaw/new/pwfd/wave_functions.py |
PWFDWaveFunctions.array_shape |
6 |
0 |
0 |
100% |
| gpaw/new/pwfd/wave_functions.py |
PWFDWaveFunctions.pt_aiX |
3 |
0 |
0 |
100% |
| gpaw/new/pwfd/wave_functions.py |
PWFDWaveFunctions.P_ani |
6 |
0 |
0 |
100% |
| gpaw/new/pwfd/wave_functions.py |
PWFDWaveFunctions.move |
6 |
0 |
0 |
100% |
| gpaw/new/pwfd/wave_functions.py |
PWFDWaveFunctions.add_to_density |
19 |
0 |
0 |
100% |
| gpaw/new/pwfd/wave_functions.py |
PWFDWaveFunctions.add_to_ked |
2 |
0 |
0 |
100% |
| gpaw/new/pwfd/wave_functions.py |
PWFDWaveFunctions.orthonormalize |
21 |
1 |
0 |
95% |
| gpaw/new/pwfd/wave_functions.py |
PWFDWaveFunctions.subspace_diagonalize |
23 |
1 |
0 |
96% |
| gpaw/new/pwfd/wave_functions.py |
PWFDWaveFunctions.force_contribution |
18 |
2 |
0 |
89% |
| gpaw/new/pwfd/wave_functions.py |
PWFDWaveFunctions._non_collinear_force_contribution |
14 |
14 |
0 |
0% |
| gpaw/new/pwfd/wave_functions.py |
PWFDWaveFunctions.collect |
40 |
9 |
0 |
78% |
| gpaw/new/pwfd/wave_functions.py |
PWFDWaveFunctions.send |
2 |
2 |
0 |
0% |
| gpaw/new/pwfd/wave_functions.py |
PWFDWaveFunctions.receive |
3 |
3 |
0 |
0% |
| gpaw/new/pwfd/wave_functions.py |
PWFDWaveFunctions.dipole_matrix_elements |
29 |
0 |
0 |
100% |
| gpaw/new/pwfd/wave_functions.py |
PWFDWaveFunctions.gather_wave_function_coefficients |
6 |
1 |
0 |
83% |
| gpaw/new/pwfd/wave_functions.py |
PWFDWaveFunctions.to_uniform_grid_wave_functions |
6 |
1 |
0 |
83% |
| gpaw/new/pwfd/wave_functions.py |
PWFDWaveFunctions.morph |
6 |
0 |
0 |
100% |
| gpaw/new/pwfd/wave_functions.py |
(no function) |
45 |
0 |
0 |
100% |
| gpaw/new/rttddft.py |
TDAlgorithm.kick |
1 |
1 |
0 |
0% |
| gpaw/new/rttddft.py |
TDAlgorithm.propagate |
1 |
1 |
0 |
0% |
| gpaw/new/rttddft.py |
TDAlgorithm.get_description |
1 |
1 |
0 |
0% |
| gpaw/new/rttddft.py |
propagate_wave_functions_numpy |
3 |
3 |
0 |
0% |
| gpaw/new/rttddft.py |
ECNAlgorithm.kick |
8 |
8 |
0 |
0% |
| gpaw/new/rttddft.py |
ECNAlgorithm.propagate |
6 |
6 |
0 |
0% |
| gpaw/new/rttddft.py |
RTTDDFTHistory.__init__ |
3 |
3 |
0 |
0% |
| gpaw/new/rttddft.py |
RTTDDFTHistory.absorption_kick |
3 |
3 |
0 |
0% |
| gpaw/new/rttddft.py |
RTTDDFTHistory.propagate |
3 |
3 |
0 |
0% |
| gpaw/new/rttddft.py |
RTTDDFTHistory.todict |
4 |
4 |
0 |
0% |
| gpaw/new/rttddft.py |
RTTDDFTResult.__repr__ |
4 |
4 |
0 |
0% |
| gpaw/new/rttddft.py |
RTTDDFT.__init__ |
12 |
12 |
0 |
0% |
| gpaw/new/rttddft.py |
RTTDDFT.from_dft_calculation |
9 |
9 |
0 |
0% |
| gpaw/new/rttddft.py |
RTTDDFT.from_dft_file |
6 |
6 |
0 |
0% |
| gpaw/new/rttddft.py |
RTTDDFT.absorption_kick |
11 |
11 |
0 |
0% |
| gpaw/new/rttddft.py |
RTTDDFT.kick |
6 |
6 |
0 |
0% |
| gpaw/new/rttddft.py |
RTTDDFT.ipropagate |
8 |
8 |
0 |
0% |
| gpaw/new/rttddft.py |
RTTDDFT.calculate_dipole_moment |
13 |
13 |
0 |
0% |
| gpaw/new/rttddft.py |
(no function) |
46 |
0 |
0 |
100% |
| gpaw/new/scf.py |
SCFLoop.__init__ |
10 |
0 |
0 |
100% |
| gpaw/new/scf.py |
SCFLoop.__repr__ |
1 |
1 |
0 |
0% |
| gpaw/new/scf.py |
SCFLoop.__str__ |
1 |
0 |
0 |
100% |
| gpaw/new/scf.py |
SCFLoop.iterate |
38 |
3 |
0 |
92% |
| gpaw/new/scf.py |
SCFContext.__init__ |
13 |
0 |
0 |
100% |
| gpaw/new/scf.py |
SCFContext._get_workfunctions |
5 |
5 |
0 |
0% |
| gpaw/new/scf.py |
create_convergence_criteria |
22 |
9 |
0 |
59% |
| gpaw/new/scf.py |
(no function) |
24 |
0 |
0 |
100% |
| gpaw/new/sjm.py |
SJM.__init__ |
5 |
5 |
0 |
0% |
| gpaw/new/sjm.py |
SJM.build |
10 |
10 |
0 |
0% |
| gpaw/new/sjm.py |
SJM.todict |
3 |
3 |
0 |
0% |
| gpaw/new/sjm.py |
SJMEnvironment.__init__ |
5 |
5 |
0 |
0% |
| gpaw/new/sjm.py |
SJMEnvironment.create_poisson_solver |
2 |
2 |
0 |
0% |
| gpaw/new/sjm.py |
SJMEnvironment.post_scf_convergence |
3 |
3 |
0 |
0% |
| gpaw/new/sjm.py |
SJMEnvironment.update1 |
2 |
2 |
0 |
0% |
| gpaw/new/sjm.py |
SJMEnvironment.update1pw |
4 |
4 |
0 |
0% |
| gpaw/new/sjm.py |
SJMEnvironment.update2 |
1 |
1 |
0 |
0% |
| gpaw/new/sjm.py |
SJMPoissonSolver.__init__ |
1 |
1 |
0 |
0% |
| gpaw/new/sjm.py |
SJMPoissonSolver.solve |
12 |
12 |
0 |
0% |
| gpaw/new/sjm.py |
modified_saw_tooth |
4 |
4 |
0 |
0% |
| gpaw/new/sjm.py |
SJMPWPoissonSolver.__init__ |
3 |
0 |
0 |
100% |
| gpaw/new/sjm.py |
SJMPWPoissonSolver.solve |
8 |
0 |
0 |
100% |
| gpaw/new/sjm.py |
saw_tooth_sympy |
6 |
6 |
0 |
0% |
| gpaw/new/sjm.py |
saw_tooth |
19 |
0 |
0 |
100% |
| gpaw/new/sjm.py |
(no function) |
30 |
0 |
0 |
100% |
| gpaw/new/smearing.py |
OccupationNumberCalculator.__init__ |
15 |
4 |
0 |
73% |
| gpaw/new/smearing.py |
OccupationNumberCalculator.__str__ |
1 |
0 |
0 |
100% |
| gpaw/new/smearing.py |
OccupationNumberCalculator._set_nbands |
2 |
2 |
0 |
0% |
| gpaw/new/smearing.py |
OccupationNumberCalculator.calculate |
2 |
0 |
0 |
100% |
| gpaw/new/smearing.py |
OccupationNumberCalculator.initialize_reference_orbitals |
4 |
0 |
0 |
100% |
| gpaw/new/smearing.py |
(no function) |
10 |
0 |
0 |
100% |
| gpaw/new/solvation.py |
Solvation.__init__ |
4 |
4 |
0 |
0% |
| gpaw/new/solvation.py |
Solvation.todict |
1 |
1 |
0 |
0% |
| gpaw/new/solvation.py |
Solvation.build |
1 |
1 |
0 |
0% |
| gpaw/new/solvation.py |
SolvationEnvironment.__init__ |
23 |
23 |
0 |
0% |
| gpaw/new/solvation.py |
SolvationEnvironment.interaction_energy |
1 |
1 |
0 |
0% |
| gpaw/new/solvation.py |
SolvationEnvironment.create_poisson_solver |
4 |
4 |
0 |
0% |
| gpaw/new/solvation.py |
SolvationEnvironment.update1 |
5 |
5 |
0 |
0% |
| gpaw/new/solvation.py |
SolvationEnvironment.update2 |
27 |
27 |
0 |
0% |
| gpaw/new/solvation.py |
SolvationEnvironment.forces |
14 |
14 |
0 |
0% |
| gpaw/new/solvation.py |
add_el_force_correction |
8 |
8 |
0 |
0% |
| gpaw/new/solvation.py |
DensityWrapper.__init__ |
1 |
1 |
0 |
0% |
| gpaw/new/solvation.py |
grad_squared |
6 |
6 |
0 |
0% |
| gpaw/new/solvation.py |
(no function) |
27 |
0 |
0 |
100% |
| gpaw/new/spinspiral.py |
SpiralPWDesc.__init__ |
12 |
12 |
0 |
0% |
| gpaw/new/spinspiral.py |
SpiralPWACF.__init__ |
1 |
1 |
0 |
0% |
| gpaw/new/spinspiral.py |
SpiralPWACF.empty |
1 |
1 |
0 |
0% |
| gpaw/new/spinspiral.py |
SpiralPWACF.integrate |
4 |
4 |
0 |
0% |
| gpaw/new/spinspiral.py |
SpiralPWACF.add_to |
2 |
2 |
0 |
0% |
| gpaw/new/spinspiral.py |
(no function) |
10 |
0 |
0 |
100% |
| gpaw/new/symmetry.py |
create_symmetries_object |
27 |
4 |
0 |
85% |
| gpaw/new/symmetry.py |
Symmetries.__init__ |
18 |
1 |
0 |
94% |
| gpaw/new/symmetry.py |
Symmetries.symmorphic |
1 |
0 |
0 |
100% |
| gpaw/new/symmetry.py |
Symmetries.has_inversion |
5 |
0 |
0 |
100% |
| gpaw/new/symmetry.py |
Symmetries.from_cell |
7 |
1 |
0 |
86% |
| gpaw/new/symmetry.py |
Symmetries.analyze_positions |
1 |
0 |
0 |
100% |
| gpaw/new/symmetry.py |
Symmetries.with_atom_maps |
7 |
7 |
0 |
0% |
| gpaw/new/symmetry.py |
Symmetries.from_atoms |
4 |
4 |
0 |
0% |
| gpaw/new/symmetry.py |
Symmetries.__len__ |
1 |
0 |
0 |
100% |
| gpaw/new/symmetry.py |
Symmetries.__str__ |
13 |
6 |
0 |
54% |
| gpaw/new/symmetry.py |
Symmetries.check_positions |
9 |
2 |
0 |
78% |
| gpaw/new/symmetry.py |
Symmetries.symmetrize_forces |
6 |
0 |
0 |
100% |
| gpaw/new/symmetry.py |
Symmetries.lcm |
1 |
0 |
0 |
100% |
| gpaw/new/symmetry.py |
Symmetries.gcd_c |
1 |
0 |
0 |
100% |
| gpaw/new/symmetry.py |
Symmetries.check_grid |
5 |
1 |
0 |
80% |
| gpaw/new/symmetry.py |
Symmetries.check_one_symmetry |
17 |
0 |
0 |
100% |
| gpaw/new/symmetry.py |
find_lattice_symmetry |
12 |
0 |
0 |
100% |
| gpaw/new/symmetry.py |
prune_symmetries |
35 |
12 |
0 |
66% |
| gpaw/new/symmetry.py |
prune_symmetries.check |
1 |
0 |
0 |
100% |
| gpaw/new/symmetry.py |
SymmetrizationPlan.__init__ |
6 |
0 |
0 |
100% |
| gpaw/new/symmetry.py |
SymmetrizationPlan.rotations |
13 |
0 |
0 |
100% |
| gpaw/new/symmetry.py |
SymmetrizationPlan.apply_distributed |
6 |
0 |
0 |
100% |
| gpaw/new/symmetry.py |
GPUSymmetrizationPlan.__init__ |
42 |
3 |
0 |
93% |
| gpaw/new/symmetry.py |
GPUSymmetrizationPlan.apply |
6 |
0 |
0 |
100% |
| gpaw/new/symmetry.py |
mat |
1 |
0 |
0 |
100% |
| gpaw/new/symmetry.py |
integer_ids |
9 |
0 |
0 |
100% |
| gpaw/new/symmetry.py |
safe_id |
11 |
0 |
0 |
100% |
| gpaw/new/symmetry.py |
(no function) |
49 |
0 |
0 |
100% |
| gpaw/new/tb/builder.py |
TBHamiltonianMatrixCalculator._calculate_potential_matrix |
1 |
0 |
0 |
100% |
| gpaw/new/tb/builder.py |
TBHamiltonian.__init__ |
1 |
0 |
0 |
100% |
| gpaw/new/tb/builder.py |
TBHamiltonian.apply |
1 |
1 |
0 |
0% |
| gpaw/new/tb/builder.py |
TBHamiltonian.create_hamiltonian_matrix_calculator |
4 |
0 |
0 |
100% |
| gpaw/new/tb/builder.py |
NoGrid.__init__ |
4 |
0 |
0 |
100% |
| gpaw/new/tb/builder.py |
NoGrid.empty |
1 |
0 |
0 |
100% |
| gpaw/new/tb/builder.py |
NoGrid.ranks_from_fractional_positions |
1 |
0 |
0 |
100% |
| gpaw/new/tb/builder.py |
DummyFunctions.__init__ |
2 |
0 |
0 |
100% |
| gpaw/new/tb/builder.py |
DummyFunctions.integrate |
3 |
0 |
0 |
100% |
| gpaw/new/tb/builder.py |
DummyFunctions.new |
1 |
1 |
0 |
0% |
| gpaw/new/tb/builder.py |
DummyFunctions.__getitem__ |
4 |
0 |
0 |
100% |
| gpaw/new/tb/builder.py |
DummyFunctions.moment |
1 |
0 |
0 |
100% |
| gpaw/new/tb/builder.py |
DummyFunctions.to_xp |
1 |
0 |
0 |
100% |
| gpaw/new/tb/builder.py |
PSCoreDensities.__init__ |
1 |
0 |
0 |
100% |
| gpaw/new/tb/builder.py |
PSCoreDensities.to_uniform_grid |
1 |
0 |
0 |
100% |
| gpaw/new/tb/builder.py |
TBPotentialCalculator.__init__ |
5 |
0 |
0 |
100% |
| gpaw/new/tb/builder.py |
TBPotentialCalculator.calculate_pseudo_potential |
9 |
0 |
0 |
100% |
| gpaw/new/tb/builder.py |
TBPotentialCalculator._move |
3 |
3 |
0 |
0% |
| gpaw/new/tb/builder.py |
TBPotentialCalculator.force_contributions |
1 |
1 |
0 |
0% |
| gpaw/new/tb/builder.py |
TBPotentialCalculator.stress_contribution |
1 |
1 |
0 |
0% |
| gpaw/new/tb/builder.py |
DummyXC.calculate_paw_correction |
1 |
0 |
0 |
100% |
| gpaw/new/tb/builder.py |
TBSCFLoop.__init__ |
4 |
0 |
0 |
100% |
| gpaw/new/tb/builder.py |
TBSCFLoop.iterate |
4 |
0 |
0 |
100% |
| gpaw/new/tb/builder.py |
DummyBasis.__init__ |
3 |
0 |
0 |
100% |
| gpaw/new/tb/builder.py |
DummyBasis.add_to_density |
1 |
0 |
0 |
100% |
| gpaw/new/tb/builder.py |
DummyBasis.construct_density |
1 |
1 |
0 |
0% |
| gpaw/new/tb/builder.py |
TBDFTComponentsBuilder.check_cell |
1 |
0 |
0 |
100% |
| gpaw/new/tb/builder.py |
TBDFTComponentsBuilder.create_uniform_grids |
2 |
0 |
0 |
100% |
| gpaw/new/tb/builder.py |
TBDFTComponentsBuilder.get_pseudo_core_densities |
1 |
0 |
0 |
100% |
| gpaw/new/tb/builder.py |
TBDFTComponentsBuilder.get_pseudo_core_ked |
1 |
0 |
0 |
100% |
| gpaw/new/tb/builder.py |
TBDFTComponentsBuilder.create_basis_set |
2 |
0 |
0 |
100% |
| gpaw/new/tb/builder.py |
TBDFTComponentsBuilder.create_hamiltonian_operator |
1 |
0 |
0 |
100% |
| gpaw/new/tb/builder.py |
TBDFTComponentsBuilder.create_potential_calculator |
2 |
0 |
0 |
100% |
| gpaw/new/tb/builder.py |
TBDFTComponentsBuilder.create_scf_loop |
4 |
0 |
0 |
100% |
| gpaw/new/tb/builder.py |
TBDFTComponentsBuilder.create_ibz_wave_functions |
33 |
0 |
0 |
100% |
| gpaw/new/tb/builder.py |
pairpot |
24 |
0 |
0 |
100% |
| gpaw/new/tb/builder.py |
calculate_pseudo_potential |
16 |
0 |
0 |
100% |
| gpaw/new/tb/builder.py |
poly |
6 |
6 |
0 |
0% |
| gpaw/new/tb/builder.py |
(no function) |
78 |
1 |
0 |
99% |
| gpaw/new/timer.py |
GlobalTimer.__init__ |
2 |
0 |
0 |
100% |
| gpaw/new/timer.py |
GlobalTimer.context |
6 |
6 |
0 |
0% |
| gpaw/new/timer.py |
GlobalTimer.start |
5 |
5 |
0 |
0% |
| gpaw/new/timer.py |
GlobalTimer.stop |
5 |
5 |
0 |
0% |
| gpaw/new/timer.py |
GlobalTimer.tostring |
3 |
3 |
0 |
0% |
| gpaw/new/timer.py |
_trace |
1 |
1 |
0 |
0% |
| gpaw/new/timer.py |
_trace |
1 |
1 |
0 |
0% |
| gpaw/new/timer.py |
_trace |
4 |
4 |
0 |
0% |
| gpaw/new/timer.py |
_trace.get_wrapper |
6 |
6 |
0 |
0% |
| gpaw/new/timer.py |
_trace.get_wrapper.wrapper |
4 |
4 |
0 |
0% |
| gpaw/new/timer.py |
dummy_trace |
4 |
0 |
0 |
100% |
| gpaw/new/timer.py |
dummy_trace.wrapper |
1 |
0 |
0 |
100% |
| gpaw/new/timer.py |
_tracectx |
4 |
4 |
0 |
0% |
| gpaw/new/timer.py |
dummy_tracectx |
1 |
0 |
0 |
100% |
| gpaw/new/timer.py |
(no function) |
28 |
0 |
0 |
100% |
| gpaw/new/wannier.py |
get_wannier_integrals |
11 |
11 |
0 |
0% |
| gpaw/new/wannier.py |
add_wannier_correction |
8 |
8 |
0 |
0% |
| gpaw/new/wannier.py |
initial_wannier |
9 |
9 |
0 |
0% |
| gpaw/new/wannier.py |
get_projections |
40 |
40 |
0 |
0% |
| gpaw/new/wannier.py |
(no function) |
11 |
0 |
0 |
100% |
| gpaw/new/wave_functions.py |
WaveFunctions.__init__ |
24 |
0 |
0 |
100% |
| gpaw/new/wave_functions.py |
WaveFunctions.__repr__ |
3 |
3 |
0 |
0% |
| gpaw/new/wave_functions.py |
WaveFunctions.array_shape |
1 |
1 |
0 |
0% |
| gpaw/new/wave_functions.py |
WaveFunctions.add_to_density |
1 |
1 |
0 |
0% |
| gpaw/new/wave_functions.py |
WaveFunctions.add_to_ked |
1 |
1 |
0 |
0% |
| gpaw/new/wave_functions.py |
WaveFunctions.orthonormalize |
1 |
1 |
0 |
0% |
| gpaw/new/wave_functions.py |
WaveFunctions.move |
4 |
0 |
0 |
100% |
| gpaw/new/wave_functions.py |
WaveFunctions.collect |
1 |
1 |
0 |
0% |
| gpaw/new/wave_functions.py |
WaveFunctions.has_eigs |
1 |
0 |
0 |
100% |
| gpaw/new/wave_functions.py |
WaveFunctions.has_occs |
1 |
0 |
0 |
100% |
| gpaw/new/wave_functions.py |
WaveFunctions.eig_n |
3 |
1 |
0 |
67% |
| gpaw/new/wave_functions.py |
WaveFunctions.occ_n |
3 |
0 |
0 |
100% |
| gpaw/new/wave_functions.py |
WaveFunctions.myeig_n |
1 |
0 |
0 |
100% |
| gpaw/new/wave_functions.py |
WaveFunctions.myocc_n |
1 |
0 |
0 |
100% |
| gpaw/new/wave_functions.py |
WaveFunctions.P_ani |
3 |
3 |
0 |
0% |
| gpaw/new/wave_functions.py |
WaveFunctions.add_to_atomic_density_matrices |
8 |
0 |
0 |
100% |
| gpaw/new/wave_functions.py |
WaveFunctions.send |
1 |
1 |
0 |
0% |
| gpaw/new/wave_functions.py |
WaveFunctions.receive |
1 |
1 |
0 |
0% |
| gpaw/new/wave_functions.py |
WaveFunctions.force_contribution |
1 |
1 |
0 |
0% |
| gpaw/new/wave_functions.py |
WaveFunctions.gather_wave_function_coefficients |
1 |
1 |
0 |
0% |
| gpaw/new/wave_functions.py |
add_to_4component_density_matrix |
5 |
0 |
0 |
100% |
| gpaw/new/wave_functions.py |
(no function) |
42 |
0 |
0 |
100% |
| gpaw/new/xc.py |
create_functional |
22 |
3 |
0 |
86% |
| gpaw/new/xc.py |
Functional.__init__ |
12 |
0 |
0 |
100% |
| gpaw/new/xc.py |
Functional.__str__ |
1 |
0 |
0 |
100% |
| gpaw/new/xc.py |
Functional.calculate |
1 |
1 |
0 |
0% |
| gpaw/new/xc.py |
Functional.calculate_paw_correction |
1 |
0 |
0 |
100% |
| gpaw/new/xc.py |
Functional.get_setup_name |
1 |
1 |
0 |
0% |
| gpaw/new/xc.py |
Functional.stress_contribution |
19 |
7 |
0 |
63% |
| gpaw/new/xc.py |
Functional._args |
1 |
1 |
0 |
0% |
| gpaw/new/xc.py |
Functional._stress |
1 |
1 |
0 |
0% |
| gpaw/new/xc.py |
LDAFunctional.calculate |
10 |
1 |
0 |
90% |
| gpaw/new/xc.py |
LDAFunctional._args |
7 |
1 |
0 |
86% |
| gpaw/new/xc.py |
LDAFunctional._stress |
4 |
0 |
0 |
100% |
| gpaw/new/xc.py |
GGAFunctional.__init__ |
2 |
0 |
0 |
100% |
| gpaw/new/xc.py |
GGAFunctional._evaluate_xc_cpu |
13 |
11 |
0 |
15% |
| gpaw/new/xc.py |
GGAFunctional.calculate |
13 |
1 |
0 |
92% |
| gpaw/new/xc.py |
GGAFunctional._args |
8 |
0 |
0 |
100% |
| gpaw/new/xc.py |
GGAFunctional._stress |
13 |
0 |
0 |
100% |
| gpaw/new/xc.py |
gradient_and_sigma |
12 |
0 |
0 |
100% |
| gpaw/new/xc.py |
dot_product |
8 |
0 |
0 |
100% |
| gpaw/new/xc.py |
MGGAFunctional.get_setup_name |
1 |
1 |
0 |
0% |
| gpaw/new/xc.py |
MGGAFunctional.calculate |
16 |
16 |
0 |
0% |
| gpaw/new/xc.py |
MGGAFunctional._args |
13 |
13 |
0 |
0% |
| gpaw/new/xc.py |
MGGAFunctional._stress |
16 |
16 |
0 |
0% |
| gpaw/new/xc.py |
_taut |
44 |
44 |
0 |
0% |
| gpaw/new/xc.py |
(no function) |
45 |
0 |
0 |
100% |
| gpaw/nlopt/adapters.py |
GSInfo.__init__ |
14 |
2 |
0 |
86% |
| gpaw/nlopt/adapters.py |
GSInfo.get_plane_wave_coefficients |
3 |
0 |
0 |
100% |
| gpaw/nlopt/adapters.py |
GSInfo.get_wave_function_projections |
1 |
0 |
0 |
100% |
| gpaw/nlopt/adapters.py |
GSInfo.get_wfs |
1 |
1 |
0 |
0% |
| gpaw/nlopt/adapters.py |
GSInfo._pw_data |
1 |
1 |
0 |
0% |
| gpaw/nlopt/adapters.py |
GSInfo._proj_data |
1 |
1 |
0 |
0% |
| gpaw/nlopt/adapters.py |
CollinearGSInfo.__init__ |
2 |
0 |
0 |
100% |
| gpaw/nlopt/adapters.py |
CollinearGSInfo.get_wfs |
1 |
0 |
0 |
100% |
| gpaw/nlopt/adapters.py |
CollinearGSInfo._pw_data |
1 |
0 |
0 |
100% |
| gpaw/nlopt/adapters.py |
CollinearGSInfo._proj_data |
1 |
0 |
0 |
100% |
| gpaw/nlopt/adapters.py |
NoncollinearGSInfo.__init__ |
2 |
0 |
0 |
100% |
| gpaw/nlopt/adapters.py |
NoncollinearGSInfo.get_wfs |
1 |
0 |
0 |
100% |
| gpaw/nlopt/adapters.py |
NoncollinearGSInfo._pw_data |
1 |
0 |
0 |
100% |
| gpaw/nlopt/adapters.py |
NoncollinearGSInfo._proj_data |
1 |
0 |
0 |
100% |
| gpaw/nlopt/adapters.py |
(no function) |
33 |
5 |
0 |
85% |
| gpaw/nlopt/basic.py |
NLOData.write |
3 |
0 |
0 |
100% |
| gpaw/nlopt/basic.py |
NLOData.load |
5 |
1 |
0 |
80% |
| gpaw/nlopt/basic.py |
NLOData.distribute |
37 |
13 |
0 |
65% |
| gpaw/nlopt/basic.py |
(no function) |
14 |
0 |
0 |
100% |
| gpaw/nlopt/linear.py |
get_chi_tensor |
28 |
0 |
0 |
100% |
| gpaw/nlopt/linear.py |
calc_chi |
14 |
1 |
0 |
93% |
| gpaw/nlopt/linear.py |
(no function) |
5 |
0 |
0 |
100% |
| gpaw/nlopt/matrixel.py |
get_mml |
27 |
1 |
0 |
96% |
| gpaw/nlopt/matrixel.py |
gather_to_master |
18 |
7 |
0 |
61% |
| gpaw/nlopt/matrixel.py |
make_nlodata |
47 |
7 |
0 |
85% |
| gpaw/nlopt/matrixel.py |
get_rml |
12 |
0 |
0 |
100% |
| gpaw/nlopt/matrixel.py |
get_derivative |
11 |
0 |
0 |
100% |
| gpaw/nlopt/matrixel.py |
(no function) |
17 |
2 |
0 |
88% |
| gpaw/nlopt/shg.py |
get_shg |
58 |
4 |
0 |
93% |
| gpaw/nlopt/shg.py |
shg_velocity_gauge |
27 |
27 |
0 |
0% |
| gpaw/nlopt/shg.py |
shg_length_gauge |
34 |
2 |
0 |
94% |
| gpaw/nlopt/shg.py |
make_output |
10 |
4 |
0 |
60% |
| gpaw/nlopt/shg.py |
(no function) |
11 |
0 |
0 |
100% |
| gpaw/nlopt/shift.py |
get_shift |
46 |
0 |
0 |
100% |
| gpaw/nlopt/shift.py |
shift_current |
14 |
1 |
0 |
93% |
| gpaw/nlopt/shift.py |
(no function) |
9 |
0 |
0 |
100% |
| gpaw/occupations.py |
fermi_dirac |
11 |
0 |
0 |
100% |
| gpaw/occupations.py |
marzari_vanderbilt |
7 |
0 |
0 |
100% |
| gpaw/occupations.py |
methfessel_paxton |
11 |
0 |
0 |
100% |
| gpaw/occupations.py |
coff_function |
1 |
0 |
0 |
100% |
| gpaw/occupations.py |
hermite_poly |
5 |
0 |
0 |
100% |
| gpaw/occupations.py |
OccupationNumberCalculator.__init__ |
5 |
0 |
0 |
100% |
| gpaw/occupations.py |
OccupationNumberCalculator.parallel_layout |
1 |
0 |
0 |
100% |
| gpaw/occupations.py |
OccupationNumberCalculator.todict |
1 |
0 |
0 |
100% |
| gpaw/occupations.py |
OccupationNumberCalculator.copy |
1 |
0 |
0 |
100% |
| gpaw/occupations.py |
OccupationNumberCalculator.calculate |
12 |
0 |
0 |
100% |
| gpaw/occupations.py |
OccupationNumberCalculator._calculate |
1 |
1 |
0 |
0% |
| gpaw/occupations.py |
FixMagneticMomentOccupationNumberCalculator.__init__ |
3 |
0 |
0 |
100% |
| gpaw/occupations.py |
FixMagneticMomentOccupationNumberCalculator.__str__ |
1 |
0 |
0 |
100% |
| gpaw/occupations.py |
FixMagneticMomentOccupationNumberCalculator.todict |
3 |
3 |
0 |
0% |
| gpaw/occupations.py |
FixMagneticMomentOccupationNumberCalculator.calculate |
9 |
0 |
0 |
100% |
| gpaw/occupations.py |
SmoothDistribution.__init__ |
2 |
0 |
0 |
100% |
| gpaw/occupations.py |
SmoothDistribution.todict |
1 |
0 |
0 |
100% |
| gpaw/occupations.py |
SmoothDistribution._calculate |
14 |
0 |
0 |
100% |
| gpaw/occupations.py |
SmoothDistribution._calculate.func |
9 |
0 |
0 |
100% |
| gpaw/occupations.py |
FermiDiracCalculator.distribution |
1 |
0 |
0 |
100% |
| gpaw/occupations.py |
FermiDiracCalculator.__str__ |
1 |
0 |
0 |
100% |
| gpaw/occupations.py |
MarzariVanderbiltCalculator.distribution |
1 |
1 |
0 |
0% |
| gpaw/occupations.py |
MarzariVanderbiltCalculator.__str__ |
1 |
1 |
0 |
0% |
| gpaw/occupations.py |
MethfesselPaxtonCalculator.__init__ |
3 |
0 |
0 |
100% |
| gpaw/occupations.py |
MethfesselPaxtonCalculator.todict |
3 |
3 |
0 |
0% |
| gpaw/occupations.py |
MethfesselPaxtonCalculator.__str__ |
1 |
0 |
0 |
100% |
| gpaw/occupations.py |
MethfesselPaxtonCalculator.distribution |
1 |
0 |
0 |
100% |
| gpaw/occupations.py |
findroot |
43 |
0 |
0 |
100% |
| gpaw/occupations.py |
collect_eigelvalues |
27 |
3 |
0 |
89% |
| gpaw/occupations.py |
distribute_occupation_numbers |
19 |
11 |
0 |
42% |
| gpaw/occupations.py |
ZeroWidth.todict |
1 |
0 |
0 |
100% |
| gpaw/occupations.py |
ZeroWidth.__str__ |
1 |
0 |
0 |
100% |
| gpaw/occupations.py |
ZeroWidth.distribution |
4 |
4 |
0 |
0% |
| gpaw/occupations.py |
ZeroWidth._calculate |
39 |
2 |
0 |
95% |
| gpaw/occupations.py |
FixedOccupationNumbers.__init__ |
2 |
0 |
0 |
100% |
| gpaw/occupations.py |
FixedOccupationNumbers._calculate |
2 |
0 |
0 |
100% |
| gpaw/occupations.py |
FixedOccupationNumbers.todict |
1 |
1 |
0 |
0% |
| gpaw/occupations.py |
FixedOccupationNumbersUniform.__init__ |
12 |
0 |
0 |
100% |
| gpaw/occupations.py |
FixedOccupationNumbersUniform.__init__.get_f |
6 |
0 |
0 |
100% |
| gpaw/occupations.py |
FixedOccupationNumbersUniform._calculate |
23 |
1 |
0 |
96% |
| gpaw/occupations.py |
FixedOccupationNumbersUniform._calculate.get_homo |
2 |
0 |
0 |
100% |
| gpaw/occupations.py |
FixedOccupationNumbersUniform._calculate.get_lumo |
2 |
0 |
0 |
100% |
| gpaw/occupations.py |
FixedOccupationNumbersUniform.todict |
1 |
1 |
0 |
0% |
| gpaw/occupations.py |
FixedOccupationNumbersUniform.__str__ |
1 |
0 |
0 |
100% |
| gpaw/occupations.py |
calc_fixed |
5 |
1 |
0 |
80% |
| gpaw/occupations.py |
FixedOccupations |
4 |
4 |
0 |
0% |
| gpaw/occupations.py |
ThomasFermiOccupations._calculate |
3 |
0 |
0 |
100% |
| gpaw/occupations.py |
create_occ_calc |
28 |
3 |
0 |
89% |
| gpaw/occupations.py |
occupation_numbers |
12 |
12 |
0 |
0% |
| gpaw/occupations.py |
FermiDirac |
1 |
0 |
0 |
100% |
| gpaw/occupations.py |
MarzariVanderbilt |
1 |
1 |
0 |
0% |
| gpaw/occupations.py |
MethfesselPaxton |
1 |
0 |
0 |
100% |
| gpaw/occupations.py |
(no function) |
88 |
0 |
0 |
100% |
| gpaw/output.py |
print_cell |
10 |
0 |
0 |
100% |
| gpaw/output.py |
print_positions |
8 |
0 |
0 |
100% |
| gpaw/output.py |
print_parallelization_details |
23 |
10 |
0 |
57% |
| gpaw/output.py |
plot |
50 |
0 |
0 |
100% |
| gpaw/output.py |
Grid.__init__ |
4 |
0 |
0 |
100% |
| gpaw/output.py |
Grid.put |
3 |
0 |
0 |
100% |
| gpaw/output.py |
(no function) |
13 |
0 |
0 |
100% |
| gpaw/overlap.py |
OverlapCorrections.__init__ |
1 |
0 |
0 |
100% |
| gpaw/overlap.py |
OverlapCorrections.apply |
6 |
0 |
0 |
100% |
| gpaw/overlap.py |
Overlap.__init__ |
1 |
0 |
0 |
100% |
| gpaw/overlap.py |
Overlap.apply |
10 |
0 |
0 |
100% |
| gpaw/overlap.py |
Overlap.apply_inverse |
10 |
2 |
0 |
80% |
| gpaw/overlap.py |
(no function) |
8 |
0 |
0 |
100% |
| gpaw/pair_density.py |
PairDensity2.__init__ |
5 |
5 |
0 |
0% |
| gpaw/pair_density.py |
PairDensity2.initialize |
6 |
6 |
0 |
0% |
| gpaw/pair_density.py |
PairDensity2.get_coarse |
1 |
1 |
0 |
0% |
| gpaw/pair_density.py |
PairDensity2.add_compensation_charges |
14 |
14 |
0 |
0% |
| gpaw/pair_density.py |
PairDensity.__init__ |
1 |
0 |
0 |
100% |
| gpaw/pair_density.py |
PairDensity.set_paw |
11 |
0 |
0 |
100% |
| gpaw/pair_density.py |
PairDensity.initialize |
13 |
0 |
0 |
100% |
| gpaw/pair_density.py |
PairDensity.get_lcao |
8 |
0 |
0 |
100% |
| gpaw/pair_density.py |
PairDensity.get |
8 |
0 |
0 |
100% |
| gpaw/pair_density.py |
PairDensity.with_compensation_charges |
15 |
0 |
0 |
100% |
| gpaw/pair_density.py |
PairDensity.with_ae_corrections |
52 |
52 |
0 |
0% |
| gpaw/pair_density.py |
(no function) |
18 |
0 |
0 |
100% |
| gpaw/pair_overlap.py |
mpi_debug |
1 |
1 |
0 |
0% |
| gpaw/pair_overlap.py |
PairOverlap.__init__ |
3 |
3 |
0 |
0% |
| gpaw/pair_overlap.py |
PairOverlap.__len__ |
1 |
1 |
0 |
0% |
| gpaw/pair_overlap.py |
PairOverlap.assign_atomic_pair_matrix |
1 |
1 |
0 |
0% |
| gpaw/pair_overlap.py |
PairOverlap.extract_atomic_pair_matrix |
1 |
1 |
0 |
0% |
| gpaw/pair_overlap.py |
PairOverlap.calculate_overlaps |
1 |
1 |
0 |
0% |
| gpaw/pair_overlap.py |
PairOverlap.calculate_atomic_pair_overlaps |
1 |
1 |
0 |
0% |
| gpaw/pair_overlap.py |
GridPairOverlap.calculate_overlaps |
57 |
57 |
0 |
0% |
| gpaw/pair_overlap.py |
GridPairOverlap.calculate_overlaps2 |
57 |
57 |
0 |
0% |
| gpaw/pair_overlap.py |
ProjectorPairOverlap.__init__ |
6 |
6 |
0 |
0% |
| gpaw/pair_overlap.py |
ProjectorPairOverlap.update |
13 |
13 |
0 |
0% |
| gpaw/pair_overlap.py |
ProjectorPairOverlap.get_rotated_coefficients |
1 |
1 |
0 |
0% |
| gpaw/pair_overlap.py |
ProjectorPairOverlap.apply_to_atomic_matrices |
20 |
20 |
0 |
0% |
| gpaw/pair_overlap.py |
ProjectorPairOverlap.apply |
25 |
25 |
0 |
0% |
| gpaw/pair_overlap.py |
ProjectorPairOverlap.apply_inverse |
31 |
31 |
0 |
0% |
| gpaw/pair_overlap.py |
(no function) |
24 |
0 |
0 |
100% |
| gpaw/pes/__init__.py |
PESpectrum.__init__ |
10 |
0 |
0 |
100% |
| gpaw/pes/__init__.py |
BasePES.save_folded_pes |
4 |
0 |
0 |
100% |
| gpaw/pes/__init__.py |
BasePES.get_energies_and_weights |
3 |
0 |
0 |
100% |
| gpaw/pes/__init__.py |
BasePES.set_first_peak_energy |
1 |
1 |
0 |
0% |
| gpaw/pes/__init__.py |
(no function) |
10 |
0 |
0 |
100% |
| gpaw/pes/continuum.py |
PlaneWave.get_grid |
21 |
11 |
0 |
48% |
| gpaw/pes/continuum.py |
ZerothOrder1.__init__ |
9 |
9 |
0 |
0% |
| gpaw/pes/continuum.py |
ZerothOrder1.get_grid |
14 |
14 |
0 |
0% |
| gpaw/pes/continuum.py |
ZerothOrder1.solve |
8 |
8 |
0 |
0% |
| gpaw/pes/continuum.py |
(no function) |
13 |
0 |
0 |
100% |
| gpaw/pes/dos.py |
DOSPES.__init__ |
7 |
0 |
0 |
100% |
| gpaw/pes/dos.py |
DOSPES._calculate |
26 |
3 |
0 |
88% |
| gpaw/pes/dos.py |
(no function) |
5 |
0 |
0 |
100% |
| gpaw/pes/ds_beta.py |
CrossSectionBeta.__init__ |
14 |
1 |
0 |
93% |
| gpaw/pes/ds_beta.py |
CrossSectionBeta.calculate |
10 |
0 |
0 |
100% |
| gpaw/pes/ds_beta.py |
CrossSectionBeta.get_omega |
1 |
0 |
0 |
100% |
| gpaw/pes/ds_beta.py |
CrossSectionBeta.get_beta |
3 |
0 |
0 |
100% |
| gpaw/pes/ds_beta.py |
CrossSectionBeta.get_ds |
10 |
3 |
0 |
70% |
| gpaw/pes/ds_beta.py |
CrossSectionBeta.gauss_integrate |
9 |
0 |
0 |
100% |
| gpaw/pes/ds_beta.py |
CrossSectionBeta.gi_x |
1 |
0 |
0 |
100% |
| gpaw/pes/ds_beta.py |
CrossSectionBeta.gi_phi |
1 |
0 |
0 |
100% |
| gpaw/pes/ds_beta.py |
CrossSectionBeta.gi_psi |
1 |
0 |
0 |
100% |
| gpaw/pes/ds_beta.py |
CrossSectionBeta.integrand |
40 |
2 |
0 |
95% |
| gpaw/pes/ds_beta.py |
CrossSectionBeta.integrand.ds |
1 |
1 |
0 |
0% |
| gpaw/pes/ds_beta.py |
(no function) |
19 |
0 |
0 |
100% |
| gpaw/pes/state.py |
State.__init__ |
5 |
0 |
0 |
100% |
| gpaw/pes/state.py |
State.get_grid |
1 |
0 |
0 |
100% |
| gpaw/pes/state.py |
State.set_grid |
1 |
1 |
0 |
0% |
| gpaw/pes/state.py |
State.get_energy |
1 |
0 |
0 |
100% |
| gpaw/pes/state.py |
State.set_energy |
1 |
0 |
0 |
100% |
| gpaw/pes/state.py |
BoundState.__init__ |
4 |
0 |
0 |
100% |
| gpaw/pes/state.py |
H1s.__init__ |
8 |
1 |
0 |
88% |
| gpaw/pes/state.py |
H1s.get_grid |
16 |
0 |
0 |
100% |
| gpaw/pes/state.py |
H1s.get_me_c |
7 |
1 |
0 |
86% |
| gpaw/pes/state.py |
H1s.get_ds |
8 |
0 |
0 |
100% |
| gpaw/pes/state.py |
H1s.FT |
1 |
0 |
0 |
100% |
| gpaw/pes/state.py |
(no function) |
18 |
0 |
0 |
100% |
| gpaw/pes/tddft.py |
TDDFTPES.__init__ |
32 |
5 |
0 |
84% |
| gpaw/pes/tddft.py |
TDDFTPES.__init__.gs_orbitals |
11 |
1 |
0 |
91% |
| gpaw/pes/tddft.py |
TDDFTPES._calculate |
4 |
0 |
0 |
100% |
| gpaw/pes/tddft.py |
TDDFTPES.ks_overlaps |
16 |
0 |
0 |
100% |
| gpaw/pes/tddft.py |
TDDFTPES.single_overlaps |
18 |
0 |
0 |
100% |
| gpaw/pes/tddft.py |
TDDFTPES.gs_gs_overlaps |
11 |
0 |
0 |
100% |
| gpaw/pes/tddft.py |
TDDFTPES.full_overlap_matrix |
8 |
0 |
0 |
100% |
| gpaw/pes/tddft.py |
TDDFTPES._create_f |
5 |
1 |
0 |
80% |
| gpaw/pes/tddft.py |
TDDFTPES._nuc_corr |
13 |
0 |
0 |
100% |
| gpaw/pes/tddft.py |
TDDFTPES.check_systems |
12 |
6 |
0 |
50% |
| gpaw/pes/tddft.py |
TDDFTPES.Dyson_orbital |
18 |
18 |
0 |
0% |
| gpaw/pes/tddft.py |
(no function) |
17 |
0 |
0 |
100% |
| gpaw/pipekmezey/pipek_mezey_wannier.py |
random_orthogonal |
4 |
0 |
0 |
100% |
| gpaw/pipekmezey/pipek_mezey_wannier.py |
PipekMezey.__init__ |
86 |
5 |
0 |
94% |
| gpaw/pipekmezey/pipek_mezey_wannier.py |
PipekMezey.step |
11 |
0 |
0 |
100% |
| gpaw/pipekmezey/pipek_mezey_wannier.py |
PipekMezey.get_weight_function_atom |
6 |
1 |
0 |
83% |
| gpaw/pipekmezey/pipek_mezey_wannier.py |
PipekMezey.localize |
1 |
0 |
0 |
100% |
| gpaw/pipekmezey/pipek_mezey_wannier.py |
PipekMezey.update |
6 |
0 |
0 |
100% |
| gpaw/pipekmezey/pipek_mezey_wannier.py |
PipekMezey.update_matrices |
5 |
5 |
0 |
0% |
| gpaw/pipekmezey/pipek_mezey_wannier.py |
PipekMezey.get_function_value |
10 |
0 |
0 |
100% |
| gpaw/pipekmezey/pipek_mezey_wannier.py |
PipekMezey.get_gradients |
14 |
0 |
0 |
100% |
| gpaw/pipekmezey/pipek_mezey_wannier.py |
(no function) |
19 |
0 |
0 |
100% |
| gpaw/pipekmezey/wannier_basic.py |
random_orthogonal_matrix |
8 |
8 |
0 |
0% |
| gpaw/pipekmezey/wannier_basic.py |
md_min |
23 |
3 |
0 |
87% |
| gpaw/pipekmezey/wannier_basic.py |
get_atoms_object_from_wfs |
12 |
12 |
0 |
0% |
| gpaw/pipekmezey/wannier_basic.py |
WannierLocalization.__init__ |
64 |
64 |
0 |
0% |
| gpaw/pipekmezey/wannier_basic.py |
WannierLocalization.initialize |
7 |
7 |
0 |
0% |
| gpaw/pipekmezey/wannier_basic.py |
WannierLocalization.update |
5 |
5 |
0 |
0% |
| gpaw/pipekmezey/wannier_basic.py |
WannierLocalization.get_centers |
4 |
4 |
0 |
0% |
| gpaw/pipekmezey/wannier_basic.py |
WannierLocalization.localize |
1 |
1 |
0 |
0% |
| gpaw/pipekmezey/wannier_basic.py |
WannierLocalization.get_function_value |
2 |
2 |
0 |
0% |
| gpaw/pipekmezey/wannier_basic.py |
WannierLocalization.get_gradients |
15 |
15 |
0 |
0% |
| gpaw/pipekmezey/wannier_basic.py |
WannierLocalization.step |
12 |
12 |
0 |
0% |
| gpaw/pipekmezey/wannier_basic.py |
(no function) |
20 |
0 |
0 |
100% |
| gpaw/pipekmezey/weightfunction.py |
WeightFunc.__init__ |
16 |
2 |
0 |
88% |
| gpaw/pipekmezey/weightfunction.py |
WeightFunc.truncated_gaussian |
3 |
0 |
0 |
100% |
| gpaw/pipekmezey/weightfunction.py |
WeightFunc.get_distance_vectors |
6 |
0 |
0 |
100% |
| gpaw/pipekmezey/weightfunction.py |
WeightFunc.construct_total_density |
8 |
0 |
0 |
100% |
| gpaw/pipekmezey/weightfunction.py |
WeightFunc.construct_weight_function |
5 |
0 |
0 |
100% |
| gpaw/pipekmezey/weightfunction.py |
WignerSeitz.__init__ |
3 |
0 |
0 |
100% |
| gpaw/pipekmezey/weightfunction.py |
WignerSeitz.get_distance_vectors |
6 |
0 |
0 |
100% |
| gpaw/pipekmezey/weightfunction.py |
WignerSeitz.construct_weight_function |
16 |
0 |
0 |
100% |
| gpaw/pipekmezey/weightfunction.py |
(no function) |
15 |
0 |
0 |
100% |
| gpaw/point_groups/__init__.py |
(no function) |
4 |
0 |
0 |
100% |
| gpaw/point_groups/__main__.py |
(no function) |
3 |
3 |
0 |
0% |
| gpaw/point_groups/check.py |
SymmetryChecker.__init__ |
8 |
0 |
0 |
100% |
| gpaw/point_groups/check.py |
SymmetryChecker.check_atoms |
13 |
1 |
0 |
92% |
| gpaw/point_groups/check.py |
SymmetryChecker.check_function |
23 |
1 |
0 |
96% |
| gpaw/point_groups/check.py |
SymmetryChecker.check_band |
3 |
0 |
0 |
100% |
| gpaw/point_groups/check.py |
SymmetryChecker.check_calculation |
13 |
1 |
0 |
92% |
| gpaw/point_groups/check.py |
sphere |
5 |
0 |
0 |
100% |
| gpaw/point_groups/check.py |
rotation_matrix |
11 |
0 |
0 |
100% |
| gpaw/point_groups/check.py |
normalize |
5 |
1 |
0 |
80% |
| gpaw/point_groups/check.py |
(no function) |
18 |
0 |
0 |
100% |
| gpaw/point_groups/cli.py |
CubeCalc.__init__ |
2 |
0 |
0 |
100% |
| gpaw/point_groups/cli.py |
CubeCalc.get_pseudo_wave_function |
1 |
0 |
0 |
100% |
| gpaw/point_groups/cli.py |
CubeCalc.get_eigenvalues |
1 |
0 |
0 |
100% |
| gpaw/point_groups/cli.py |
CubeCalc.get_number_of_spins |
1 |
0 |
0 |
100% |
| gpaw/point_groups/cli.py |
main |
51 |
9 |
0 |
82% |
| gpaw/point_groups/cli.py |
(no function) |
13 |
0 |
0 |
100% |
| gpaw/point_groups/group.py |
PointGroup.__init__ |
14 |
0 |
0 |
100% |
| gpaw/point_groups/group.py |
PointGroup.__str__ |
4 |
0 |
0 |
100% |
| gpaw/point_groups/group.py |
PointGroup.get_normalized_table |
1 |
0 |
0 |
100% |
| gpaw/point_groups/group.py |
(no function) |
7 |
0 |
0 |
100% |
| gpaw/point_groups/groups.py |
rotation |
5 |
2 |
0 |
60% |
| gpaw/point_groups/groups.py |
Pointgroup.unit |
1 |
0 |
0 |
100% |
| gpaw/point_groups/groups.py |
Pointgroup.rotate_mainaxis |
1 |
0 |
0 |
100% |
| gpaw/point_groups/groups.py |
Pointgroup.rotate |
3 |
0 |
0 |
100% |
| gpaw/point_groups/groups.py |
Pointgroup.C2prime |
3 |
0 |
0 |
100% |
| gpaw/point_groups/groups.py |
Pointgroup.S |
2 |
0 |
0 |
100% |
| gpaw/point_groups/groups.py |
Pointgroup.invert |
1 |
0 |
0 |
100% |
| gpaw/point_groups/groups.py |
Pointgroup.mirror_xy |
1 |
0 |
0 |
100% |
| gpaw/point_groups/groups.py |
Pointgroup.mirror_xz |
1 |
0 |
0 |
100% |
| gpaw/point_groups/groups.py |
Pointgroup.mirror_yz |
1 |
0 |
0 |
100% |
| gpaw/point_groups/groups.py |
D5.__init__ |
8 |
0 |
0 |
100% |
| gpaw/point_groups/groups.py |
D5.__str__ |
1 |
1 |
0 |
0% |
| gpaw/point_groups/groups.py |
D5.C2 |
5 |
1 |
0 |
80% |
| gpaw/point_groups/groups.py |
D5.C2.do_it |
1 |
0 |
0 |
100% |
| gpaw/point_groups/groups.py |
D5h.__init__ |
8 |
0 |
0 |
100% |
| gpaw/point_groups/groups.py |
D5h.__str__ |
1 |
1 |
0 |
0% |
| gpaw/point_groups/groups.py |
D5h.C2 |
5 |
1 |
0 |
80% |
| gpaw/point_groups/groups.py |
D5h.C2.do_it |
1 |
0 |
0 |
100% |
| gpaw/point_groups/groups.py |
D5h.sigma_h |
1 |
0 |
0 |
100% |
| gpaw/point_groups/groups.py |
D5h.S5 |
5 |
1 |
0 |
80% |
| gpaw/point_groups/groups.py |
D5h.S5.do_it |
1 |
0 |
0 |
100% |
| gpaw/point_groups/groups.py |
D5h.S53 |
5 |
1 |
0 |
80% |
| gpaw/point_groups/groups.py |
D5h.S53.do_it |
4 |
0 |
0 |
100% |
| gpaw/point_groups/groups.py |
D5h.sigma_v |
5 |
1 |
0 |
80% |
| gpaw/point_groups/groups.py |
D5h.sigma_v.do_it |
4 |
0 |
0 |
100% |
| gpaw/point_groups/groups.py |
Ih.__init__ |
20 |
0 |
0 |
100% |
| gpaw/point_groups/groups.py |
Ih.__str__ |
1 |
1 |
0 |
0% |
| gpaw/point_groups/groups.py |
Ih.rotate_othermainaxis |
6 |
1 |
0 |
83% |
| gpaw/point_groups/groups.py |
Ih.rotate_othermainaxis.do_it |
6 |
0 |
0 |
100% |
| gpaw/point_groups/groups.py |
Ih.rotate_C3 |
11 |
1 |
0 |
91% |
| gpaw/point_groups/groups.py |
Ih.rotate_C3.do_it |
6 |
0 |
0 |
100% |
| gpaw/point_groups/groups.py |
Ih.C2 |
17 |
1 |
0 |
94% |
| gpaw/point_groups/groups.py |
Ih.C2.do_it |
6 |
0 |
0 |
100% |
| gpaw/point_groups/groups.py |
Ih.inversion |
1 |
0 |
0 |
100% |
| gpaw/point_groups/groups.py |
Ih.S10 |
5 |
1 |
0 |
80% |
| gpaw/point_groups/groups.py |
Ih.S10.do_it |
1 |
0 |
0 |
100% |
| gpaw/point_groups/groups.py |
Ih.S10_othercap |
6 |
1 |
0 |
83% |
| gpaw/point_groups/groups.py |
Ih.S10_othercap.do_it |
6 |
0 |
0 |
100% |
| gpaw/point_groups/groups.py |
Ih.S10_3 |
5 |
1 |
0 |
80% |
| gpaw/point_groups/groups.py |
Ih.S10_3.do_it |
4 |
0 |
0 |
100% |
| gpaw/point_groups/groups.py |
Ih.S10_3_othercap |
6 |
1 |
0 |
83% |
| gpaw/point_groups/groups.py |
Ih.S10_3_othercap.do_it |
8 |
0 |
0 |
100% |
| gpaw/point_groups/groups.py |
Ih.S6 |
11 |
1 |
0 |
91% |
| gpaw/point_groups/groups.py |
Ih.S6.do_it |
6 |
0 |
0 |
100% |
| gpaw/point_groups/groups.py |
Ih.sigma |
19 |
1 |
0 |
95% |
| gpaw/point_groups/groups.py |
Ih.sigma.do_it |
8 |
0 |
0 |
100% |
| gpaw/point_groups/groups.py |
Ico.__init__ |
20 |
0 |
0 |
100% |
| gpaw/point_groups/groups.py |
Ico.__str__ |
1 |
1 |
0 |
0% |
| gpaw/point_groups/groups.py |
Ico.rotate_othermainaxis |
6 |
1 |
0 |
83% |
| gpaw/point_groups/groups.py |
Ico.rotate_othermainaxis.do_it |
6 |
0 |
0 |
100% |
| gpaw/point_groups/groups.py |
Ico.rotate_C3 |
11 |
1 |
0 |
91% |
| gpaw/point_groups/groups.py |
Ico.rotate_C3.do_it |
6 |
0 |
0 |
100% |
| gpaw/point_groups/groups.py |
Ico.C2 |
17 |
1 |
0 |
94% |
| gpaw/point_groups/groups.py |
Ico.C2.do_it |
6 |
0 |
0 |
100% |
| gpaw/point_groups/groups.py |
Td.__init__ |
11 |
0 |
0 |
100% |
| gpaw/point_groups/groups.py |
Td.__str__ |
1 |
1 |
0 |
0% |
| gpaw/point_groups/groups.py |
Td.rotate_othermainaxis |
6 |
1 |
0 |
83% |
| gpaw/point_groups/groups.py |
Td.rotate_othermainaxis.do_it |
6 |
0 |
0 |
100% |
| gpaw/point_groups/groups.py |
Td.C2 |
8 |
1 |
0 |
88% |
| gpaw/point_groups/groups.py |
Td.C2.do_it |
6 |
0 |
0 |
100% |
| gpaw/point_groups/groups.py |
Td.S4 |
8 |
1 |
0 |
88% |
| gpaw/point_groups/groups.py |
Td.S4.do_it |
6 |
0 |
0 |
100% |
| gpaw/point_groups/groups.py |
Td.sigma |
8 |
1 |
0 |
88% |
| gpaw/point_groups/groups.py |
Td.sigma.do_it |
8 |
0 |
0 |
100% |
| gpaw/point_groups/groups.py |
Th.__init__ |
12 |
0 |
0 |
100% |
| gpaw/point_groups/groups.py |
Th.__str__ |
1 |
1 |
0 |
0% |
| gpaw/point_groups/groups.py |
Th.rotate_othermainaxis |
6 |
1 |
0 |
83% |
| gpaw/point_groups/groups.py |
Th.rotate_othermainaxis.do_it |
6 |
0 |
0 |
100% |
| gpaw/point_groups/groups.py |
Th.C2 |
8 |
1 |
0 |
88% |
| gpaw/point_groups/groups.py |
Th.C2.do_it |
6 |
0 |
0 |
100% |
| gpaw/point_groups/groups.py |
Th.inversion |
1 |
0 |
0 |
100% |
| gpaw/point_groups/groups.py |
Th.S6 |
5 |
1 |
0 |
80% |
| gpaw/point_groups/groups.py |
Th.S6.do_it |
2 |
0 |
0 |
100% |
| gpaw/point_groups/groups.py |
Th.S6_othercap |
6 |
1 |
0 |
83% |
| gpaw/point_groups/groups.py |
Th.S6_othercap.do_it |
6 |
0 |
0 |
100% |
| gpaw/point_groups/groups.py |
Th.sigma |
8 |
1 |
0 |
88% |
| gpaw/point_groups/groups.py |
Th.sigma.do_it |
8 |
0 |
0 |
100% |
| gpaw/point_groups/groups.py |
C2v.__init__ |
8 |
0 |
0 |
100% |
| gpaw/point_groups/groups.py |
C2v.__str__ |
1 |
1 |
0 |
0% |
| gpaw/point_groups/groups.py |
C2v.C2 |
5 |
5 |
0 |
0% |
| gpaw/point_groups/groups.py |
C2v.C2.do_it |
1 |
1 |
0 |
0% |
| gpaw/point_groups/groups.py |
C2v.sigma_v |
5 |
1 |
0 |
80% |
| gpaw/point_groups/groups.py |
C2v.sigma_v.do_it |
4 |
0 |
0 |
100% |
| gpaw/point_groups/groups.py |
C3v.__init__ |
8 |
0 |
0 |
100% |
| gpaw/point_groups/groups.py |
C3v.__str__ |
1 |
1 |
0 |
0% |
| gpaw/point_groups/groups.py |
C3v.sigma_v |
5 |
1 |
0 |
80% |
| gpaw/point_groups/groups.py |
C3v.sigma_v.do_it |
4 |
0 |
0 |
100% |
| gpaw/point_groups/groups.py |
D3h.__init__ |
8 |
0 |
0 |
100% |
| gpaw/point_groups/groups.py |
D3h.__str__ |
1 |
1 |
0 |
0% |
| gpaw/point_groups/groups.py |
D3h.C2 |
5 |
1 |
0 |
80% |
| gpaw/point_groups/groups.py |
D3h.C2.do_it |
1 |
0 |
0 |
100% |
| gpaw/point_groups/groups.py |
D3h.sigma_h |
1 |
0 |
0 |
100% |
| gpaw/point_groups/groups.py |
D3h.S3 |
5 |
1 |
0 |
80% |
| gpaw/point_groups/groups.py |
D3h.S3.do_it |
1 |
0 |
0 |
100% |
| gpaw/point_groups/groups.py |
D3h.S53 |
5 |
5 |
0 |
0% |
| gpaw/point_groups/groups.py |
D3h.S53.do_it |
4 |
4 |
0 |
0% |
| gpaw/point_groups/groups.py |
D3h.sigma_v |
5 |
1 |
0 |
80% |
| gpaw/point_groups/groups.py |
D3h.sigma_v.do_it |
4 |
0 |
0 |
100% |
| gpaw/point_groups/groups.py |
D2d.__init__ |
8 |
0 |
0 |
100% |
| gpaw/point_groups/groups.py |
D2d.__str__ |
1 |
1 |
0 |
0% |
| gpaw/point_groups/groups.py |
D2d.S4 |
5 |
1 |
0 |
80% |
| gpaw/point_groups/groups.py |
D2d.S4.do_it |
2 |
0 |
0 |
100% |
| gpaw/point_groups/groups.py |
D2d.C2 |
5 |
1 |
0 |
80% |
| gpaw/point_groups/groups.py |
D2d.C2.do_it |
1 |
0 |
0 |
100% |
| gpaw/point_groups/groups.py |
D2d.C2p |
5 |
1 |
0 |
80% |
| gpaw/point_groups/groups.py |
D2d.C2p.do_it |
6 |
0 |
0 |
100% |
| gpaw/point_groups/groups.py |
D2d.sigma_d |
5 |
1 |
0 |
80% |
| gpaw/point_groups/groups.py |
D2d.sigma_d.do_it |
4 |
0 |
0 |
100% |
| gpaw/point_groups/groups.py |
C2.__init__ |
8 |
0 |
0 |
100% |
| gpaw/point_groups/groups.py |
C2.__str__ |
1 |
1 |
0 |
0% |
| gpaw/point_groups/groups.py |
Oh.__init__ |
8 |
0 |
0 |
100% |
| gpaw/point_groups/groups.py |
Oh.__str__ |
1 |
1 |
0 |
0% |
| gpaw/point_groups/groups.py |
Oh.C3 |
9 |
1 |
0 |
89% |
| gpaw/point_groups/groups.py |
Oh.C3.do_it |
6 |
0 |
0 |
100% |
| gpaw/point_groups/groups.py |
Oh.C2 |
8 |
1 |
0 |
88% |
| gpaw/point_groups/groups.py |
Oh.C2.do_it |
6 |
0 |
0 |
100% |
| gpaw/point_groups/groups.py |
Oh.C4 |
8 |
1 |
0 |
88% |
| gpaw/point_groups/groups.py |
Oh.C4.do_it |
4 |
0 |
0 |
100% |
| gpaw/point_groups/groups.py |
Oh.faceC2 |
8 |
1 |
0 |
88% |
| gpaw/point_groups/groups.py |
Oh.faceC2.do_it |
4 |
0 |
0 |
100% |
| gpaw/point_groups/groups.py |
Oh.inversion |
1 |
0 |
0 |
100% |
| gpaw/point_groups/groups.py |
Oh.S4 |
8 |
1 |
0 |
88% |
| gpaw/point_groups/groups.py |
Oh.S4.do_it |
4 |
0 |
0 |
100% |
| gpaw/point_groups/groups.py |
Oh.S6 |
9 |
1 |
0 |
89% |
| gpaw/point_groups/groups.py |
Oh.S6.do_it |
6 |
0 |
0 |
100% |
| gpaw/point_groups/groups.py |
Oh.sigma_h |
7 |
1 |
0 |
86% |
| gpaw/point_groups/groups.py |
Oh.sigma_h.do_it |
4 |
0 |
0 |
100% |
| gpaw/point_groups/groups.py |
Oh.sigma_d |
8 |
1 |
0 |
88% |
| gpaw/point_groups/groups.py |
Oh.sigma_d.do_it |
6 |
0 |
0 |
100% |
| gpaw/point_groups/groups.py |
(no function) |
101 |
0 |
0 |
100% |
| gpaw/poisson.py |
create_poisson_solver |
23 |
2 |
0 |
91% |
| gpaw/poisson.py |
PoissonSolver |
4 |
0 |
0 |
100% |
| gpaw/poisson.py |
FDPoissonSolverWrapper |
3 |
1 |
0 |
67% |
| gpaw/poisson.py |
_PoissonSolver.__init__ |
1 |
0 |
0 |
100% |
| gpaw/poisson.py |
_PoissonSolver.set_grid_descriptor |
1 |
1 |
0 |
0% |
| gpaw/poisson.py |
_PoissonSolver.solve |
1 |
1 |
0 |
0% |
| gpaw/poisson.py |
_PoissonSolver.todict |
1 |
1 |
0 |
0% |
| gpaw/poisson.py |
_PoissonSolver.get_description |
1 |
1 |
0 |
0% |
| gpaw/poisson.py |
_PoissonSolver.estimate_memory |
1 |
1 |
0 |
0% |
| gpaw/poisson.py |
_PoissonSolver.build |
4 |
0 |
0 |
100% |
| gpaw/poisson.py |
BasePoissonSolver.__init__ |
13 |
1 |
0 |
92% |
| gpaw/poisson.py |
BasePoissonSolver.todict |
10 |
2 |
0 |
80% |
| gpaw/poisson.py |
BasePoissonSolver.get_description |
8 |
2 |
0 |
75% |
| gpaw/poisson.py |
BasePoissonSolver.solve |
70 |
16 |
0 |
77% |
| gpaw/poisson.py |
BasePoissonSolver.load_gauss |
4 |
0 |
0 |
100% |
| gpaw/poisson.py |
FDPoissonSolver.__init__ |
12 |
1 |
0 |
92% |
| gpaw/poisson.py |
FDPoissonSolver.todict |
3 |
0 |
0 |
100% |
| gpaw/poisson.py |
FDPoissonSolver.get_stencil |
1 |
1 |
0 |
0% |
| gpaw/poisson.py |
FDPoissonSolver.create_laplace |
1 |
0 |
0 |
100% |
| gpaw/poisson.py |
FDPoissonSolver.set_grid_descriptor |
41 |
8 |
0 |
80% |
| gpaw/poisson.py |
FDPoissonSolver.get_description |
11 |
1 |
0 |
91% |
| gpaw/poisson.py |
FDPoissonSolver._init |
19 |
0 |
0 |
100% |
| gpaw/poisson.py |
FDPoissonSolver.solve_neutral |
19 |
2 |
0 |
89% |
| gpaw/poisson.py |
FDPoissonSolver.iterate2 |
17 |
0 |
0 |
100% |
| gpaw/poisson.py |
FDPoissonSolver.estimate_memory |
6 |
0 |
0 |
100% |
| gpaw/poisson.py |
FDPoissonSolver.__repr__ |
3 |
3 |
0 |
0% |
| gpaw/poisson.py |
NoInteractionPoissonSolver.get_description |
1 |
0 |
0 |
100% |
| gpaw/poisson.py |
NoInteractionPoissonSolver.get_stencil |
1 |
1 |
0 |
0% |
| gpaw/poisson.py |
NoInteractionPoissonSolver.solve |
1 |
0 |
0 |
100% |
| gpaw/poisson.py |
NoInteractionPoissonSolver.set_grid_descriptor |
1 |
0 |
0 |
100% |
| gpaw/poisson.py |
NoInteractionPoissonSolver.todict |
1 |
0 |
0 |
100% |
| gpaw/poisson.py |
NoInteractionPoissonSolver.estimate_memory |
1 |
0 |
0 |
100% |
| gpaw/poisson.py |
FFTPoissonSolver.__init__ |
2 |
0 |
0 |
100% |
| gpaw/poisson.py |
FFTPoissonSolver.get_description |
1 |
0 |
0 |
100% |
| gpaw/poisson.py |
FFTPoissonSolver.todict |
1 |
0 |
0 |
100% |
| gpaw/poisson.py |
FFTPoissonSolver.set_grid_descriptor |
9 |
0 |
0 |
100% |
| gpaw/poisson.py |
FFTPoissonSolver._init |
6 |
0 |
0 |
100% |
| gpaw/poisson.py |
FFTPoissonSolver.solve_neutral |
18 |
0 |
0 |
100% |
| gpaw/poisson.py |
FFTPoissonSolver.estimate_memory |
1 |
0 |
0 |
100% |
| gpaw/poisson.py |
rfst2 |
17 |
9 |
0 |
47% |
| gpaw/poisson.py |
irfst2 |
17 |
10 |
0 |
41% |
| gpaw/poisson.py |
fst |
21 |
21 |
0 |
0% |
| gpaw/poisson.py |
ifst |
21 |
21 |
0 |
0% |
| gpaw/poisson.py |
transform |
12 |
4 |
0 |
67% |
| gpaw/poisson.py |
transform2 |
9 |
2 |
0 |
78% |
| gpaw/poisson.py |
itransform |
13 |
4 |
0 |
69% |
| gpaw/poisson.py |
itransform2 |
9 |
2 |
0 |
78% |
| gpaw/poisson.py |
FastPoissonSolver.__init__ |
3 |
0 |
0 |
100% |
| gpaw/poisson.py |
FastPoissonSolver._init |
1 |
0 |
0 |
100% |
| gpaw/poisson.py |
FastPoissonSolver.set_grid_descriptor |
66 |
9 |
0 |
86% |
| gpaw/poisson.py |
FastPoissonSolver.solve_neutral |
30 |
1 |
0 |
97% |
| gpaw/poisson.py |
FastPoissonSolver.todict |
3 |
0 |
0 |
100% |
| gpaw/poisson.py |
FastPoissonSolver.estimate_memory |
1 |
0 |
0 |
100% |
| gpaw/poisson.py |
FastPoissonSolver.get_description |
3 |
0 |
0 |
100% |
| gpaw/poisson.py |
(no function) |
84 |
0 |
0 |
100% |
| gpaw/poisson_extravacuum.py |
ext_gd |
2 |
0 |
0 |
100% |
| gpaw/poisson_extravacuum.py |
ExtraVacuumPoissonSolver.__init__ |
14 |
0 |
0 |
100% |
| gpaw/poisson_extravacuum.py |
ExtraVacuumPoissonSolver.set_grid_descriptor |
53 |
1 |
0 |
98% |
| gpaw/poisson_extravacuum.py |
ExtraVacuumPoissonSolver._init |
4 |
0 |
0 |
100% |
| gpaw/poisson_extravacuum.py |
ExtraVacuumPoissonSolver.solve |
38 |
0 |
0 |
100% |
| gpaw/poisson_extravacuum.py |
ExtraVacuumPoissonSolver.estimate_memory |
9 |
0 |
0 |
100% |
| gpaw/poisson_extravacuum.py |
ExtraVacuumPoissonSolver.get_description |
13 |
0 |
0 |
100% |
| gpaw/poisson_extravacuum.py |
ExtraVacuumPoissonSolver.get_description.add_line |
1 |
0 |
0 |
100% |
| gpaw/poisson_extravacuum.py |
ExtraVacuumPoissonSolver.get_description.get_cell |
12 |
0 |
0 |
100% |
| gpaw/poisson_extravacuum.py |
ExtraVacuumPoissonSolver.todict |
12 |
0 |
0 |
100% |
| gpaw/poisson_extravacuum.py |
(no function) |
16 |
0 |
0 |
100% |
| gpaw/poisson_moment.py |
MomentCorrection.__init__ |
4 |
0 |
0 |
100% |
| gpaw/poisson_moment.py |
MomentCorrection.todict |
5 |
0 |
0 |
100% |
| gpaw/poisson_moment.py |
MomentCorrection.__str__ |
8 |
0 |
0 |
100% |
| gpaw/poisson_moment.py |
MomentCorrection.__repr__ |
4 |
0 |
0 |
100% |
| gpaw/poisson_moment.py |
MomentCorrectionPoissonSolver.__init__ |
13 |
1 |
0 |
92% |
| gpaw/poisson_moment.py |
MomentCorrectionPoissonSolver.todict |
3 |
0 |
0 |
100% |
| gpaw/poisson_moment.py |
MomentCorrectionPoissonSolver.set_grid_descriptor |
2 |
0 |
0 |
100% |
| gpaw/poisson_moment.py |
MomentCorrectionPoissonSolver.get_description |
6 |
0 |
0 |
100% |
| gpaw/poisson_moment.py |
MomentCorrectionPoissonSolver._init |
7 |
1 |
0 |
86% |
| gpaw/poisson_moment.py |
MomentCorrectionPoissonSolver.load_moment_corrections_gauss |
26 |
0 |
0 |
100% |
| gpaw/poisson_moment.py |
MomentCorrectionPoissonSolver.solve |
2 |
0 |
0 |
100% |
| gpaw/poisson_moment.py |
MomentCorrectionPoissonSolver._solve |
21 |
0 |
0 |
100% |
| gpaw/poisson_moment.py |
MomentCorrectionPoissonSolver.estimate_memory |
4 |
0 |
0 |
100% |
| gpaw/poisson_moment.py |
MomentCorrectionPoissonSolver.__repr__ |
7 |
0 |
0 |
100% |
| gpaw/poisson_moment.py |
(no function) |
29 |
0 |
0 |
100% |
| gpaw/preconditioner.py |
Preconditioner.__init__ |
19 |
0 |
0 |
100% |
| gpaw/preconditioner.py |
Preconditioner.calculate_kinetic_energy |
1 |
0 |
0 |
100% |
| gpaw/preconditioner.py |
Preconditioner.__call__ |
45 |
4 |
0 |
91% |
| gpaw/preconditioner.py |
(no function) |
9 |
0 |
0 |
100% |
| gpaw/projections.py |
Projections.__init__ |
28 |
0 |
0 |
100% |
| gpaw/projections.py |
Projections.array |
3 |
0 |
0 |
100% |
| gpaw/projections.py |
Projections.new |
7 |
0 |
0 |
100% |
| gpaw/projections.py |
Projections.view |
1 |
0 |
0 |
100% |
| gpaw/projections.py |
Projections.__getitem__ |
2 |
0 |
0 |
100% |
| gpaw/projections.py |
Projections.__iter__ |
1 |
0 |
0 |
100% |
| gpaw/projections.py |
Projections.__len__ |
1 |
1 |
0 |
0% |
| gpaw/projections.py |
Projections.broadcast |
11 |
1 |
0 |
91% |
| gpaw/projections.py |
Projections.redist |
5 |
0 |
0 |
100% |
| gpaw/projections.py |
Projections.collect |
12 |
7 |
0 |
42% |
| gpaw/projections.py |
Projections.toarraydict |
6 |
0 |
0 |
100% |
| gpaw/projections.py |
Projections.fromarraydict |
3 |
0 |
0 |
100% |
| gpaw/projections.py |
Projections.collect_atoms |
17 |
17 |
0 |
0% |
| gpaw/projections.py |
Projections.as_dict_on_master |
10 |
1 |
0 |
90% |
| gpaw/projections.py |
(no function) |
24 |
0 |
0 |
100% |
| gpaw/pseudopotential.py |
projectors_to_splines |
11 |
11 |
0 |
0% |
| gpaw/pseudopotential.py |
local_potential_to_spline |
6 |
6 |
0 |
0% |
| gpaw/pseudopotential.py |
get_radial_hartree_energy |
5 |
0 |
0 |
100% |
| gpaw/pseudopotential.py |
screen_potential |
21 |
1 |
0 |
95% |
| gpaw/pseudopotential.py |
figure_out_valence_states |
33 |
6 |
0 |
82% |
| gpaw/pseudopotential.py |
generate_basis_functions |
6 |
0 |
0 |
100% |
| gpaw/pseudopotential.py |
generate_basis_functions.SimpleBasis.__init__ |
11 |
0 |
0 |
100% |
| gpaw/pseudopotential.py |
pseudoplot |
26 |
26 |
0 |
0% |
| gpaw/pseudopotential.py |
pseudoplot.spline2grid |
3 |
3 |
0 |
0% |
| gpaw/pseudopotential.py |
PseudoPotential.__init__ |
72 |
2 |
0 |
97% |
| gpaw/pseudopotential.py |
(no function) |
19 |
0 |
0 |
100% |
| gpaw/purepython.py |
gpaw_gpu_init |
1 |
1 |
0 |
0% |
| gpaw/purepython.py |
get_num_threads |
1 |
1 |
0 |
0% |
| gpaw/purepython.py |
Spline.__init__ |
3 |
0 |
0 |
100% |
| gpaw/purepython.py |
Spline.__call__ |
1 |
1 |
0 |
0% |
| gpaw/purepython.py |
Spline.get_angular_momentum_number |
1 |
0 |
0 |
100% |
| gpaw/purepython.py |
Spline.get_cutoff |
1 |
0 |
0 |
100% |
| gpaw/purepython.py |
Spline.map |
2 |
0 |
0 |
100% |
| gpaw/purepython.py |
hartree |
15 |
0 |
0 |
100% |
| gpaw/purepython.py |
unpack |
8 |
0 |
0 |
100% |
| gpaw/purepython.py |
pack |
10 |
0 |
0 |
100% |
| gpaw/purepython.py |
add_to_density |
1 |
0 |
0 |
100% |
| gpaw/purepython.py |
pw_precond |
4 |
0 |
0 |
100% |
| gpaw/purepython.py |
pw_insert |
2 |
0 |
0 |
100% |
| gpaw/purepython.py |
pw_insert_gpu |
5 |
0 |
0 |
100% |
| gpaw/purepython.py |
pwlfc_expand |
15 |
0 |
0 |
100% |
| gpaw/purepython.py |
pwlfc_expand_gpu |
1 |
1 |
0 |
0% |
| gpaw/purepython.py |
dH_aii_times_P_ani_gpu |
9 |
0 |
0 |
100% |
| gpaw/purepython.py |
pw_amend_insert_realwf_gpu |
6 |
0 |
0 |
100% |
| gpaw/purepython.py |
calculate_residuals_gpu |
2 |
0 |
0 |
100% |
| gpaw/purepython.py |
add_to_density_gpu |
2 |
0 |
0 |
100% |
| gpaw/purepython.py |
symmetrize_ft |
4 |
4 |
0 |
0% |
| gpaw/purepython.py |
evaluate_lda_gpu |
5 |
2 |
0 |
60% |
| gpaw/purepython.py |
evaluate_pbe_gpu |
5 |
2 |
0 |
60% |
| gpaw/purepython.py |
pw_norm_gpu |
3 |
1 |
0 |
67% |
| gpaw/purepython.py |
pw_norm_kinetic_gpu |
3 |
1 |
0 |
67% |
| gpaw/purepython.py |
(no function) |
31 |
0 |
0 |
100% |
| gpaw/pw/density.py |
PseudoCoreKineticEnergyDensityLFC.add |
1 |
0 |
0 |
100% |
| gpaw/pw/density.py |
PseudoCoreKineticEnergyDensityLFC.derivative |
1 |
0 |
0 |
100% |
| gpaw/pw/density.py |
ReciprocalSpaceDensity.__init__ |
9 |
0 |
0 |
100% |
| gpaw/pw/density.py |
ReciprocalSpaceDensity.initialize |
8 |
1 |
0 |
88% |
| gpaw/pw/density.py |
ReciprocalSpaceDensity.set_positions |
4 |
0 |
0 |
100% |
| gpaw/pw/density.py |
ReciprocalSpaceDensity.interpolate_pseudo_density |
14 |
0 |
0 |
100% |
| gpaw/pw/density.py |
ReciprocalSpaceDensity.interpolate |
7 |
1 |
0 |
86% |
| gpaw/pw/density.py |
ReciprocalSpaceDensity.calculate_pseudo_charge |
5 |
0 |
0 |
100% |
| gpaw/pw/density.py |
ReciprocalSpaceDensity.get_pseudo_core_kinetic_energy_density_lfc |
1 |
0 |
0 |
100% |
| gpaw/pw/density.py |
ReciprocalSpaceDensity.calculate_dipole_moment |
12 |
1 |
0 |
92% |
| gpaw/pw/density.py |
(no function) |
18 |
0 |
0 |
100% |
| gpaw/pw/descriptor.py |
PWDescriptor.__init__ |
73 |
2 |
0 |
97% |
| gpaw/pw/descriptor.py |
PWDescriptor.setup_pw_grid |
16 |
0 |
0 |
100% |
| gpaw/pw/descriptor.py |
PWDescriptor.get_reciprocal_vectors |
4 |
0 |
0 |
100% |
| gpaw/pw/descriptor.py |
PWDescriptor.__getstate__ |
1 |
1 |
0 |
0% |
| gpaw/pw/descriptor.py |
PWDescriptor.__setstate__ |
1 |
1 |
0 |
0% |
| gpaw/pw/descriptor.py |
PWDescriptor.estimate_memory |
2 |
0 |
0 |
100% |
| gpaw/pw/descriptor.py |
PWDescriptor.bytecount |
1 |
1 |
0 |
0% |
| gpaw/pw/descriptor.py |
PWDescriptor.zeros |
3 |
0 |
0 |
100% |
| gpaw/pw/descriptor.py |
PWDescriptor.empty |
11 |
0 |
0 |
100% |
| gpaw/pw/descriptor.py |
PWDescriptor.fft |
13 |
1 |
0 |
92% |
| gpaw/pw/descriptor.py |
PWDescriptor.ifft |
23 |
1 |
0 |
96% |
| gpaw/pw/descriptor.py |
PWDescriptor.scatter |
6 |
3 |
0 |
50% |
| gpaw/pw/descriptor.py |
PWDescriptor.gather |
10 |
7 |
0 |
30% |
| gpaw/pw/descriptor.py |
PWDescriptor.alltoall1 |
19 |
16 |
0 |
16% |
| gpaw/pw/descriptor.py |
PWDescriptor.alltoall2 |
19 |
15 |
0 |
21% |
| gpaw/pw/descriptor.py |
PWDescriptor.integrate |
35 |
4 |
0 |
89% |
| gpaw/pw/descriptor.py |
PWDescriptor.interpolate |
36 |
2 |
0 |
94% |
| gpaw/pw/descriptor.py |
PWDescriptor.restrict |
32 |
1 |
0 |
97% |
| gpaw/pw/descriptor.py |
PWMapping.__init__ |
23 |
0 |
0 |
100% |
| gpaw/pw/descriptor.py |
PWMapping.add_to1 |
11 |
7 |
0 |
36% |
| gpaw/pw/descriptor.py |
PWMapping.add_to2 |
7 |
3 |
0 |
57% |
| gpaw/pw/descriptor.py |
count_reciprocal_vectors |
11 |
0 |
0 |
100% |
| gpaw/pw/descriptor.py |
pad |
11 |
1 |
0 |
91% |
| gpaw/pw/descriptor.py |
(no function) |
33 |
0 |
0 |
100% |
| gpaw/pw/hamiltonian.py |
ReciprocalSpaceHamiltonian.__init__ |
30 |
0 |
0 |
100% |
| gpaw/pw/hamiltonian.py |
ReciprocalSpaceHamiltonian.__str__ |
4 |
0 |
0 |
100% |
| gpaw/pw/hamiltonian.py |
ReciprocalSpaceHamiltonian.xc_gd |
3 |
0 |
0 |
100% |
| gpaw/pw/hamiltonian.py |
ReciprocalSpaceHamiltonian.set_positions |
3 |
0 |
0 |
100% |
| gpaw/pw/hamiltonian.py |
ReciprocalSpaceHamiltonian.update_pseudo_potential |
27 |
0 |
0 |
100% |
| gpaw/pw/hamiltonian.py |
ReciprocalSpaceHamiltonian.calculate_atomic_hamiltonians |
4 |
0 |
0 |
100% |
| gpaw/pw/hamiltonian.py |
ReciprocalSpaceHamiltonian.calculate_atomic_hamiltonians.getshape |
1 |
0 |
0 |
100% |
| gpaw/pw/hamiltonian.py |
ReciprocalSpaceHamiltonian.calculate_kinetic_energy |
5 |
0 |
0 |
100% |
| gpaw/pw/hamiltonian.py |
ReciprocalSpaceHamiltonian.restrict |
7 |
0 |
0 |
100% |
| gpaw/pw/hamiltonian.py |
ReciprocalSpaceHamiltonian.calculate_forces2 |
3 |
0 |
0 |
100% |
| gpaw/pw/hamiltonian.py |
ReciprocalSpaceHamiltonian.get_electrostatic_potential |
4 |
0 |
0 |
100% |
| gpaw/pw/hamiltonian.py |
(no function) |
21 |
0 |
0 |
100% |
| gpaw/pw/lfc.py |
PWLFC.__init__ |
24 |
1 |
0 |
96% |
| gpaw/pw/lfc.py |
PWLFC.initialize |
36 |
0 |
0 |
100% |
| gpaw/pw/lfc.py |
PWLFC.estimate_memory |
9 |
0 |
0 |
100% |
| gpaw/pw/lfc.py |
PWLFC.get_function_count |
1 |
0 |
0 |
100% |
| gpaw/pw/lfc.py |
PWLFC.set_positions |
25 |
0 |
0 |
100% |
| gpaw/pw/lfc.py |
PWLFC.expand |
11 |
0 |
0 |
100% |
| gpaw/pw/lfc.py |
PWLFC.block |
14 |
0 |
0 |
100% |
| gpaw/pw/lfc.py |
PWLFC.add |
22 |
3 |
0 |
86% |
| gpaw/pw/lfc.py |
PWLFC.integrate |
24 |
0 |
0 |
100% |
| gpaw/pw/lfc.py |
PWLFC.matrix_elements |
2 |
2 |
0 |
0% |
| gpaw/pw/lfc.py |
PWLFC.derivative |
29 |
0 |
0 |
100% |
| gpaw/pw/lfc.py |
PWLFC.stress_tensor_contribution |
39 |
0 |
0 |
100% |
| gpaw/pw/lfc.py |
PWLFC._stress_tensor_contribution |
24 |
0 |
0 |
100% |
| gpaw/pw/lfc.py |
(no function) |
21 |
0 |
0 |
100% |
| gpaw/pw/poisson.py |
ReciprocalSpacePoissonSolver.__init__ |
6 |
0 |
0 |
100% |
| gpaw/pw/poisson.py |
ReciprocalSpacePoissonSolver.__str__ |
1 |
0 |
0 |
100% |
| gpaw/pw/poisson.py |
ReciprocalSpacePoissonSolver.estimate_memory |
1 |
0 |
0 |
100% |
| gpaw/pw/poisson.py |
ReciprocalSpacePoissonSolver.solve |
3 |
0 |
0 |
100% |
| gpaw/pw/poisson.py |
ReciprocalSpacePoissonSolver._solve |
6 |
0 |
0 |
100% |
| gpaw/pw/poisson.py |
ChargedReciprocalSpacePoissonSolver.__init__ |
20 |
0 |
0 |
100% |
| gpaw/pw/poisson.py |
ChargedReciprocalSpacePoissonSolver.__str__ |
1 |
0 |
0 |
100% |
| gpaw/pw/poisson.py |
ChargedReciprocalSpacePoissonSolver._solve |
13 |
0 |
0 |
100% |
| gpaw/pw/poisson.py |
(no function) |
17 |
0 |
0 |
100% |
| gpaw/quiz.py |
Question.ask |
21 |
21 |
0 |
0% |
| gpaw/quiz.py |
encode |
1 |
1 |
0 |
0% |
| gpaw/quiz.py |
main |
9 |
9 |
0 |
0% |
| gpaw/quiz.py |
(no function) |
22 |
1 |
0 |
95% |
| gpaw/raman/raman.py |
lorentzian |
2 |
2 |
0 |
0% |
| gpaw/raman/raman.py |
gaussian |
2 |
2 |
0 |
0% |
| gpaw/raman/raman.py |
calculate_raman |
77 |
77 |
0 |
0% |
| gpaw/raman/raman.py |
calculate_raman._term1 |
8 |
8 |
0 |
0% |
| gpaw/raman/raman.py |
calculate_raman._term2 |
9 |
9 |
0 |
0% |
| gpaw/raman/raman.py |
calculate_raman._term3 |
9 |
9 |
0 |
0% |
| gpaw/raman/raman.py |
calculate_raman._term4 |
9 |
9 |
0 |
0% |
| gpaw/raman/raman.py |
calculate_raman._term5 |
8 |
8 |
0 |
0% |
| gpaw/raman/raman.py |
calculate_raman._term6 |
9 |
9 |
0 |
0% |
| gpaw/raman/raman.py |
calculate_raman_tensor |
3 |
3 |
0 |
0% |
| gpaw/raman/raman.py |
calculate_raman_intensity |
18 |
18 |
0 |
0% |
| gpaw/raman/raman.py |
plot_raman |
46 |
46 |
0 |
0% |
| gpaw/raman/raman.py |
(no function) |
8 |
0 |
0 |
100% |
| gpaw/response/__init__.py |
(no function) |
4 |
0 |
0 |
100% |
| gpaw/response/bse.py |
decide_whether_tammdancoff |
4 |
0 |
0 |
100% |
| gpaw/response/bse.py |
BSEMatrix.diagonalize_nontammdancoff |
19 |
1 |
0 |
95% |
| gpaw/response/bse.py |
BSEMatrix.diagonalize_tammdancoff |
24 |
16 |
0 |
33% |
| gpaw/response/bse.py |
BSEMatrix.exclude_states |
8 |
0 |
0 |
100% |
| gpaw/response/bse.py |
parallel_delete |
28 |
0 |
0 |
100% |
| gpaw/response/bse.py |
SpinorData.__init__ |
11 |
0 |
0 |
100% |
| gpaw/response/bse.py |
SpinorData._transform_rho |
18 |
7 |
0 |
61% |
| gpaw/response/bse.py |
SpinorData.rho_valence_valence |
1 |
0 |
0 |
100% |
| gpaw/response/bse.py |
SpinorData.rho_conduction_conduction |
1 |
0 |
0 |
100% |
| gpaw/response/bse.py |
SpinorData.rho_valence_conduction |
1 |
0 |
0 |
100% |
| gpaw/response/bse.py |
SpinorData.get_deps |
3 |
0 |
0 |
100% |
| gpaw/response/bse.py |
SpinorData.get_df |
3 |
0 |
0 |
100% |
| gpaw/response/bse.py |
BSEBackend.__init__ |
57 |
2 |
0 |
96% |
| gpaw/response/bse.py |
BSEBackend.parse_bands |
15 |
2 |
0 |
87% |
| gpaw/response/bse.py |
BSEBackend._spinordata |
8 |
0 |
0 |
100% |
| gpaw/response/bse.py |
BSEBackend.calculate |
106 |
13 |
0 |
88% |
| gpaw/response/bse.py |
BSEBackend.calculate.update_progress |
3 |
0 |
0 |
100% |
| gpaw/response/bse.py |
BSEBackend.add_direct_kernel |
24 |
0 |
0 |
100% |
| gpaw/response/bse.py |
BSEBackend.add_indirect_kernel |
9 |
0 |
0 |
100% |
| gpaw/response/bse.py |
BSEBackend.get_density_matrix |
12 |
0 |
0 |
100% |
| gpaw/response/bse.py |
BSEBackend._chi0calc |
1 |
0 |
0 |
100% |
| gpaw/response/bse.py |
BSEBackend.blockcomm |
1 |
1 |
0 |
0% |
| gpaw/response/bse.py |
BSEBackend.wcontext |
1 |
0 |
0 |
100% |
| gpaw/response/bse.py |
BSEBackend._wcalc |
1 |
0 |
0 |
100% |
| gpaw/response/bse.py |
BSEBackend.calculate_screened_potential |
17 |
3 |
0 |
82% |
| gpaw/response/bse.py |
BSEBackend.diagonalize_bse_matrix |
4 |
0 |
0 |
100% |
| gpaw/response/bse.py |
BSEBackend.get_bse_matrix |
1 |
0 |
0 |
100% |
| gpaw/response/bse.py |
BSEBackend.get_spectral_weights |
33 |
11 |
0 |
67% |
| gpaw/response/bse.py |
BSEBackend.get_vchi |
34 |
1 |
0 |
97% |
| gpaw/response/bse.py |
BSEBackend.get_dielectric_function |
2 |
0 |
0 |
100% |
| gpaw/response/bse.py |
BSEBackend.get_eels_spectrum |
2 |
0 |
0 |
100% |
| gpaw/response/bse.py |
BSEBackend.get_polarizability |
2 |
0 |
0 |
100% |
| gpaw/response/bse.py |
BSEBackend.get_magnetic_susceptibility |
11 |
11 |
0 |
0% |
| gpaw/response/bse.py |
BSEBackend.vchi |
2 |
0 |
0 |
100% |
| gpaw/response/bse.py |
BSEBackend.collect_A_SS |
13 |
5 |
0 |
62% |
| gpaw/response/bse.py |
BSEBackend.parallelisation_kpoints |
7 |
0 |
0 |
100% |
| gpaw/response/bse.py |
BSEBackend.print_initialization |
17 |
1 |
0 |
94% |
| gpaw/response/bse.py |
BSE.__init__ |
2 |
0 |
0 |
100% |
| gpaw/response/bse.py |
write_bse_eigenvalues |
5 |
0 |
0 |
100% |
| gpaw/response/bse.py |
read_bse_eigenvalues |
2 |
0 |
0 |
100% |
| gpaw/response/bse.py |
write_spectrum |
3 |
0 |
0 |
100% |
| gpaw/response/bse.py |
read_spectrum |
2 |
0 |
0 |
100% |
| gpaw/response/bse.py |
VChi.epsilon |
2 |
0 |
0 |
100% |
| gpaw/response/bse.py |
VChi.eels |
2 |
0 |
0 |
100% |
| gpaw/response/bse.py |
VChi.alpha |
3 |
0 |
0 |
100% |
| gpaw/response/bse.py |
VChi.susceptibility |
2 |
2 |
0 |
0% |
| gpaw/response/bse.py |
VChi.dielectric_function |
1 |
0 |
0 |
100% |
| gpaw/response/bse.py |
VChi.eels_spectrum |
1 |
0 |
0 |
100% |
| gpaw/response/bse.py |
VChi.polarizability |
1 |
0 |
0 |
100% |
| gpaw/response/bse.py |
VChi.magnetic_susceptibility |
1 |
1 |
0 |
0% |
| gpaw/response/bse.py |
VChi._hackywrite |
9 |
0 |
0 |
100% |
| gpaw/response/bse.py |
(no function) |
106 |
0 |
0 |
100% |
| gpaw/response/chi0.py |
Chi0Calculator.__init__ |
5 |
0 |
0 |
100% |
| gpaw/response/chi0.py |
Chi0Calculator.wd |
3 |
0 |
0 |
100% |
| gpaw/response/chi0.py |
Chi0Calculator.pair_calc |
1 |
0 |
0 |
100% |
| gpaw/response/chi0.py |
Chi0Calculator.create_chi0 |
3 |
0 |
0 |
100% |
| gpaw/response/chi0.py |
Chi0Calculator.calculate |
7 |
0 |
0 |
100% |
| gpaw/response/chi0.py |
Chi0Calculator.update_chi0 |
7 |
0 |
0 |
100% |
| gpaw/response/chi0.py |
Chi0BodyCalculator.__init__ |
4 |
0 |
0 |
100% |
| gpaw/response/chi0.py |
Chi0BodyCalculator.create_chi0_body |
2 |
0 |
0 |
100% |
| gpaw/response/chi0.py |
Chi0BodyCalculator._create_chi0_body |
1 |
0 |
0 |
100% |
| gpaw/response/chi0.py |
Chi0BodyCalculator.get_blockdist |
1 |
0 |
0 |
100% |
| gpaw/response/chi0.py |
Chi0BodyCalculator.calculate |
6 |
0 |
0 |
100% |
| gpaw/response/chi0.py |
Chi0BodyCalculator.update_chi0_body |
22 |
0 |
0 |
100% |
| gpaw/response/chi0.py |
Chi0BodyCalculator.construct_hermitian_task |
1 |
0 |
0 |
100% |
| gpaw/response/chi0.py |
Chi0BodyCalculator.construct_point_hilbert_task |
1 |
0 |
0 |
100% |
| gpaw/response/chi0.py |
Chi0BodyCalculator.construct_tetra_hilbert_task |
1 |
0 |
0 |
100% |
| gpaw/response/chi0.py |
Chi0BodyCalculator.construct_literal_task |
1 |
0 |
0 |
100% |
| gpaw/response/chi0.py |
Chi0BodyCalculator.print_info |
17 |
5 |
0 |
71% |
| gpaw/response/chi0.py |
Chi0OpticalExtensionCalculator.__init__ |
12 |
0 |
0 |
100% |
| gpaw/response/chi0.py |
Chi0OpticalExtensionCalculator.calculate |
10 |
1 |
0 |
90% |
| gpaw/response/chi0.py |
Chi0OpticalExtensionCalculator.update_chi0_optical_extension |
19 |
0 |
0 |
100% |
| gpaw/response/chi0.py |
Chi0OpticalExtensionCalculator.construct_hermitian_task |
1 |
0 |
0 |
100% |
| gpaw/response/chi0.py |
Chi0OpticalExtensionCalculator.construct_point_hilbert_task |
1 |
0 |
0 |
100% |
| gpaw/response/chi0.py |
Chi0OpticalExtensionCalculator.construct_tetra_hilbert_task |
2 |
0 |
0 |
100% |
| gpaw/response/chi0.py |
Chi0OpticalExtensionCalculator.construct_literal_task |
1 |
0 |
0 |
100% |
| gpaw/response/chi0.py |
Chi0OpticalExtensionCalculator.print_info |
2 |
0 |
0 |
100% |
| gpaw/response/chi0.py |
get_frequency_descriptor |
6 |
0 |
0 |
100% |
| gpaw/response/chi0.py |
get_omegamax |
2 |
0 |
0 |
100% |
| gpaw/response/chi0.py |
(no function) |
54 |
3 |
0 |
94% |
| gpaw/response/chi0_base.py |
Chi0Integrand.__init__ |
17 |
0 |
0 |
100% |
| gpaw/response/chi0_base.py |
Chi0Integrand.matrix_element |
6 |
0 |
0 |
100% |
| gpaw/response/chi0_base.py |
Chi0Integrand._get_any_matrix_element |
18 |
0 |
0 |
100% |
| gpaw/response/chi0_base.py |
Chi0Integrand.eigenvalues |
15 |
0 |
0 |
100% |
| gpaw/response/chi0_base.py |
Chi0ComponentCalculator.__init__ |
8 |
0 |
0 |
100% |
| gpaw/response/chi0_base.py |
Chi0ComponentCalculator.pbc |
1 |
0 |
0 |
100% |
| gpaw/response/chi0_base.py |
Chi0ComponentCalculator.construct_integrator |
2 |
0 |
0 |
100% |
| gpaw/response/chi0_base.py |
Chi0ComponentCalculator.get_integrator_cls |
10 |
1 |
0 |
90% |
| gpaw/response/chi0_base.py |
Chi0ComponentCalculator.check_high_symmetry_ibz_kpts |
8 |
1 |
0 |
88% |
| gpaw/response/chi0_base.py |
Chi0ComponentCalculator.get_integration_domain |
14 |
0 |
0 |
100% |
| gpaw/response/chi0_base.py |
Chi0ComponentCalculator.get_kpoints |
7 |
0 |
0 |
100% |
| gpaw/response/chi0_base.py |
Chi0ComponentCalculator.get_gs_info_string |
12 |
0 |
0 |
100% |
| gpaw/response/chi0_base.py |
Chi0ComponentPWCalculator.__init__ |
17 |
1 |
0 |
94% |
| gpaw/response/chi0_base.py |
Chi0ComponentPWCalculator.pair_calc |
1 |
0 |
0 |
100% |
| gpaw/response/chi0_base.py |
Chi0ComponentPWCalculator.construct_integral_task |
8 |
0 |
0 |
100% |
| gpaw/response/chi0_base.py |
Chi0ComponentPWCalculator.construct_hilbert_task |
4 |
0 |
0 |
100% |
| gpaw/response/chi0_base.py |
Chi0ComponentPWCalculator.get_pw_descriptor |
1 |
0 |
0 |
100% |
| gpaw/response/chi0_base.py |
Chi0ComponentPWCalculator.get_response_info_string |
9 |
0 |
0 |
100% |
| gpaw/response/chi0_base.py |
(no function) |
52 |
3 |
0 |
94% |
| gpaw/response/chi0_data.py |
Chi0RelatedData.__init__ |
5 |
0 |
0 |
100% |
| gpaw/response/chi0_data.py |
Chi0BodyData.__init__ |
4 |
0 |
0 |
100% |
| gpaw/response/chi0_data.py |
Chi0BodyData.zeros |
1 |
0 |
0 |
100% |
| gpaw/response/chi0_data.py |
Chi0BodyData.mynG |
1 |
0 |
0 |
100% |
| gpaw/response/chi0_data.py |
Chi0BodyData.WgG_shape |
1 |
0 |
0 |
100% |
| gpaw/response/chi0_data.py |
Chi0BodyData.get_distributed_frequencies_array |
1 |
0 |
0 |
100% |
| gpaw/response/chi0_data.py |
Chi0BodyData.get_distributed_frequencies_blocks1d |
1 |
0 |
0 |
100% |
| gpaw/response/chi0_data.py |
Chi0BodyData.copy_array_with_distribution |
5 |
0 |
0 |
100% |
| gpaw/response/chi0_data.py |
Chi0BodyData.copy_with_reduced_pd |
3 |
0 |
0 |
100% |
| gpaw/response/chi0_data.py |
Chi0DrudeData.__init__ |
2 |
0 |
0 |
100% |
| gpaw/response/chi0_data.py |
Chi0DrudeData.zeros |
1 |
0 |
0 |
100% |
| gpaw/response/chi0_data.py |
Chi0DrudeData.from_frequency_descriptor |
3 |
0 |
0 |
100% |
| gpaw/response/chi0_data.py |
Chi0DrudeData.nz |
1 |
0 |
0 |
100% |
| gpaw/response/chi0_data.py |
Chi0DrudeData.vv_shape |
1 |
0 |
0 |
100% |
| gpaw/response/chi0_data.py |
Chi0DrudeData.Zvv_shape |
1 |
0 |
0 |
100% |
| gpaw/response/chi0_data.py |
Chi0OpticalExtensionData.__init__ |
3 |
0 |
0 |
100% |
| gpaw/response/chi0_data.py |
Chi0OpticalExtensionData.zeros |
1 |
0 |
0 |
100% |
| gpaw/response/chi0_data.py |
Chi0OpticalExtensionData.Wvv_shape |
1 |
0 |
0 |
100% |
| gpaw/response/chi0_data.py |
Chi0OpticalExtensionData.WxvG_shape |
1 |
0 |
0 |
100% |
| gpaw/response/chi0_data.py |
Chi0OpticalExtensionData.copy_with_reduced_pd |
5 |
0 |
0 |
100% |
| gpaw/response/chi0_data.py |
Chi0Data.__init__ |
9 |
0 |
0 |
100% |
| gpaw/response/chi0_data.py |
Chi0Data.from_chi0_body_data |
6 |
0 |
0 |
100% |
| gpaw/response/chi0_data.py |
Chi0Data.copy_with_reduced_pd |
5 |
0 |
0 |
100% |
| gpaw/response/chi0_data.py |
Chi0Data.chi0_WgG |
1 |
0 |
0 |
100% |
| gpaw/response/chi0_data.py |
Chi0Data.chi0_Wvv |
2 |
0 |
0 |
100% |
| gpaw/response/chi0_data.py |
Chi0Data.chi0_WxvG |
2 |
0 |
0 |
100% |
| gpaw/response/chi0_data.py |
(no function) |
50 |
0 |
0 |
100% |
| gpaw/response/chi0_drude.py |
Chi0DrudeCalculator.__init__ |
2 |
0 |
0 |
100% |
| gpaw/response/chi0_drude.py |
Chi0DrudeCalculator.calculate |
4 |
0 |
0 |
100% |
| gpaw/response/chi0_drude.py |
Chi0DrudeCalculator._calculate |
14 |
0 |
0 |
100% |
| gpaw/response/chi0_drude.py |
Chi0DrudeCalculator.construct_integral_task_and_wd |
9 |
0 |
0 |
100% |
| gpaw/response/chi0_drude.py |
Chi0DrudeCalculator.print_info |
2 |
0 |
0 |
100% |
| gpaw/response/chi0_drude.py |
PlasmaFrequencyIntegrand.__init__ |
3 |
0 |
0 |
100% |
| gpaw/response/chi0_drude.py |
PlasmaFrequencyIntegrand._band_summation |
1 |
0 |
0 |
100% |
| gpaw/response/chi0_drude.py |
PlasmaFrequencyIntegrand.matrix_element |
19 |
1 |
0 |
95% |
| gpaw/response/chi0_drude.py |
PlasmaFrequencyIntegrand.eigenvalues |
10 |
0 |
0 |
100% |
| gpaw/response/chi0_drude.py |
(no function) |
23 |
1 |
0 |
96% |
| gpaw/response/chiks.py |
GeneralizedSuscetibilityCalculator.__init__ |
13 |
0 |
0 |
100% |
| gpaw/response/chiks.py |
GeneralizedSuscetibilityCalculator.calculate |
3 |
0 |
0 |
100% |
| gpaw/response/chiks.py |
GeneralizedSuscetibilityCalculator._set_up_internals |
6 |
0 |
0 |
100% |
| gpaw/response/chiks.py |
GeneralizedSuscetibilityCalculator._calculate |
8 |
0 |
0 |
100% |
| gpaw/response/chiks.py |
GeneralizedSuscetibilityCalculator.get_pw_descriptor |
11 |
0 |
0 |
100% |
| gpaw/response/chiks.py |
GeneralizedSuscetibilityCalculator.create_chiks |
3 |
0 |
0 |
100% |
| gpaw/response/chiks.py |
GeneralizedSuscetibilityCalculator.add_integrand |
9 |
0 |
0 |
100% |
| gpaw/response/chiks.py |
GeneralizedSuscetibilityCalculator._add_integrand |
2 |
0 |
0 |
100% |
| gpaw/response/chiks.py |
GeneralizedSuscetibilityCalculator.get_add_integrand_method |
6 |
1 |
0 |
83% |
| gpaw/response/chiks.py |
GeneralizedSuscetibilityCalculator._add_integrand_ZgG |
14 |
1 |
0 |
93% |
| gpaw/response/chiks.py |
GeneralizedSuscetibilityCalculator._add_integrand_GZg |
14 |
0 |
0 |
100% |
| gpaw/response/chiks.py |
GeneralizedSuscetibilityCalculator.symmetrize |
6 |
0 |
0 |
100% |
| gpaw/response/chiks.py |
GeneralizedSuscetibilityCalculator.post_process |
7 |
0 |
0 |
100% |
| gpaw/response/chiks.py |
GeneralizedSuscetibilityCalculator.get_info_string |
7 |
0 |
0 |
100% |
| gpaw/response/chiks.py |
ChiKSCalculator.create_matrix_element_calculators |
2 |
0 |
0 |
100% |
| gpaw/response/chiks.py |
SelfEnhancementCalculator.__init__ |
4 |
0 |
0 |
100% |
| gpaw/response/chiks.py |
SelfEnhancementCalculator.create_matrix_element_calculators |
3 |
0 |
0 |
100% |
| gpaw/response/chiks.py |
SelfEnhancementCalculator._set_up_internals |
2 |
0 |
0 |
100% |
| gpaw/response/chiks.py |
get_ecut_to_encompass_centered_sphere |
3 |
0 |
0 |
100% |
| gpaw/response/chiks.py |
get_temporal_part |
2 |
0 |
0 |
100% |
| gpaw/response/chiks.py |
create_get_temporal_part |
5 |
1 |
0 |
80% |
| gpaw/response/chiks.py |
get_double_temporal_part |
7 |
0 |
0 |
100% |
| gpaw/response/chiks.py |
get_pairwise_temporal_part |
15 |
0 |
0 |
100% |
| gpaw/response/chiks.py |
regularize_intraband_transitions |
3 |
0 |
0 |
100% |
| gpaw/response/chiks.py |
get_smat_components |
3 |
0 |
0 |
100% |
| gpaw/response/chiks.py |
smat |
13 |
3 |
0 |
77% |
| gpaw/response/chiks.py |
(no function) |
53 |
0 |
0 |
100% |
| gpaw/response/context.py |
ResponseContext.__init__ |
4 |
0 |
0 |
100% |
| gpaw/response/context.py |
ResponseContext.from_input |
7 |
2 |
0 |
71% |
| gpaw/response/context.py |
ResponseContext.open |
3 |
1 |
0 |
67% |
| gpaw/response/context.py |
ResponseContext.set_timer |
1 |
0 |
0 |
100% |
| gpaw/response/context.py |
ResponseContext.close |
1 |
0 |
0 |
100% |
| gpaw/response/context.py |
ResponseContext.__del__ |
1 |
0 |
0 |
100% |
| gpaw/response/context.py |
ResponseContext.with_txt |
1 |
0 |
0 |
100% |
| gpaw/response/context.py |
ResponseContext.print |
1 |
0 |
0 |
100% |
| gpaw/response/context.py |
ResponseContext.new_txt_and_timer |
4 |
0 |
0 |
100% |
| gpaw/response/context.py |
ResponseContext.write_timer |
2 |
0 |
0 |
100% |
| gpaw/response/context.py |
timer.__init__ |
1 |
0 |
0 |
100% |
| gpaw/response/context.py |
timer.__call__ |
13 |
4 |
0 |
69% |
| gpaw/response/context.py |
timer.__call__.new_method |
9 |
9 |
0 |
0% |
| gpaw/response/context.py |
(no function) |
27 |
0 |
0 |
100% |
| gpaw/response/coulomb_kernels.py |
NewCoulombKernel.__init__ |
1 |
0 |
0 |
100% |
| gpaw/response/coulomb_kernels.py |
NewCoulombKernel.from_qpd |
1 |
0 |
0 |
100% |
| gpaw/response/coulomb_kernels.py |
NewCoulombKernel.get_number_of_plane_waves |
1 |
0 |
0 |
100% |
| gpaw/response/coulomb_kernels.py |
NewCoulombKernel._add_to |
1 |
0 |
0 |
100% |
| gpaw/response/coulomb_kernels.py |
CoulombKernel.__init__ |
5 |
0 |
0 |
100% |
| gpaw/response/coulomb_kernels.py |
CoulombKernel.from_gs |
1 |
0 |
0 |
100% |
| gpaw/response/coulomb_kernels.py |
CoulombKernel.new |
1 |
0 |
0 |
100% |
| gpaw/response/coulomb_kernels.py |
CoulombKernel.description |
3 |
0 |
0 |
100% |
| gpaw/response/coulomb_kernels.py |
CoulombKernel.sqrtV |
1 |
0 |
0 |
100% |
| gpaw/response/coulomb_kernels.py |
CoulombKernel.V |
2 |
0 |
0 |
100% |
| gpaw/response/coulomb_kernels.py |
CoulombKernel.kernel |
1 |
0 |
0 |
100% |
| gpaw/response/coulomb_kernels.py |
CoulombKernel.integrated_kernel |
1 |
0 |
0 |
100% |
| gpaw/response/coulomb_kernels.py |
get_coulomb_kernel |
22 |
3 |
0 |
86% |
| gpaw/response/coulomb_kernels.py |
calculate_2D_truncated_coulomb |
21 |
3 |
0 |
86% |
| gpaw/response/coulomb_kernels.py |
get_integrated_kernel |
43 |
8 |
0 |
81% |
| gpaw/response/coulomb_kernels.py |
feature_removed |
1 |
1 |
0 |
0% |
| gpaw/response/coulomb_kernels.py |
(no function) |
26 |
0 |
0 |
100% |
| gpaw/response/density_kernels.py |
DensityXCKernel.__post_init__ |
1 |
0 |
0 |
100% |
| gpaw/response/density_kernels.py |
DensityXCKernel.from_functional |
7 |
1 |
0 |
86% |
| gpaw/response/density_kernels.py |
DensityXCKernel.__call__ |
2 |
0 |
0 |
100% |
| gpaw/response/density_kernels.py |
AdiabaticDensityKernel.__post_init__ |
3 |
0 |
0 |
100% |
| gpaw/response/density_kernels.py |
AdiabaticDensityKernel.__repr__ |
1 |
0 |
0 |
100% |
| gpaw/response/density_kernels.py |
AdiabaticDensityKernel.calculate |
6 |
0 |
0 |
100% |
| gpaw/response/density_kernels.py |
LRDensityKernel.__post_init__ |
2 |
0 |
0 |
100% |
| gpaw/response/density_kernels.py |
LRDensityKernel.__repr__ |
1 |
0 |
0 |
100% |
| gpaw/response/density_kernels.py |
LRDensityKernel.calculate |
2 |
0 |
0 |
100% |
| gpaw/response/density_kernels.py |
BootstrapDensityKernel.__repr__ |
1 |
0 |
0 |
100% |
| gpaw/response/density_kernels.py |
BootstrapDensityKernel.calculate |
2 |
0 |
0 |
100% |
| gpaw/response/density_kernels.py |
calculate_lr_kernel |
5 |
0 |
0 |
100% |
| gpaw/response/density_kernels.py |
get_bootstrap_kernel |
8 |
4 |
0 |
50% |
| gpaw/response/density_kernels.py |
calculate_bootstrap_kernel |
25 |
2 |
0 |
92% |
| gpaw/response/density_kernels.py |
(no function) |
38 |
0 |
0 |
100% |
| gpaw/response/df.py |
Chi0DysonEquations.__post_init__ |
5 |
0 |
0 |
100% |
| gpaw/response/df.py |
Chi0DysonEquations._normalize |
5 |
1 |
0 |
80% |
| gpaw/response/df.py |
Chi0DysonEquations.get_chi0_wGG |
9 |
0 |
0 |
100% |
| gpaw/response/df.py |
Chi0DysonEquations.get_coulomb_scaled_kernel |
13 |
0 |
0 |
100% |
| gpaw/response/df.py |
Chi0DysonEquations.invert_dyson_like_equation |
6 |
1 |
0 |
83% |
| gpaw/response/df.py |
Chi0DysonEquations.rpa_density_response |
11 |
11 |
0 |
0% |
| gpaw/response/df.py |
Chi0DysonEquations.inverse_dielectric_function |
1 |
0 |
0 |
100% |
| gpaw/response/df.py |
Chi0DysonEquations.calculate_vchi_symm |
9 |
0 |
0 |
100% |
| gpaw/response/df.py |
Chi0DysonEquations.customized_dielectric_function |
7 |
0 |
0 |
100% |
| gpaw/response/df.py |
Chi0DysonEquations.bare_dielectric_function |
4 |
1 |
0 |
75% |
| gpaw/response/df.py |
Chi0DysonEquations.polarizability_operator |
7 |
4 |
0 |
43% |
| gpaw/response/df.py |
DielectricFunctionData.from_chi0_dyson_eqs |
2 |
0 |
0 |
100% |
| gpaw/response/df.py |
DielectricFunctionData._macroscopic_component |
1 |
0 |
0 |
100% |
| gpaw/response/df.py |
DielectricFunctionData.v_G |
1 |
0 |
0 |
100% |
| gpaw/response/df.py |
DielectricFunctionData.dielectric_constant |
1 |
0 |
0 |
100% |
| gpaw/response/df.py |
DielectricFunctionData.eels_spectrum |
4 |
0 |
0 |
100% |
| gpaw/response/df.py |
DielectricFunctionData.polarizability |
4 |
1 |
0 |
75% |
| gpaw/response/df.py |
DielectricFunctionData._polarizability |
4 |
0 |
0 |
100% |
| gpaw/response/df.py |
InverseDielectricFunction.macroscopic_components |
3 |
0 |
0 |
100% |
| gpaw/response/df.py |
InverseDielectricFunction.macroscopic_dielectric_function |
4 |
0 |
0 |
100% |
| gpaw/response/df.py |
InverseDielectricFunction.dynamic_susceptibility |
3 |
0 |
0 |
100% |
| gpaw/response/df.py |
CustomizableDielectricFunction.macroscopic_customized_dielectric_function |
6 |
0 |
0 |
100% |
| gpaw/response/df.py |
CustomizableDielectricFunction.macroscopic_dielectric_function |
3 |
1 |
0 |
67% |
| gpaw/response/df.py |
BareDielectricFunction.macroscopic_components |
3 |
0 |
0 |
100% |
| gpaw/response/df.py |
BareDielectricFunction.macroscopic_bare_dielectric_function |
4 |
0 |
0 |
100% |
| gpaw/response/df.py |
BareDielectricFunction.macroscopic_dielectric_function |
3 |
1 |
0 |
67% |
| gpaw/response/df.py |
BareDielectricFunction.polarizability |
2 |
0 |
0 |
100% |
| gpaw/response/df.py |
DielectricFunctionCalculator.__init__ |
4 |
0 |
0 |
100% |
| gpaw/response/df.py |
DielectricFunctionCalculator.get_chi0 |
7 |
0 |
0 |
100% |
| gpaw/response/df.py |
DielectricFunctionCalculator.get_chi0_dyson_eqs |
6 |
0 |
0 |
100% |
| gpaw/response/df.py |
DielectricFunctionCalculator.get_bare_dielectric_function |
1 |
0 |
0 |
100% |
| gpaw/response/df.py |
DielectricFunctionCalculator.get_literal_dielectric_function |
1 |
0 |
0 |
100% |
| gpaw/response/df.py |
DielectricFunctionCalculator.get_customized_dielectric_function |
1 |
1 |
0 |
0% |
| gpaw/response/df.py |
DielectricFunctionCalculator.get_inverse_dielectric_function |
1 |
0 |
0 |
100% |
| gpaw/response/df.py |
DielectricFunction.__init__ |
7 |
1 |
0 |
86% |
| gpaw/response/df.py |
DielectricFunction.get_frequencies |
1 |
0 |
0 |
100% |
| gpaw/response/df.py |
DielectricFunction.get_dynamic_susceptibility |
4 |
0 |
0 |
100% |
| gpaw/response/df.py |
DielectricFunction.get_dielectric_function |
4 |
0 |
0 |
100% |
| gpaw/response/df.py |
DielectricFunction.get_eels_spectrum |
4 |
0 |
0 |
100% |
| gpaw/response/df.py |
DielectricFunction.get_polarizability |
9 |
0 |
0 |
100% |
| gpaw/response/df.py |
DielectricFunction.get_macroscopic_dielectric_constant |
1 |
0 |
0 |
100% |
| gpaw/response/df.py |
ScalarResponseFunctionSet.arrays |
1 |
0 |
0 |
100% |
| gpaw/response/df.py |
ScalarResponseFunctionSet.unpack |
1 |
0 |
0 |
100% |
| gpaw/response/df.py |
ScalarResponseFunctionSet.write |
2 |
0 |
0 |
100% |
| gpaw/response/df.py |
ScalarResponseFunctionSet.static_limit |
3 |
0 |
0 |
100% |
| gpaw/response/df.py |
write_response_function |
5 |
0 |
0 |
100% |
| gpaw/response/df.py |
read_response_function |
12 |
1 |
0 |
92% |
| gpaw/response/df.py |
(no function) |
107 |
3 |
0 |
97% |
| gpaw/response/dyson.py |
HXCScaling.__init__ |
1 |
0 |
0 |
100% |
| gpaw/response/dyson.py |
HXCScaling.lambd |
1 |
0 |
0 |
100% |
| gpaw/response/dyson.py |
HXCScaling.calculate_scaling |
1 |
0 |
0 |
100% |
| gpaw/response/dyson.py |
PWKernel.nG |
1 |
0 |
0 |
100% |
| gpaw/response/dyson.py |
PWKernel.add_to |
2 |
0 |
0 |
100% |
| gpaw/response/dyson.py |
NoKernel.__init__ |
1 |
0 |
0 |
100% |
| gpaw/response/dyson.py |
NoKernel.from_qpd |
2 |
0 |
0 |
100% |
| gpaw/response/dyson.py |
NoKernel.get_number_of_plane_waves |
1 |
0 |
0 |
100% |
| gpaw/response/dyson.py |
NoKernel._add_to |
1 |
0 |
0 |
100% |
| gpaw/response/dyson.py |
HXCKernel.__post_init__ |
2 |
0 |
0 |
100% |
| gpaw/response/dyson.py |
HXCKernel.get_Khxc_GG |
4 |
0 |
0 |
100% |
| gpaw/response/dyson.py |
DysonSolver.__init__ |
1 |
0 |
0 |
100% |
| gpaw/response/dyson.py |
DysonSolver.__call__ |
8 |
0 |
0 |
100% |
| gpaw/response/dyson.py |
DysonSolver.get_dyson_equations |
5 |
1 |
0 |
80% |
| gpaw/response/dyson.py |
DysonEquations.__init__ |
6 |
0 |
0 |
100% |
| gpaw/response/dyson.py |
DysonEquations.__len__ |
1 |
1 |
0 |
0% |
| gpaw/response/dyson.py |
DysonEquations.invert |
5 |
0 |
0 |
100% |
| gpaw/response/dyson.py |
DysonEquationsWithKernel.__init__ |
4 |
0 |
0 |
100% |
| gpaw/response/dyson.py |
DysonEquationsWithKernel.__getitem__ |
3 |
0 |
0 |
100% |
| gpaw/response/dyson.py |
DysonEquationsWithXi.__init__ |
6 |
0 |
0 |
100% |
| gpaw/response/dyson.py |
DysonEquationsWithXi.__getitem__ |
1 |
0 |
0 |
100% |
| gpaw/response/dyson.py |
DysonEquation.__init__ |
3 |
0 |
0 |
100% |
| gpaw/response/dyson.py |
DysonEquation.invert |
4 |
0 |
0 |
100% |
| gpaw/response/dyson.py |
(no function) |
53 |
0 |
0 |
100% |
| gpaw/response/frequencies.py |
FrequencyDescriptor.__init__ |
1 |
0 |
0 |
100% |
| gpaw/response/frequencies.py |
FrequencyDescriptor.__len__ |
1 |
0 |
0 |
100% |
| gpaw/response/frequencies.py |
FrequencyDescriptor.__repr__ |
3 |
0 |
0 |
100% |
| gpaw/response/frequencies.py |
FrequencyDescriptor.from_array_or_dict |
7 |
0 |
0 |
100% |
| gpaw/response/frequencies.py |
ComplexFrequencyDescriptor.__init__ |
3 |
0 |
0 |
100% |
| gpaw/response/frequencies.py |
ComplexFrequencyDescriptor.__len__ |
1 |
0 |
0 |
100% |
| gpaw/response/frequencies.py |
ComplexFrequencyDescriptor.almost_eq |
3 |
3 |
0 |
0% |
| gpaw/response/frequencies.py |
ComplexFrequencyDescriptor.from_array |
1 |
0 |
0 |
100% |
| gpaw/response/frequencies.py |
ComplexFrequencyDescriptor.upper_half_plane |
1 |
0 |
0 |
100% |
| gpaw/response/frequencies.py |
ComplexFrequencyDescriptor.horizontal_contour |
1 |
0 |
0 |
100% |
| gpaw/response/frequencies.py |
ComplexFrequencyDescriptor.omega_w |
2 |
0 |
0 |
100% |
| gpaw/response/frequencies.py |
FrequencyGridDescriptor.get_index_range |
9 |
0 |
0 |
100% |
| gpaw/response/frequencies.py |
NonLinearFrequencyDescriptor.__init__ |
13 |
0 |
0 |
100% |
| gpaw/response/frequencies.py |
NonLinearFrequencyDescriptor.get_floor_index |
10 |
1 |
0 |
90% |
| gpaw/response/frequencies.py |
NonLinearFrequencyDescriptor.get_index_range |
11 |
0 |
0 |
100% |
| gpaw/response/frequencies.py |
(no function) |
30 |
0 |
0 |
100% |
| gpaw/response/fxc_kernels.py |
FXCKernel.__init__ |
5 |
0 |
0 |
100% |
| gpaw/response/fxc_kernels.py |
FXCKernel.get_number_of_plane_waves |
2 |
0 |
0 |
100% |
| gpaw/response/fxc_kernels.py |
FXCKernel._add_to |
1 |
0 |
0 |
100% |
| gpaw/response/fxc_kernels.py |
FXCKernel.get_Kxc_GG |
3 |
0 |
0 |
100% |
| gpaw/response/fxc_kernels.py |
FXCKernel.save |
3 |
0 |
0 |
100% |
| gpaw/response/fxc_kernels.py |
FXCKernel.from_file |
4 |
0 |
0 |
100% |
| gpaw/response/fxc_kernels.py |
AdiabaticFXCCalculator.__init__ |
3 |
0 |
0 |
100% |
| gpaw/response/fxc_kernels.py |
AdiabaticFXCCalculator.from_rshe_parameters |
1 |
0 |
0 |
100% |
| gpaw/response/fxc_kernels.py |
AdiabaticFXCCalculator.__call__ |
8 |
0 |
0 |
100% |
| gpaw/response/fxc_kernels.py |
AdiabaticFXCCalculator.create_unfoldable_Q_dG_mapping |
6 |
0 |
0 |
100% |
| gpaw/response/fxc_kernels.py |
AdiabaticFXCCalculator.create_Q_dG_map |
9 |
0 |
0 |
100% |
| gpaw/response/fxc_kernels.py |
create_add_fxc |
7 |
1 |
0 |
86% |
| gpaw/response/fxc_kernels.py |
calculate_dG_GGv |
6 |
0 |
0 |
100% |
| gpaw/response/fxc_kernels.py |
(no function) |
27 |
0 |
0 |
100% |
| gpaw/response/g0w0.py |
compare_inputs |
20 |
6 |
0 |
70% |
| gpaw/response/g0w0.py |
Sigma.__init__ |
8 |
0 |
0 |
100% |
| gpaw/response/g0w0.py |
Sigma.sum |
2 |
0 |
0 |
100% |
| gpaw/response/g0w0.py |
Sigma.__iadd__ |
4 |
0 |
0 |
100% |
| gpaw/response/g0w0.py |
Sigma.validate_inputs |
3 |
1 |
0 |
67% |
| gpaw/response/g0w0.py |
Sigma.fromdict |
5 |
0 |
0 |
100% |
| gpaw/response/g0w0.py |
Sigma.todict |
1 |
0 |
0 |
100% |
| gpaw/response/g0w0.py |
G0W0Outputs.__init__ |
10 |
0 |
0 |
100% |
| gpaw/response/g0w0.py |
G0W0Outputs.extrapolate |
27 |
0 |
0 |
100% |
| gpaw/response/g0w0.py |
G0W0Outputs.get_results_eV |
7 |
0 |
0 |
100% |
| gpaw/response/g0w0.py |
QSymmetryOp.__init__ |
3 |
0 |
0 |
100% |
| gpaw/response/g0w0.py |
QSymmetryOp.apply |
1 |
0 |
0 |
100% |
| gpaw/response/g0w0.py |
QSymmetryOp.check_q_Q_symmetry |
2 |
0 |
0 |
100% |
| gpaw/response/g0w0.py |
QSymmetryOp.get_M_vv |
1 |
0 |
0 |
100% |
| gpaw/response/g0w0.py |
QSymmetryOp.get_symops |
11 |
0 |
0 |
100% |
| gpaw/response/g0w0.py |
QSymmetryOp.get_symop_from_kpair |
11 |
0 |
0 |
100% |
| gpaw/response/g0w0.py |
QSymmetryOp.apply_symop_q |
5 |
0 |
0 |
100% |
| gpaw/response/g0w0.py |
get_nmG |
8 |
0 |
0 |
100% |
| gpaw/response/g0w0.py |
get_max_nblocks |
14 |
2 |
0 |
86% |
| gpaw/response/g0w0.py |
get_frequencies |
8 |
3 |
0 |
62% |
| gpaw/response/g0w0.py |
choose_ecut_things |
11 |
1 |
0 |
91% |
| gpaw/response/g0w0.py |
select_kpts |
15 |
1 |
0 |
93% |
| gpaw/response/g0w0.py |
PairDistribution.__init__ |
5 |
0 |
0 |
100% |
| gpaw/response/g0w0.py |
PairDistribution.kpt_pairs_by_q |
6 |
0 |
0 |
100% |
| gpaw/response/g0w0.py |
distribute_k_points_and_bands |
27 |
1 |
0 |
96% |
| gpaw/response/g0w0.py |
G0W0Calculator.__init__ |
48 |
1 |
0 |
98% |
| gpaw/response/g0w0.py |
G0W0Calculator.print_parameters |
14 |
1 |
0 |
93% |
| gpaw/response/g0w0.py |
G0W0Calculator.get_eps_and_occs |
11 |
0 |
0 |
100% |
| gpaw/response/g0w0.py |
G0W0Calculator.calculate |
12 |
3 |
0 |
75% |
| gpaw/response/g0w0.py |
G0W0Calculator.postprocess |
5 |
0 |
0 |
100% |
| gpaw/response/g0w0.py |
G0W0Calculator.read_sigmas |
4 |
1 |
0 |
75% |
| gpaw/response/g0w0.py |
G0W0Calculator._read_sigmas |
9 |
0 |
0 |
100% |
| gpaw/response/g0w0.py |
G0W0Calculator.get_sigmas_dict |
2 |
0 |
0 |
100% |
| gpaw/response/g0w0.py |
G0W0Calculator.postprocess_single |
2 |
0 |
0 |
100% |
| gpaw/response/g0w0.py |
G0W0Calculator.savepckl |
8 |
0 |
0 |
100% |
| gpaw/response/g0w0.py |
G0W0Calculator.nqpts |
1 |
1 |
0 |
0% |
| gpaw/response/g0w0.py |
G0W0Calculator.calculate_q |
41 |
0 |
0 |
100% |
| gpaw/response/g0w0.py |
G0W0Calculator.check |
14 |
0 |
0 |
100% |
| gpaw/response/g0w0.py |
G0W0Calculator.calculate_q_points |
43 |
3 |
0 |
93% |
| gpaw/response/g0w0.py |
G0W0Calculator.calculate_q_point |
23 |
1 |
0 |
96% |
| gpaw/response/g0w0.py |
G0W0Calculator.get_validation_inputs |
1 |
0 |
0 |
100% |
| gpaw/response/g0w0.py |
G0W0Calculator.calculate_w |
13 |
0 |
0 |
100% |
| gpaw/response/g0w0.py |
G0W0Calculator.calculate_vxc_and_exx |
1 |
0 |
0 |
100% |
| gpaw/response/g0w0.py |
G0W0Calculator.print_results |
16 |
0 |
0 |
100% |
| gpaw/response/g0w0.py |
G0W0Calculator.print_results.actually_print_results |
2 |
0 |
0 |
100% |
| gpaw/response/g0w0.py |
G0W0Calculator.calculate_g0w0_outputs |
4 |
0 |
0 |
100% |
| gpaw/response/g0w0.py |
choose_bands |
7 |
1 |
0 |
86% |
| gpaw/response/g0w0.py |
G0W0.__init__ |
42 |
4 |
0 |
90% |
| gpaw/response/g0w0.py |
G0W0.results_GW |
2 |
2 |
0 |
0% |
| gpaw/response/g0w0.py |
G0W0.results |
1 |
0 |
0 |
100% |
| gpaw/response/g0w0.py |
EXXVXCCalculator.__init__ |
2 |
0 |
0 |
100% |
| gpaw/response/g0w0.py |
EXXVXCCalculator.calculate |
2 |
0 |
0 |
100% |
| gpaw/response/g0w0.py |
(no function) |
96 |
0 |
0 |
100% |
| gpaw/response/g0w0_kernels.py |
G0W0Kernel.__init__ |
4 |
0 |
0 |
100% |
| gpaw/response/g0w0_kernels.py |
G0W0Kernel.calculate |
3 |
1 |
0 |
67% |
| gpaw/response/g0w0_kernels.py |
calculate_spinkernel |
21 |
0 |
0 |
100% |
| gpaw/response/g0w0_kernels.py |
(no function) |
10 |
0 |
0 |
100% |
| gpaw/response/gamma_int.py |
GammaIntegral.__init__ |
3 |
0 |
0 |
100% |
| gpaw/response/gamma_int.py |
GammaIntegral.__len__ |
1 |
1 |
0 |
0% |
| gpaw/response/gamma_int.py |
GammaIntegral.__getitem__ |
4 |
0 |
0 |
100% |
| gpaw/response/gamma_int.py |
GammaIntegral.__getitem__.chi0_mapping |
5 |
0 |
0 |
100% |
| gpaw/response/gamma_int.py |
GammaIntegralDomain.__init__ |
8 |
0 |
0 |
100% |
| gpaw/response/gamma_int.py |
GammaIntegralDomain.__len__ |
1 |
1 |
0 |
0% |
| gpaw/response/gamma_int.py |
GammaIntegralDomain.__getitem__ |
1 |
0 |
0 |
100% |
| gpaw/response/gamma_int.py |
(no function) |
11 |
0 |
0 |
100% |
| gpaw/response/goldstone.py |
GoldstoneScaling._calculate_scaling |
10 |
0 |
0 |
100% |
| gpaw/response/goldstone.py |
GoldstoneScaling.check_descriptors |
2 |
1 |
0 |
50% |
| gpaw/response/goldstone.py |
FMGoldstoneScaling.find_goldstone_frequency |
3 |
0 |
0 |
100% |
| gpaw/response/goldstone.py |
FMGoldstoneScaling.find_goldstone_scaling |
1 |
0 |
0 |
100% |
| gpaw/response/goldstone.py |
NewFMGoldstoneScaling.__init__ |
2 |
0 |
0 |
100% |
| gpaw/response/goldstone.py |
NewFMGoldstoneScaling.from_xi_calculator |
1 |
0 |
0 |
100% |
| gpaw/response/goldstone.py |
NewFMGoldstoneScaling.calculate_m |
5 |
0 |
0 |
100% |
| gpaw/response/goldstone.py |
NewFMGoldstoneScaling.find_goldstone_scaling |
5 |
0 |
0 |
100% |
| gpaw/response/goldstone.py |
NewFMGoldstoneScaling.find_goldstone_scaling.acoustic_antispectrum |
1 |
0 |
0 |
100% |
| gpaw/response/goldstone.py |
RefinedFMGoldstoneScaling.__init__ |
2 |
0 |
0 |
100% |
| gpaw/response/goldstone.py |
RefinedFMGoldstoneScaling.from_xi_calculator |
1 |
0 |
0 |
100% |
| gpaw/response/goldstone.py |
RefinedFMGoldstoneScaling.m_G |
3 |
0 |
0 |
100% |
| gpaw/response/goldstone.py |
RefinedFMGoldstoneScaling._calculate_scaling |
13 |
0 |
0 |
100% |
| gpaw/response/goldstone.py |
RefinedFMGoldstoneScaling._calculate_scaling.near_acoustic_spectrum |
7 |
0 |
0 |
100% |
| gpaw/response/goldstone.py |
RefinedFMGoldstoneScaling._calculate_scaling.acoustic_magnon_frequency |
3 |
0 |
0 |
100% |
| gpaw/response/goldstone.py |
RefinedFMGoldstoneScaling._calculate_scaling.cost_function |
1 |
0 |
0 |
100% |
| gpaw/response/goldstone.py |
AFMGoldstoneScaling.find_goldstone_frequency |
4 |
0 |
0 |
100% |
| gpaw/response/goldstone.py |
AFMGoldstoneScaling.find_goldstone_scaling |
1 |
0 |
0 |
100% |
| gpaw/response/goldstone.py |
find_fm_goldstone_scaling |
3 |
0 |
0 |
100% |
| gpaw/response/goldstone.py |
find_fm_goldstone_scaling.is_converged |
1 |
0 |
0 |
100% |
| gpaw/response/goldstone.py |
find_afm_goldstone_scaling |
3 |
0 |
0 |
100% |
| gpaw/response/goldstone.py |
find_afm_goldstone_scaling.is_converged |
1 |
0 |
0 |
100% |
| gpaw/response/goldstone.py |
find_root |
11 |
1 |
0 |
91% |
| gpaw/response/goldstone.py |
calculate_macroscopic_kappa |
2 |
0 |
0 |
100% |
| gpaw/response/goldstone.py |
calculate_macroscopic_spectrum |
2 |
0 |
0 |
100% |
| gpaw/response/goldstone.py |
calculate_acoustic_spectrum |
3 |
0 |
0 |
100% |
| gpaw/response/goldstone.py |
(no function) |
47 |
1 |
0 |
98% |
| gpaw/response/groundstate.py |
PAWDatasetCollection.__init__ |
12 |
0 |
0 |
100% |
| gpaw/response/groundstate.py |
ResponseGroundStateAdapter.__init__ |
25 |
0 |
0 |
100% |
| gpaw/response/groundstate.py |
ResponseGroundStateAdapter.from_input |
7 |
3 |
0 |
57% |
| gpaw/response/groundstate.py |
ResponseGroundStateAdapter.from_gpw_file |
5 |
0 |
0 |
100% |
| gpaw/response/groundstate.py |
ResponseGroundStateAdapter.pd |
1 |
0 |
0 |
100% |
| gpaw/response/groundstate.py |
ResponseGroundStateAdapter.is_parallelized |
1 |
0 |
0 |
100% |
| gpaw/response/groundstate.py |
ResponseGroundStateAdapter.global_pd |
4 |
0 |
0 |
100% |
| gpaw/response/groundstate.py |
ResponseGroundStateAdapter.get_occupations_width |
4 |
0 |
0 |
100% |
| gpaw/response/groundstate.py |
ResponseGroundStateAdapter.cd |
1 |
0 |
0 |
100% |
| gpaw/response/groundstate.py |
ResponseGroundStateAdapter.nt_sR |
1 |
0 |
0 |
100% |
| gpaw/response/groundstate.py |
ResponseGroundStateAdapter.nt_sr |
3 |
0 |
0 |
100% |
| gpaw/response/groundstate.py |
ResponseGroundStateAdapter.n_sR |
1 |
0 |
0 |
100% |
| gpaw/response/groundstate.py |
ResponseGroundStateAdapter.n_sr |
1 |
0 |
0 |
100% |
| gpaw/response/groundstate.py |
ResponseGroundStateAdapter.D_asp |
1 |
0 |
0 |
100% |
| gpaw/response/groundstate.py |
ResponseGroundStateAdapter.get_pseudo_density |
5 |
1 |
0 |
80% |
| gpaw/response/groundstate.py |
ResponseGroundStateAdapter.get_all_electron_density |
5 |
1 |
0 |
80% |
| gpaw/response/groundstate.py |
ResponseGroundStateAdapter.hacky_all_electron_density |
3 |
0 |
0 |
100% |
| gpaw/response/groundstate.py |
ResponseGroundStateAdapter.hamiltonian |
1 |
0 |
0 |
100% |
| gpaw/response/groundstate.py |
ResponseGroundStateAdapter.density |
1 |
0 |
0 |
100% |
| gpaw/response/groundstate.py |
ResponseGroundStateAdapter.soc_eigenstates |
2 |
0 |
0 |
100% |
| gpaw/response/groundstate.py |
ResponseGroundStateAdapter.xcname |
1 |
0 |
0 |
100% |
| gpaw/response/groundstate.py |
ResponseGroundStateAdapter.get_xc_difference |
1 |
1 |
0 |
0% |
| gpaw/response/groundstate.py |
ResponseGroundStateAdapter.get_wave_function_array |
1 |
0 |
0 |
100% |
| gpaw/response/groundstate.py |
ResponseGroundStateAdapter.pair_density_paw_corrections |
2 |
0 |
0 |
100% |
| gpaw/response/groundstate.py |
ResponseGroundStateAdapter.matrix_element_paw_corrections |
2 |
0 |
0 |
100% |
| gpaw/response/groundstate.py |
ResponseGroundStateAdapter.get_pos_av |
1 |
1 |
0 |
0% |
| gpaw/response/groundstate.py |
ResponseGroundStateAdapter.count_occupied_bands |
6 |
0 |
0 |
100% |
| gpaw/response/groundstate.py |
ResponseGroundStateAdapter._count_occupied_bands |
7 |
0 |
0 |
100% |
| gpaw/response/groundstate.py |
ResponseGroundStateAdapter.get_band_transitions |
19 |
1 |
0 |
95% |
| gpaw/response/groundstate.py |
ResponseGroundStateAdapter.get_eigenvalue_range |
7 |
0 |
0 |
100% |
| gpaw/response/groundstate.py |
ResponseGroundStateAdapter.nbands |
1 |
0 |
0 |
100% |
| gpaw/response/groundstate.py |
ResponseGroundStateAdapter.metallic |
1 |
0 |
0 |
100% |
| gpaw/response/groundstate.py |
ResponseGroundStateAdapter.ibzq_qc |
5 |
5 |
0 |
0% |
| gpaw/response/groundstate.py |
ResponseGroundStateAdapter.get_ibz_vertices |
3 |
0 |
0 |
100% |
| gpaw/response/groundstate.py |
ResponseGroundStateAdapter.get_aug_radii |
1 |
0 |
0 |
100% |
| gpaw/response/groundstate.py |
ResponseGroundStateAdapter.micro_setups |
5 |
0 |
0 |
100% |
| gpaw/response/groundstate.py |
ResponseGroundStateAdapter.atomrotations |
1 |
0 |
0 |
100% |
| gpaw/response/groundstate.py |
ResponseGroundStateAdapter.kpoints |
2 |
0 |
0 |
100% |
| gpaw/response/groundstate.py |
CellDescriptor.nonperiodic_hypervolume |
6 |
0 |
0 |
100% |
| gpaw/response/groundstate.py |
ResponsePAWDataset.__init__ |
11 |
0 |
0 |
100% |
| gpaw/response/groundstate.py |
(no function) |
86 |
1 |
0 |
99% |
| gpaw/response/gw_bands.py |
GWBands.__init__ |
11 |
11 |
0 |
0% |
| gpaw/response/gw_bands.py |
GWBands.find_k_along_path |
54 |
54 |
0 |
0% |
| gpaw/response/gw_bands.py |
GWBands.get_dft_eigenvalues |
4 |
4 |
0 |
0% |
| gpaw/response/gw_bands.py |
GWBands.get_vacuum_level |
7 |
7 |
0 |
0% |
| gpaw/response/gw_bands.py |
GWBands.get_spinorbit_corrections |
14 |
14 |
0 |
0% |
| gpaw/response/gw_bands.py |
GWBands.get_gw_bands |
48 |
48 |
0 |
0% |
| gpaw/response/gw_bands.py |
(no function) |
14 |
0 |
0 |
100% |
| gpaw/response/heisenberg.py |
calculate_single_site_magnon_energies |
6 |
0 |
0 |
100% |
| gpaw/response/heisenberg.py |
calculate_fm_magnon_energies |
8 |
0 |
0 |
100% |
| gpaw/response/heisenberg.py |
generate_fm_dynamic_spin_wave_matrix |
17 |
0 |
0 |
100% |
| gpaw/response/heisenberg.py |
get_q0_index |
4 |
1 |
0 |
75% |
| gpaw/response/heisenberg.py |
(no function) |
5 |
0 |
0 |
100% |
| gpaw/response/hilbert.py |
HilbertTransform.__init__ |
6 |
0 |
0 |
100% |
| gpaw/response/hilbert.py |
HilbertTransform.H |
10 |
0 |
0 |
100% |
| gpaw/response/hilbert.py |
HilbertTransform.__call__ |
8 |
0 |
0 |
100% |
| gpaw/response/hilbert.py |
GWHilbertTransforms.__init__ |
3 |
0 |
0 |
100% |
| gpaw/response/hilbert.py |
GWHilbertTransforms.__call__ |
6 |
0 |
0 |
100% |
| gpaw/response/hilbert.py |
(no function) |
9 |
0 |
0 |
100% |
| gpaw/response/integrators.py |
Integrand.matrix_element |
1 |
1 |
0 |
0% |
| gpaw/response/integrators.py |
Integrand.eigenvalues |
1 |
1 |
0 |
0% |
| gpaw/response/integrators.py |
czher |
3 |
0 |
0 |
100% |
| gpaw/response/integrators.py |
Integrator.__init__ |
4 |
0 |
0 |
100% |
| gpaw/response/integrators.py |
Integrator.mydomain |
3 |
0 |
0 |
100% |
| gpaw/response/integrators.py |
Integrator.integrate |
1 |
1 |
0 |
0% |
| gpaw/response/integrators.py |
PointIntegrator.integrate |
22 |
1 |
0 |
95% |
| gpaw/response/integrators.py |
GenericUpdate.__init__ |
3 |
0 |
0 |
100% |
| gpaw/response/integrators.py |
GenericUpdate.run |
10 |
1 |
0 |
90% |
| gpaw/response/integrators.py |
Hermitian.__init__ |
2 |
0 |
0 |
100% |
| gpaw/response/integrators.py |
Hermitian.run |
10 |
3 |
0 |
70% |
| gpaw/response/integrators.py |
Hilbert.__init__ |
2 |
0 |
0 |
100% |
| gpaw/response/integrators.py |
Hilbert.run |
36 |
2 |
0 |
94% |
| gpaw/response/integrators.py |
Intraband.run |
3 |
0 |
0 |
100% |
| gpaw/response/integrators.py |
OpticalLimit.__init__ |
2 |
0 |
0 |
100% |
| gpaw/response/integrators.py |
OpticalLimit.run |
7 |
0 |
0 |
100% |
| gpaw/response/integrators.py |
HermitianOpticalLimit.__init__ |
1 |
0 |
0 |
100% |
| gpaw/response/integrators.py |
HermitianOpticalLimit.run |
5 |
0 |
0 |
100% |
| gpaw/response/integrators.py |
HilbertOpticalLimit.__init__ |
1 |
0 |
0 |
100% |
| gpaw/response/integrators.py |
HilbertOpticalLimit.run |
18 |
1 |
0 |
94% |
| gpaw/response/integrators.py |
Point.__init__ |
3 |
0 |
0 |
100% |
| gpaw/response/integrators.py |
Domain.__init__ |
2 |
0 |
0 |
100% |
| gpaw/response/integrators.py |
Domain.nkpts |
1 |
0 |
0 |
100% |
| gpaw/response/integrators.py |
Domain.nspins |
1 |
0 |
0 |
100% |
| gpaw/response/integrators.py |
Domain.__len__ |
1 |
0 |
0 |
100% |
| gpaw/response/integrators.py |
Domain.__getitem__ |
2 |
0 |
0 |
100% |
| gpaw/response/integrators.py |
Domain.tesselation |
3 |
0 |
0 |
100% |
| gpaw/response/integrators.py |
KPointTesselation.__init__ |
1 |
0 |
0 |
100% |
| gpaw/response/integrators.py |
KPointTesselation.bzk_kc |
1 |
0 |
0 |
100% |
| gpaw/response/integrators.py |
KPointTesselation.simplex_volumes |
7 |
0 |
0 |
100% |
| gpaw/response/integrators.py |
KPointTesselation.tetrahedron_weight |
5 |
0 |
0 |
100% |
| gpaw/response/integrators.py |
KPointTesselation.pts_k |
10 |
0 |
0 |
100% |
| gpaw/response/integrators.py |
KPointTesselation.nkpts |
1 |
0 |
0 |
100% |
| gpaw/response/integrators.py |
KPointTesselation.neighbours_k |
1 |
0 |
0 |
100% |
| gpaw/response/integrators.py |
TetrahedronIntegrator.integrate |
28 |
0 |
0 |
100% |
| gpaw/response/integrators.py |
HilbertTetrahedron.__init__ |
1 |
0 |
0 |
100% |
| gpaw/response/integrators.py |
HilbertTetrahedron.run |
9 |
2 |
0 |
78% |
| gpaw/response/integrators.py |
HilbertOpticalLimitTetrahedron.run |
7 |
0 |
0 |
100% |
| gpaw/response/integrators.py |
(no function) |
97 |
0 |
0 |
100% |
| gpaw/response/jdos.py |
JDOS.__init__ |
2 |
0 |
0 |
100% |
| gpaw/response/jdos.py |
JDOS.zeros |
2 |
0 |
0 |
100% |
| gpaw/response/jdos.py |
JDOSCalculator.__init__ |
6 |
0 |
0 |
100% |
| gpaw/response/jdos.py |
JDOSCalculator.calculate |
8 |
0 |
0 |
100% |
| gpaw/response/jdos.py |
JDOSCalculator.add_integrand |
8 |
0 |
0 |
100% |
| gpaw/response/jdos.py |
JDOSCalculator.get_info_string |
2 |
0 |
0 |
100% |
| gpaw/response/jdos.py |
(no function) |
13 |
0 |
0 |
100% |
| gpaw/response/kpoints.py |
KPointFinder.__init__ |
1 |
0 |
0 |
100% |
| gpaw/response/kpoints.py |
KPointFinder._round |
1 |
0 |
0 |
100% |
| gpaw/response/kpoints.py |
KPointFinder.find |
4 |
1 |
0 |
75% |
| gpaw/response/kpoints.py |
ResponseKPointGrid.__init__ |
1 |
0 |
0 |
100% |
| gpaw/response/kpoints.py |
ResponseKPointGrid.kptfinder |
1 |
0 |
0 |
100% |
| gpaw/response/kpoints.py |
KPointDomain.__init__ |
2 |
0 |
0 |
100% |
| gpaw/response/kpoints.py |
KPointDomain.__len__ |
1 |
0 |
0 |
100% |
| gpaw/response/kpoints.py |
KPointDomain.k_kv |
1 |
0 |
0 |
100% |
| gpaw/response/kpoints.py |
KPointDomainGenerator.__init__ |
3 |
0 |
0 |
100% |
| gpaw/response/kpoints.py |
KPointDomainGenerator.how_many_symmetries |
1 |
0 |
0 |
100% |
| gpaw/response/kpoints.py |
KPointDomainGenerator.get_infostring |
6 |
0 |
0 |
100% |
| gpaw/response/kpoints.py |
KPointDomainGenerator.group_kpoints |
11 |
0 |
0 |
100% |
| gpaw/response/kpoints.py |
KPointDomainGenerator.get_kpt_domain |
2 |
0 |
0 |
100% |
| gpaw/response/kpoints.py |
KPointDomainGenerator.get_tetrahedron_ikpts |
14 |
0 |
0 |
100% |
| gpaw/response/kpoints.py |
KPointDomainGenerator.get_tetrahedron_kpt_domain |
5 |
0 |
0 |
100% |
| gpaw/response/kpoints.py |
KPointDomainGenerator.get_kpoint_weight |
7 |
0 |
0 |
100% |
| gpaw/response/kpoints.py |
KPointDomainGenerator.unfold_ibz_kpoint |
4 |
0 |
0 |
100% |
| gpaw/response/kpoints.py |
(no function) |
28 |
0 |
0 |
100% |
| gpaw/response/kspair.py |
IrreducibleKPoint.__init__ |
6 |
0 |
0 |
100% |
| gpaw/response/kspair.py |
IrreducibleKPoint.nh |
5 |
0 |
0 |
100% |
| gpaw/response/kspair.py |
IrreducibleKPoint.eps_myt |
1 |
0 |
0 |
100% |
| gpaw/response/kspair.py |
IrreducibleKPoint.f_myt |
1 |
0 |
0 |
100% |
| gpaw/response/kspair.py |
IrreducibleKPoint.projectors_in_transition_index |
3 |
0 |
0 |
100% |
| gpaw/response/kspair.py |
KohnShamKPointPair.__init__ |
6 |
0 |
0 |
100% |
| gpaw/response/kspair.py |
KohnShamKPointPair.get_all |
1 |
0 |
0 |
100% |
| gpaw/response/kspair.py |
KohnShamKPointPair.deps_myt |
1 |
0 |
0 |
100% |
| gpaw/response/kspair.py |
KohnShamKPointPair.df_myt |
1 |
0 |
0 |
100% |
| gpaw/response/kspair.py |
KohnShamKPointPair.get_local_band_indices |
4 |
0 |
0 |
100% |
| gpaw/response/kspair.py |
KohnShamKPointPair.get_local_spin_indices |
4 |
0 |
0 |
100% |
| gpaw/response/kspair.py |
KohnShamKPointPair.get_local_intraband_mask |
2 |
0 |
0 |
100% |
| gpaw/response/kspair.py |
KohnShamKPointPairExtractor.__init__ |
12 |
2 |
0 |
83% |
| gpaw/response/kspair.py |
KohnShamKPointPairExtractor.get_kpoint_pairs |
9 |
1 |
0 |
89% |
| gpaw/response/kspair.py |
KohnShamKPointPairExtractor.get_kpoints |
9 |
1 |
0 |
89% |
| gpaw/response/kspair.py |
KohnShamKPointPairExtractor.extract_kptdata |
3 |
1 |
0 |
67% |
| gpaw/response/kspair.py |
KohnShamKPointPairExtractor.parallel_extract_kptdata |
19 |
19 |
0 |
0% |
| gpaw/response/kspair.py |
KohnShamKPointPairExtractor.get_parallel_extraction_protocol |
74 |
74 |
0 |
0% |
| gpaw/response/kspair.py |
KohnShamKPointPairExtractor.create_get_extraction_info |
3 |
3 |
0 |
0% |
| gpaw/response/kspair.py |
KohnShamKPointPairExtractor.get_serial_extraction_info |
4 |
4 |
0 |
0% |
| gpaw/response/kspair.py |
KohnShamKPointPairExtractor.get_parallel_extraction_info |
11 |
11 |
0 |
0% |
| gpaw/response/kspair.py |
KohnShamKPointPairExtractor.allocate_transfer_arrays |
32 |
32 |
0 |
0% |
| gpaw/response/kspair.py |
KohnShamKPointPairExtractor.map_who_has |
2 |
2 |
0 |
0% |
| gpaw/response/kspair.py |
KohnShamKPointPairExtractor.extract_wfs_data |
5 |
5 |
0 |
0% |
| gpaw/response/kspair.py |
KohnShamKPointPairExtractor.add_wave_function |
5 |
5 |
0 |
0% |
| gpaw/response/kspair.py |
KohnShamKPointPairExtractor.distribute_extracted_data |
25 |
25 |
0 |
0% |
| gpaw/response/kspair.py |
KohnShamKPointPairExtractor.collect_kptdata |
16 |
16 |
0 |
0% |
| gpaw/response/kspair.py |
KohnShamKPointPairExtractor.new_projections |
2 |
0 |
0 |
100% |
| gpaw/response/kspair.py |
KohnShamKPointPairExtractor.new_wfs |
2 |
0 |
0 |
100% |
| gpaw/response/kspair.py |
KohnShamKPointPairExtractor.serial_extract_kptdata |
20 |
1 |
0 |
95% |
| gpaw/response/kspair.py |
KohnShamKPointPairExtractor.get_serial_extraction_protocol |
25 |
0 |
0 |
100% |
| gpaw/response/kspair.py |
(no function) |
55 |
0 |
0 |
100% |
| gpaw/response/localft.py |
LocalFTCalculator.__init__ |
8 |
2 |
0 |
75% |
| gpaw/response/localft.py |
LocalFTCalculator.from_rshe_parameters |
3 |
0 |
0 |
100% |
| gpaw/response/localft.py |
LocalFTCalculator.__call__ |
4 |
0 |
0 |
100% |
| gpaw/response/localft.py |
LocalFTCalculator.calculate |
1 |
1 |
0 |
0% |
| gpaw/response/localft.py |
LocalFTCalculator.equivalent_real_space_grids |
3 |
0 |
0 |
100% |
| gpaw/response/localft.py |
LocalFTCalculator.get_electron_density |
11 |
3 |
0 |
73% |
| gpaw/response/localft.py |
LocalFTCalculator.get_gridrefinement |
6 |
1 |
0 |
83% |
| gpaw/response/localft.py |
LocalGridFTCalculator.calculate |
3 |
0 |
0 |
100% |
| gpaw/response/localft.py |
LocalGridFTCalculator._calculate |
5 |
0 |
0 |
100% |
| gpaw/response/localft.py |
LocalGridFTCalculator.get_all_electron_density |
2 |
0 |
0 |
100% |
| gpaw/response/localft.py |
LocalPAWFTCalculator.__init__ |
2 |
0 |
0 |
100% |
| gpaw/response/localft.py |
LocalPAWFTCalculator.calculate |
4 |
0 |
0 |
100% |
| gpaw/response/localft.py |
LocalPAWFTCalculator.get_pseudo_density |
1 |
0 |
0 |
100% |
| gpaw/response/localft.py |
LocalPAWFTCalculator.extract_atom_centered_quantities |
3 |
0 |
0 |
100% |
| gpaw/response/localft.py |
MicroSetup.__init__ |
4 |
0 |
0 |
100% |
| gpaw/response/localft.py |
MicroSetup.evaluate_function |
5 |
0 |
0 |
100% |
| gpaw/response/localft.py |
MicroSetup.evaluate_paw_correction |
13 |
0 |
0 |
100% |
| gpaw/response/localft.py |
MicroSetup.expand_function |
2 |
0 |
0 |
100% |
| gpaw/response/localft.py |
MicroSetup.expand_paw_correction |
2 |
0 |
0 |
100% |
| gpaw/response/localft.py |
MicroSetup.expand |
1 |
0 |
0 |
100% |
| gpaw/response/localft.py |
extract_micro_setup |
4 |
0 |
0 |
100% |
| gpaw/response/localft.py |
calculate_atom_centered_densities |
12 |
0 |
0 |
100% |
| gpaw/response/localft.py |
LocalPAWFTEngine.__init__ |
4 |
0 |
0 |
100% |
| gpaw/response/localft.py |
LocalPAWFTEngine.calculate |
4 |
0 |
0 |
100% |
| gpaw/response/localft.py |
LocalPAWFTEngine.calculate_pseudo_contribution |
5 |
0 |
0 |
100% |
| gpaw/response/localft.py |
LocalPAWFTEngine.calculate_paw_corrections |
11 |
0 |
0 |
100% |
| gpaw/response/localft.py |
LocalPAWFTEngine._distribute_correction |
5 |
0 |
0 |
100% |
| gpaw/response/localft.py |
LocalPAWFTEngine._add_paw_correction |
11 |
0 |
0 |
100% |
| gpaw/response/localft.py |
LocalPAWFTEngine.print_rshe_info |
2 |
0 |
0 |
100% |
| gpaw/response/localft.py |
LocalPAWFTEngine._expand_plane_waves |
9 |
0 |
0 |
100% |
| gpaw/response/localft.py |
LocalPAWFTEngine._calculate_norm_and_direction |
5 |
0 |
0 |
100% |
| gpaw/response/localft.py |
fft_from_grid |
5 |
0 |
0 |
100% |
| gpaw/response/localft.py |
add_total_density |
1 |
0 |
0 |
100% |
| gpaw/response/localft.py |
add_spin_polarization |
1 |
0 |
0 |
100% |
| gpaw/response/localft.py |
calculate_spin_polarization |
1 |
0 |
0 |
100% |
| gpaw/response/localft.py |
add_LSDA_Wxc |
1 |
0 |
0 |
100% |
| gpaw/response/localft.py |
calculate_LSDA_Wxc |
4 |
0 |
0 |
100% |
| gpaw/response/localft.py |
add_LSDA_zeeman_energy |
1 |
0 |
0 |
100% |
| gpaw/response/localft.py |
add_LDA_dens_fxc |
8 |
1 |
0 |
88% |
| gpaw/response/localft.py |
add_LSDA_trans_fxc |
9 |
1 |
0 |
89% |
| gpaw/response/localft.py |
(no function) |
62 |
0 |
0 |
100% |
| gpaw/response/matrix_elements.py |
MatrixElement.__init__ |
3 |
0 |
0 |
100% |
| gpaw/response/matrix_elements.py |
MatrixElement.local_array_view |
1 |
0 |
0 |
100% |
| gpaw/response/matrix_elements.py |
MatrixElement.get_global_array |
1 |
0 |
0 |
100% |
| gpaw/response/matrix_elements.py |
MatrixElementCalculator.__init__ |
2 |
0 |
0 |
100% |
| gpaw/response/matrix_elements.py |
MatrixElementCalculator.__call__ |
4 |
0 |
0 |
100% |
| gpaw/response/matrix_elements.py |
MatrixElementCalculator.add_pseudo_contribution |
1 |
0 |
0 |
100% |
| gpaw/response/matrix_elements.py |
MatrixElementCalculator.extract_pseudo_waves |
9 |
0 |
0 |
100% |
| gpaw/response/matrix_elements.py |
MatrixElementCalculator.add_paw_correction |
8 |
0 |
0 |
100% |
| gpaw/response/matrix_elements.py |
MatrixElementCalculator.get_periodic_pseudo_waves |
4 |
0 |
0 |
100% |
| gpaw/response/matrix_elements.py |
PlaneWaveMatrixElement.__init__ |
2 |
0 |
0 |
100% |
| gpaw/response/matrix_elements.py |
PlaneWaveMatrixElement.zeros |
1 |
0 |
0 |
100% |
| gpaw/response/matrix_elements.py |
PlaneWaveMatrixElementCalculator.__init__ |
9 |
0 |
0 |
100% |
| gpaw/response/matrix_elements.py |
PlaneWaveMatrixElementCalculator.print_rshe_info |
2 |
0 |
0 |
100% |
| gpaw/response/matrix_elements.py |
PlaneWaveMatrixElementCalculator.initialize_paw_corrections |
1 |
0 |
0 |
100% |
| gpaw/response/matrix_elements.py |
PlaneWaveMatrixElementCalculator.get_paw_corrections |
5 |
0 |
0 |
100% |
| gpaw/response/matrix_elements.py |
PlaneWaveMatrixElementCalculator.create_matrix_element |
1 |
0 |
0 |
100% |
| gpaw/response/matrix_elements.py |
PlaneWaveMatrixElementCalculator._add_pseudo_contribution |
6 |
0 |
0 |
100% |
| gpaw/response/matrix_elements.py |
PlaneWaveMatrixElementCalculator._evaluate_pseudo_matrix_element |
5 |
0 |
0 |
100% |
| gpaw/response/matrix_elements.py |
PlaneWaveMatrixElementCalculator._add_paw_correction |
5 |
0 |
0 |
100% |
| gpaw/response/matrix_elements.py |
NewPairDensityCalculator.__init__ |
1 |
0 |
0 |
100% |
| gpaw/response/matrix_elements.py |
NewPairDensityCalculator.add_f |
1 |
0 |
0 |
100% |
| gpaw/response/matrix_elements.py |
NewPairDensityCalculator.print_rshe_info |
1 |
0 |
0 |
100% |
| gpaw/response/matrix_elements.py |
TransversePairPotentialCalculator.add_f |
1 |
0 |
0 |
100% |
| gpaw/response/matrix_elements.py |
SiteMatrixElement.__init__ |
3 |
0 |
0 |
100% |
| gpaw/response/matrix_elements.py |
SiteMatrixElement.zeros |
1 |
0 |
0 |
100% |
| gpaw/response/matrix_elements.py |
SiteMatrixElementCalculator.__init__ |
10 |
0 |
0 |
100% |
| gpaw/response/matrix_elements.py |
SiteMatrixElementCalculator.print_rshe_info |
3 |
0 |
0 |
100% |
| gpaw/response/matrix_elements.py |
SiteMatrixElementCalculator.get_paw_correction_tensor |
3 |
0 |
0 |
100% |
| gpaw/response/matrix_elements.py |
SiteMatrixElementCalculator.calculate_paw_correction_tensor |
5 |
0 |
0 |
100% |
| gpaw/response/matrix_elements.py |
SiteMatrixElementCalculator.create_matrix_element |
1 |
0 |
0 |
100% |
| gpaw/response/matrix_elements.py |
SiteMatrixElementCalculator._add_pseudo_contribution |
15 |
0 |
0 |
100% |
| gpaw/response/matrix_elements.py |
SiteMatrixElementCalculator._add_paw_correction |
5 |
0 |
0 |
100% |
| gpaw/response/matrix_elements.py |
SitePairDensityCalculator.__init__ |
1 |
0 |
0 |
100% |
| gpaw/response/matrix_elements.py |
SitePairDensityCalculator.add_f |
1 |
0 |
0 |
100% |
| gpaw/response/matrix_elements.py |
SitePairDensityCalculator.print_rshe_info |
1 |
0 |
0 |
100% |
| gpaw/response/matrix_elements.py |
SiteZeemanPairEnergyCalculator.add_f |
1 |
0 |
0 |
100% |
| gpaw/response/matrix_elements.py |
SiteSpinPairEnergyCalculator.add_f |
1 |
0 |
0 |
100% |
| gpaw/response/matrix_elements.py |
(no function) |
79 |
0 |
0 |
100% |
| gpaw/response/mft.py |
IsotropicExchangeCalculator.__init__ |
10 |
0 |
0 |
100% |
| gpaw/response/mft.py |
IsotropicExchangeCalculator.__call__ |
13 |
0 |
0 |
100% |
| gpaw/response/mft.py |
IsotropicExchangeCalculator.get_Wxc |
3 |
0 |
0 |
100% |
| gpaw/response/mft.py |
IsotropicExchangeCalculator._calculate_Wxc |
2 |
0 |
0 |
100% |
| gpaw/response/mft.py |
IsotropicExchangeCalculator.get_chiksr |
4 |
0 |
0 |
100% |
| gpaw/response/mft.py |
IsotropicExchangeCalculator._calculate_chiksr |
10 |
1 |
0 |
90% |
| gpaw/response/mft.py |
calculate_single_particle_site_magnetization |
3 |
0 |
0 |
100% |
| gpaw/response/mft.py |
calculate_single_particle_site_zeeman_energy |
3 |
0 |
0 |
100% |
| gpaw/response/mft.py |
calculate_pair_site_magnetization |
3 |
0 |
0 |
100% |
| gpaw/response/mft.py |
calculate_pair_site_zeeman_energy |
3 |
0 |
0 |
100% |
| gpaw/response/mft.py |
calculate_exchange_parameters |
3 |
0 |
0 |
100% |
| gpaw/response/mft.py |
SiteFunction.__init__ |
2 |
0 |
0 |
100% |
| gpaw/response/mft.py |
SiteFunction.shape |
1 |
0 |
0 |
100% |
| gpaw/response/mft.py |
SiteFunction.zeros |
1 |
0 |
0 |
100% |
| gpaw/response/mft.py |
SingleParticleSiteSumRuleCalculator.__init__ |
4 |
0 |
0 |
100% |
| gpaw/response/mft.py |
SingleParticleSiteSumRuleCalculator.get_band_and_spin_transitions |
5 |
0 |
0 |
100% |
| gpaw/response/mft.py |
SingleParticleSiteSumRuleCalculator.__call__ |
3 |
0 |
0 |
100% |
| gpaw/response/mft.py |
SingleParticleSiteSumRuleCalculator.add_integrand |
10 |
0 |
0 |
100% |
| gpaw/response/mft.py |
SingleParticleSiteMagnetizationCalculator.create_matrix_element_calculator |
1 |
0 |
0 |
100% |
| gpaw/response/mft.py |
SingleParticleSiteMagnetizationCalculator.get_pauli_matrix |
1 |
0 |
0 |
100% |
| gpaw/response/mft.py |
SingleParticleSiteZeemanEnergyCalculator.create_matrix_element_calculator |
1 |
0 |
0 |
100% |
| gpaw/response/mft.py |
SitePairFunction.__init__ |
2 |
0 |
0 |
100% |
| gpaw/response/mft.py |
SitePairFunction.shape |
3 |
0 |
0 |
100% |
| gpaw/response/mft.py |
SitePairFunction.zeros |
1 |
0 |
0 |
100% |
| gpaw/response/mft.py |
SitePairFunctionCalculator.__init__ |
8 |
0 |
0 |
100% |
| gpaw/response/mft.py |
SitePairFunctionCalculator.get_band_and_spin_transitions |
1 |
0 |
0 |
100% |
| gpaw/response/mft.py |
SitePairFunctionCalculator.__call__ |
4 |
0 |
0 |
100% |
| gpaw/response/mft.py |
SitePairFunctionCalculator.add_integrand |
14 |
0 |
0 |
100% |
| gpaw/response/mft.py |
SitePairFunctionCalculator.get_info_string |
2 |
0 |
0 |
100% |
| gpaw/response/mft.py |
TwoParticleSiteSumRuleCalculator.calculate_eigenvalue_dependent_weights |
1 |
0 |
0 |
100% |
| gpaw/response/mft.py |
TwoParticleSiteMagnetizationCalculator.create_matrix_element_calculators |
2 |
0 |
0 |
100% |
| gpaw/response/mft.py |
TwoParticleSiteMagnetizationCalculator.get_spincomponent |
1 |
0 |
0 |
100% |
| gpaw/response/mft.py |
TwoParticleSiteZeemanEnergyCalculator.create_matrix_element_calculators |
3 |
0 |
0 |
100% |
| gpaw/response/mft.py |
HeisenbergExchangeCalculator.__call__ |
6 |
0 |
0 |
100% |
| gpaw/response/mft.py |
HeisenbergExchangeCalculator.create_matrix_element_calculators |
2 |
0 |
0 |
100% |
| gpaw/response/mft.py |
HeisenbergExchangeCalculator.get_spincomponent |
1 |
0 |
0 |
100% |
| gpaw/response/mft.py |
HeisenbergExchangeCalculator.calculate_eigenvalue_dependent_weights |
4 |
0 |
0 |
100% |
| gpaw/response/mft.py |
(no function) |
77 |
0 |
0 |
100% |
| gpaw/response/modelinteraction.py |
ibz2bz_map |
5 |
0 |
0 |
100% |
| gpaw/response/modelinteraction.py |
initialize_w_model |
7 |
1 |
0 |
86% |
| gpaw/response/modelinteraction.py |
ModelInteraction.__init__ |
4 |
0 |
0 |
100% |
| gpaw/response/modelinteraction.py |
ModelInteraction.calc_in_Wannier |
42 |
4 |
0 |
90% |
| gpaw/response/modelinteraction.py |
ModelInteraction.get_reduced_wannier_density_matrix |
12 |
0 |
0 |
100% |
| gpaw/response/modelinteraction.py |
ModelInteraction.get_density_matrix |
8 |
0 |
0 |
100% |
| gpaw/response/modelinteraction.py |
ModelInteraction.myKrange |
6 |
0 |
0 |
100% |
| gpaw/response/modelinteraction.py |
(no function) |
21 |
0 |
0 |
100% |
| gpaw/response/mpa_interpolation.py |
fit_residue |
21 |
0 |
0 |
100% |
| gpaw/response/mpa_interpolation.py |
Solver.__init__ |
5 |
0 |
0 |
100% |
| gpaw/response/mpa_interpolation.py |
Solver.solve |
1 |
1 |
0 |
0% |
| gpaw/response/mpa_interpolation.py |
SinglePoleSolver.__init__ |
1 |
0 |
0 |
100% |
| gpaw/response/mpa_interpolation.py |
SinglePoleSolver.solve |
9 |
0 |
0 |
100% |
| gpaw/response/mpa_interpolation.py |
SinglePoleSolver.solve.branch_sqrt_inplace |
3 |
0 |
0 |
100% |
| gpaw/response/mpa_interpolation.py |
MultipoleSolver.__init__ |
1 |
0 |
0 |
100% |
| gpaw/response/mpa_interpolation.py |
MultipoleSolver.solve |
5 |
0 |
0 |
100% |
| gpaw/response/mpa_interpolation.py |
RESolver |
6 |
0 |
0 |
100% |
| gpaw/response/mpa_interpolation.py |
mpa_cond_vectorized |
18 |
0 |
0 |
100% |
| gpaw/response/mpa_interpolation.py |
pade_solve |
23 |
0 |
0 |
100% |
| gpaw/response/mpa_interpolation.py |
(no function) |
19 |
0 |
0 |
100% |
| gpaw/response/mpa_sampling.py |
sampling_branches |
17 |
1 |
0 |
94% |
| gpaw/response/mpa_sampling.py |
frequency_distribution |
12 |
0 |
0 |
100% |
| gpaw/response/mpa_sampling.py |
mpa_frequency_sampling |
4 |
0 |
0 |
100% |
| gpaw/response/mpa_sampling.py |
semi_homogenous_partition |
14 |
0 |
0 |
100% |
| gpaw/response/mpa_sampling.py |
(no function) |
7 |
0 |
0 |
100% |
| gpaw/response/pair.py |
KPoint.__init__ |
12 |
0 |
0 |
100% |
| gpaw/response/pair.py |
KPointPair.__init__ |
3 |
0 |
0 |
100% |
| gpaw/response/pair.py |
KPointPair.get_transition_energies |
4 |
0 |
0 |
100% |
| gpaw/response/pair.py |
KPointPair.get_occupation_differences |
4 |
0 |
0 |
100% |
| gpaw/response/pair.py |
KPointPairFactory.__init__ |
4 |
0 |
0 |
100% |
| gpaw/response/pair.py |
KPointPairFactory.get_k_point |
31 |
0 |
0 |
100% |
| gpaw/response/pair.py |
KPointPairFactory.get_kpoint_pair |
14 |
0 |
0 |
100% |
| gpaw/response/pair.py |
KPointPairFactory.pair_calculator |
3 |
0 |
0 |
100% |
| gpaw/response/pair.py |
ActualPairDensityCalculator.__init__ |
4 |
0 |
0 |
100% |
| gpaw/response/pair.py |
ActualPairDensityCalculator.get_optical_pair_density |
7 |
0 |
0 |
100% |
| gpaw/response/pair.py |
ActualPairDensityCalculator.get_pair_density |
14 |
0 |
0 |
100% |
| gpaw/response/pair.py |
ActualPairDensityCalculator.get_optical_pair_density_head |
7 |
0 |
0 |
100% |
| gpaw/response/pair.py |
ActualPairDensityCalculator.calculate_pair_density |
16 |
4 |
0 |
75% |
| gpaw/response/pair.py |
ActualPairDensityCalculator.calculate_optical_pair_velocity |
21 |
4 |
0 |
81% |
| gpaw/response/pair.py |
ActualPairDensityCalculator.calculate_optical_pair_density_head |
11 |
0 |
0 |
100% |
| gpaw/response/pair.py |
ActualPairDensityCalculator.intraband_pair_density |
35 |
1 |
0 |
97% |
| gpaw/response/pair.py |
ActualPairDensityCalculator.calculate_derivatives |
4 |
0 |
0 |
100% |
| gpaw/response/pair.py |
ActualPairDensityCalculator.make_derivative |
16 |
0 |
0 |
100% |
| gpaw/response/pair.py |
phase_shifted_fft_indices |
15 |
0 |
0 |
100% |
| gpaw/response/pair.py |
get_gs_and_context |
8 |
0 |
0 |
100% |
| gpaw/response/pair.py |
(no function) |
36 |
0 |
0 |
100% |
| gpaw/response/pair_functions.py |
LatticePeriodicPairFunction.__init__ |
6 |
0 |
0 |
100% |
| gpaw/response/pair_functions.py |
LatticePeriodicPairFunction.zeros |
3 |
0 |
0 |
100% |
| gpaw/response/pair_functions.py |
LatticePeriodicPairFunction._initialize_block_distribution |
16 |
1 |
0 |
94% |
| gpaw/response/pair_functions.py |
LatticePeriodicPairFunction.array_with_view |
8 |
1 |
0 |
88% |
| gpaw/response/pair_functions.py |
LatticePeriodicPairFunction.copy_with_distribution |
3 |
0 |
0 |
100% |
| gpaw/response/pair_functions.py |
LatticePeriodicPairFunction._new |
1 |
0 |
0 |
100% |
| gpaw/response/pair_functions.py |
LatticePeriodicPairFunction.my_args |
7 |
0 |
0 |
100% |
| gpaw/response/pair_functions.py |
LatticePeriodicPairFunction.copy_with_reduced_pd |
7 |
1 |
0 |
86% |
| gpaw/response/pair_functions.py |
LatticePeriodicPairFunction.copy_with_global_frequency_distribution |
5 |
0 |
0 |
100% |
| gpaw/response/pair_functions.py |
map_ZgG_array_to_reduced_pd |
5 |
0 |
0 |
100% |
| gpaw/response/pair_functions.py |
map_zGG_array_to_reduced_pd |
10 |
0 |
0 |
100% |
| gpaw/response/pair_functions.py |
Chi.__init__ |
2 |
0 |
0 |
100% |
| gpaw/response/pair_functions.py |
Chi.new |
1 |
0 |
0 |
100% |
| gpaw/response/pair_functions.py |
Chi.my_args |
4 |
0 |
0 |
100% |
| gpaw/response/pair_functions.py |
Chi.my_args_and_kwargs |
4 |
0 |
0 |
100% |
| gpaw/response/pair_functions.py |
Chi.copy_with_reduced_ecut |
4 |
0 |
0 |
100% |
| gpaw/response/pair_functions.py |
Chi.copy_reactive_part |
8 |
0 |
0 |
100% |
| gpaw/response/pair_functions.py |
Chi.copy_dissipative_part |
8 |
0 |
0 |
100% |
| gpaw/response/pair_functions.py |
Chi.symmetrize_reciprocity |
6 |
0 |
0 |
100% |
| gpaw/response/pair_functions.py |
Chi.write_macroscopic_component |
3 |
0 |
0 |
100% |
| gpaw/response/pair_functions.py |
Chi.get_macroscopic_component |
5 |
0 |
0 |
100% |
| gpaw/response/pair_functions.py |
Chi.write_array |
4 |
0 |
0 |
100% |
| gpaw/response/pair_functions.py |
Chi.write_diagonal |
6 |
0 |
0 |
100% |
| gpaw/response/pair_functions.py |
get_inverted_pw_mapping |
14 |
1 |
0 |
93% |
| gpaw/response/pair_functions.py |
get_pw_coordinates |
3 |
0 |
0 |
100% |
| gpaw/response/pair_functions.py |
write_pair_function |
8 |
0 |
0 |
100% |
| gpaw/response/pair_functions.py |
read_pair_function |
7 |
1 |
0 |
86% |
| gpaw/response/pair_functions.py |
write_susceptibility_array |
6 |
0 |
0 |
100% |
| gpaw/response/pair_functions.py |
read_susceptibility_array |
3 |
0 |
0 |
100% |
| gpaw/response/pair_functions.py |
(no function) |
39 |
0 |
0 |
100% |
| gpaw/response/pair_integrator.py |
PairFunction.__init__ |
2 |
0 |
0 |
100% |
| gpaw/response/pair_integrator.py |
DynamicPairFunction.__init__ |
2 |
0 |
0 |
100% |
| gpaw/response/pair_integrator.py |
PairFunctionIntegrator.__init__ |
6 |
0 |
0 |
100% |
| gpaw/response/pair_integrator.py |
PairFunctionIntegrator._integrate |
12 |
0 |
0 |
100% |
| gpaw/response/pair_integrator.py |
PairFunctionIntegrator.create_communicators |
3 |
0 |
0 |
100% |
| gpaw/response/pair_integrator.py |
PairFunctionIntegrator.get_band_and_spin_transitions |
4 |
0 |
0 |
100% |
| gpaw/response/pair_integrator.py |
PairFunctionIntegrator.get_basic_info_string |
9 |
0 |
0 |
100% |
| gpaw/response/pair_integrator.py |
PairFunctionIntegrator.get_band_and_transitions_info_string |
7 |
0 |
0 |
100% |
| gpaw/response/pair_integrator.py |
KPointPairIntegral.__init__ |
7 |
0 |
0 |
100% |
| gpaw/response/pair_integrator.py |
KPointPairIntegral.weighted_kpoint_pairs |
10 |
1 |
0 |
90% |
| gpaw/response/pair_integrator.py |
KPointPairIntegral.slice_kpoint_domain |
11 |
0 |
0 |
100% |
| gpaw/response/pair_integrator.py |
KPointPairIntegral.crystal_volume |
1 |
0 |
0 |
100% |
| gpaw/response/pair_integrator.py |
KPointPairPointIntegral.get_kpoint_domain |
4 |
0 |
0 |
100% |
| gpaw/response/pair_integrator.py |
(no function) |
36 |
0 |
0 |
100% |
| gpaw/response/pair_transitions.py |
PairTransitions.__init__ |
7 |
0 |
0 |
100% |
| gpaw/response/pair_transitions.py |
PairTransitions.__len__ |
1 |
0 |
0 |
100% |
| gpaw/response/pair_transitions.py |
PairTransitions.get_band_indices |
1 |
0 |
0 |
100% |
| gpaw/response/pair_transitions.py |
PairTransitions.get_spin_indices |
1 |
0 |
0 |
100% |
| gpaw/response/pair_transitions.py |
PairTransitions.get_intraband_mask |
2 |
0 |
0 |
100% |
| gpaw/response/pair_transitions.py |
PairTransitions.from_transitions_domain_arguments |
4 |
0 |
0 |
100% |
| gpaw/response/pair_transitions.py |
get_band_transitions_domain |
3 |
0 |
0 |
100% |
| gpaw/response/pair_transitions.py |
create_get_band_transitions_domain |
5 |
1 |
0 |
80% |
| gpaw/response/pair_transitions.py |
get_double_band_transitions_domain |
5 |
0 |
0 |
100% |
| gpaw/response/pair_transitions.py |
get_pairwise_band_transitions_domain |
8 |
0 |
0 |
100% |
| gpaw/response/pair_transitions.py |
remove_null_transitions |
10 |
0 |
0 |
100% |
| gpaw/response/pair_transitions.py |
get_spin_transitions_domain |
2 |
0 |
0 |
100% |
| gpaw/response/pair_transitions.py |
create_get_spin_transitions_domain |
5 |
1 |
0 |
80% |
| gpaw/response/pair_transitions.py |
get_double_spin_transitions_domain |
22 |
9 |
0 |
59% |
| gpaw/response/pair_transitions.py |
get_pairwise_spin_transitions_domain |
4 |
0 |
0 |
100% |
| gpaw/response/pair_transitions.py |
transitions_in_composite_index |
3 |
0 |
0 |
100% |
| gpaw/response/pair_transitions.py |
(no function) |
20 |
0 |
0 |
100% |
| gpaw/response/paw.py |
LeanPAWDataset.__post_init__ |
7 |
0 |
0 |
100% |
| gpaw/response/paw.py |
LeanPAWDataset.dn_kspline |
4 |
0 |
0 |
100% |
| gpaw/response/paw.py |
LeanPAWDataset.get_pair_density_correction |
4 |
0 |
0 |
100% |
| gpaw/response/paw.py |
LeanPAWDataset.calculate_pair_density_correction |
3 |
0 |
0 |
100% |
| gpaw/response/paw.py |
LeanPAWDataset.rescaled_fourier_bessel_transform |
3 |
0 |
0 |
100% |
| gpaw/response/paw.py |
SelfTestingKSpline.__init__ |
3 |
0 |
0 |
100% |
| gpaw/response/paw.py |
SelfTestingKSpline.map |
2 |
0 |
0 |
100% |
| gpaw/response/paw.py |
SelfTestingKSpline.test_spline_representation |
9 |
0 |
0 |
100% |
| gpaw/response/paw.py |
calculate_pair_density_correction |
26 |
0 |
0 |
100% |
| gpaw/response/paw.py |
calculate_matrix_element_correction |
45 |
0 |
0 |
100% |
| gpaw/response/paw.py |
parallel_fourier_bessel_transform |
5 |
0 |
0 |
100% |
| gpaw/response/paw.py |
fourier_bessel_transform |
5 |
0 |
0 |
100% |
| gpaw/response/paw.py |
PWPAWCorrectionData.__init__ |
7 |
0 |
0 |
100% |
| gpaw/response/paw.py |
PWPAWCorrectionData._new |
1 |
0 |
0 |
100% |
| gpaw/response/paw.py |
PWPAWCorrectionData.remap |
9 |
0 |
0 |
100% |
| gpaw/response/paw.py |
PWPAWCorrectionData._get_x_G |
1 |
0 |
0 |
100% |
| gpaw/response/paw.py |
PWPAWCorrectionData.remap_by_symop |
1 |
0 |
0 |
100% |
| gpaw/response/paw.py |
PWPAWCorrectionData.multiply |
4 |
0 |
0 |
100% |
| gpaw/response/paw.py |
PWPAWCorrectionData.reduce_ecut |
1 |
0 |
0 |
100% |
| gpaw/response/paw.py |
PWPAWCorrectionData.almost_equal |
5 |
1 |
0 |
80% |
| gpaw/response/paw.py |
get_pair_density_paw_corrections |
13 |
0 |
0 |
100% |
| gpaw/response/paw.py |
get_matrix_element_paw_corrections |
8 |
0 |
0 |
100% |
| gpaw/response/paw.py |
(no function) |
44 |
0 |
0 |
100% |
| gpaw/response/pw_parallelization.py |
Blocks1D.__init__ |
7 |
0 |
0 |
100% |
| gpaw/response/pw_parallelization.py |
Blocks1D.all_gather |
5 |
0 |
0 |
100% |
| gpaw/response/pw_parallelization.py |
Blocks1D.gather |
10 |
2 |
0 |
80% |
| gpaw/response/pw_parallelization.py |
Blocks1D.local_communication_buffer |
6 |
0 |
0 |
100% |
| gpaw/response/pw_parallelization.py |
Blocks1D.global_communication_buffer |
2 |
0 |
0 |
100% |
| gpaw/response/pw_parallelization.py |
Blocks1D.find_global_index |
3 |
0 |
0 |
100% |
| gpaw/response/pw_parallelization.py |
block_partition |
17 |
4 |
0 |
76% |
| gpaw/response/pw_parallelization.py |
PlaneWaveBlockDistributor.__init__ |
3 |
0 |
0 |
100% |
| gpaw/response/pw_parallelization.py |
PlaneWaveBlockDistributor.fully_block_distributed |
1 |
0 |
0 |
100% |
| gpaw/response/pw_parallelization.py |
PlaneWaveBlockDistributor.new_distributor |
4 |
0 |
0 |
100% |
| gpaw/response/pw_parallelization.py |
PlaneWaveBlockDistributor._redistribute |
25 |
25 |
0 |
0% |
| gpaw/response/pw_parallelization.py |
PlaneWaveBlockDistributor.has_distribution |
14 |
10 |
0 |
29% |
| gpaw/response/pw_parallelization.py |
PlaneWaveBlockDistributor.distribute_as |
3 |
1 |
0 |
67% |
| gpaw/response/pw_parallelization.py |
PlaneWaveBlockDistributor.distribute_frequencies |
24 |
20 |
0 |
17% |
| gpaw/response/pw_parallelization.py |
(no function) |
19 |
0 |
0 |
100% |
| gpaw/response/q0_correction.py |
Q0Correction.__init__ |
15 |
0 |
0 |
100% |
| gpaw/response/q0_correction.py |
Q0Correction.add_q0_correction |
55 |
0 |
0 |
100% |
| gpaw/response/q0_correction.py |
(no function) |
4 |
0 |
0 |
100% |
| gpaw/response/qeh.py |
QEHChiCalc.__init__ |
12 |
12 |
0 |
0% |
| gpaw/response/qeh.py |
QEHChiCalc.get_q_grid |
13 |
13 |
0 |
0% |
| gpaw/response/qeh.py |
QEHChiCalc.determine_P_rv |
7 |
7 |
0 |
0% |
| gpaw/response/qeh.py |
QEHChiCalc.get_z_grid |
2 |
2 |
0 |
0% |
| gpaw/response/qeh.py |
QEHChiCalc.get_chi_wGG |
7 |
7 |
0 |
0% |
| gpaw/response/qeh.py |
QEHChiCalc.get_atoms |
1 |
1 |
0 |
0% |
| gpaw/response/qeh.py |
(no function) |
21 |
2 |
0 |
90% |
| gpaw/response/qpd.py |
SingleQPWDescriptor.from_q |
6 |
1 |
0 |
83% |
| gpaw/response/qpd.py |
SingleQPWDescriptor.q_c |
1 |
0 |
0 |
100% |
| gpaw/response/qpd.py |
SingleQPWDescriptor.optical_limit |
1 |
0 |
0 |
100% |
| gpaw/response/qpd.py |
SingleQPWDescriptor.copy |
1 |
1 |
0 |
0% |
| gpaw/response/qpd.py |
SingleQPWDescriptor.copy_with |
7 |
1 |
0 |
86% |
| gpaw/response/qpd.py |
SingleCylQPWDescriptor.__init__ |
10 |
2 |
0 |
80% |
| gpaw/response/qpd.py |
SingleCylQPWDescriptor.setup_pw_grid |
17 |
2 |
0 |
88% |
| gpaw/response/qpd.py |
SingleCylQPWDescriptor.copy_with |
7 |
7 |
0 |
0% |
| gpaw/response/qpd.py |
(no function) |
18 |
0 |
0 |
100% |
| gpaw/response/screened_interaction.py |
GammaIntegrationMode.__init__ |
18 |
3 |
0 |
83% |
| gpaw/response/screened_interaction.py |
GammaIntegrationMode.__repr__ |
1 |
0 |
0 |
100% |
| gpaw/response/screened_interaction.py |
GammaIntegrationMode.is_analytical |
1 |
0 |
0 |
100% |
| gpaw/response/screened_interaction.py |
GammaIntegrationMode.is_numerical |
1 |
0 |
0 |
100% |
| gpaw/response/screened_interaction.py |
GammaIntegrationMode.is_Wigner_Seitz |
1 |
0 |
0 |
100% |
| gpaw/response/screened_interaction.py |
GammaIntegrationMode.to_1bz |
1 |
0 |
0 |
100% |
| gpaw/response/screened_interaction.py |
GammaIntegrationMode.N |
1 |
0 |
0 |
100% |
| gpaw/response/screened_interaction.py |
QPointDescriptor.from_gs |
7 |
0 |
0 |
100% |
| gpaw/response/screened_interaction.py |
initialize_w_calculator |
10 |
0 |
0 |
100% |
| gpaw/response/screened_interaction.py |
WBaseCalculator.__init__ |
14 |
0 |
0 |
100% |
| gpaw/response/screened_interaction.py |
WBaseCalculator.get_V0sqrtV0 |
15 |
1 |
0 |
93% |
| gpaw/response/screened_interaction.py |
WBaseCalculator.apply_gamma_correction |
3 |
0 |
0 |
100% |
| gpaw/response/screened_interaction.py |
WCalculator.get_HW_model |
7 |
0 |
0 |
100% |
| gpaw/response/screened_interaction.py |
WCalculator.calculate_W_WgG |
3 |
0 |
0 |
100% |
| gpaw/response/screened_interaction.py |
WCalculator.calculate_W_wGG |
20 |
0 |
0 |
100% |
| gpaw/response/screened_interaction.py |
WCalculator.dyson_and_W_new |
32 |
32 |
0 |
0% |
| gpaw/response/screened_interaction.py |
HWModel.get_HW |
1 |
1 |
0 |
0% |
| gpaw/response/screened_interaction.py |
FullFrequencyHWModel.__init__ |
3 |
0 |
0 |
100% |
| gpaw/response/screened_interaction.py |
FullFrequencyHWModel.get_HW |
16 |
0 |
0 |
100% |
| gpaw/response/screened_interaction.py |
MPAHWModel.__init__ |
4 |
0 |
0 |
100% |
| gpaw/response/screened_interaction.py |
MPAHWModel.get_HW |
4 |
0 |
0 |
100% |
| gpaw/response/screened_interaction.py |
MPACalculator.__init__ |
3 |
0 |
0 |
100% |
| gpaw/response/screened_interaction.py |
MPACalculator.get_HW_model |
27 |
0 |
0 |
100% |
| gpaw/response/screened_interaction.py |
(no function) |
47 |
0 |
0 |
100% |
| gpaw/response/site_data.py |
AtomicSites.__init__ |
9 |
0 |
0 |
100% |
| gpaw/response/site_data.py |
AtomicSites.__len__ |
1 |
0 |
0 |
100% |
| gpaw/response/site_data.py |
calculate_site_magnetization |
1 |
0 |
0 |
100% |
| gpaw/response/site_data.py |
calculate_site_zeeman_energy |
2 |
0 |
0 |
100% |
| gpaw/response/site_data.py |
get_site_radii_range |
2 |
0 |
0 |
100% |
| gpaw/response/site_data.py |
maximize_site_magnetization |
10 |
0 |
0 |
100% |
| gpaw/response/site_data.py |
maximize |
5 |
1 |
0 |
80% |
| gpaw/response/site_data.py |
AtomicSiteData.__init__ |
11 |
0 |
0 |
100% |
| gpaw/response/site_data.py |
AtomicSiteData.valid_site_radii_range |
19 |
0 |
0 |
100% |
| gpaw/response/site_data.py |
AtomicSiteData.in_valid_site_radii_range |
5 |
0 |
0 |
100% |
| gpaw/response/site_data.py |
AtomicSiteData.calculate_magnetic_moments |
2 |
0 |
0 |
100% |
| gpaw/response/site_data.py |
AtomicSiteData.calculate_zeeman_energies |
2 |
0 |
0 |
100% |
| gpaw/response/site_data.py |
AtomicSiteData.integrate_local_function |
4 |
0 |
0 |
100% |
| gpaw/response/site_data.py |
AtomicSiteData._integrate_pseudo_contribution |
6 |
0 |
0 |
100% |
| gpaw/response/site_data.py |
AtomicSiteData._integrate_paw_correction |
6 |
0 |
0 |
100% |
| gpaw/response/site_data.py |
(no function) |
25 |
0 |
0 |
100% |
| gpaw/response/site_kernels.py |
SiteKernels.__init__ |
5 |
0 |
0 |
100% |
| gpaw/response/site_kernels.py |
SiteKernels.npartitions |
1 |
0 |
0 |
100% |
| gpaw/response/site_kernels.py |
SiteKernels.nsites |
1 |
0 |
0 |
100% |
| gpaw/response/site_kernels.py |
SiteKernels.shape |
1 |
0 |
0 |
100% |
| gpaw/response/site_kernels.py |
SiteKernels.geometry_shapes |
6 |
0 |
0 |
100% |
| gpaw/response/site_kernels.py |
SiteKernels.calculate |
2 |
0 |
0 |
100% |
| gpaw/response/site_kernels.py |
SiteKernels.__add__ |
6 |
0 |
0 |
100% |
| gpaw/response/site_kernels.py |
SiteKernels.append |
4 |
0 |
0 |
100% |
| gpaw/response/site_kernels.py |
SiteKernels.copy |
1 |
0 |
0 |
100% |
| gpaw/response/site_kernels.py |
SphericalSiteKernels.__init__ |
8 |
0 |
0 |
100% |
| gpaw/response/site_kernels.py |
CylindricalSiteKernels.__init__ |
15 |
0 |
0 |
100% |
| gpaw/response/site_kernels.py |
ParallelepipedicSiteKernels.__init__ |
8 |
0 |
0 |
100% |
| gpaw/response/site_kernels.py |
calculate_site_kernels |
12 |
0 |
0 |
100% |
| gpaw/response/site_kernels.py |
construct_wave_vectors |
7 |
0 |
0 |
100% |
| gpaw/response/site_kernels.py |
get_plane_waves_and_reduced_wave_vector |
6 |
0 |
0 |
100% |
| gpaw/response/site_kernels.py |
create_geometry_factor |
7 |
1 |
0 |
86% |
| gpaw/response/site_kernels.py |
spherical_geometry_factor |
9 |
0 |
0 |
100% |
| gpaw/response/site_kernels.py |
cylindrical_geometry_factor |
13 |
0 |
0 |
100% |
| gpaw/response/site_kernels.py |
parallelepipedic_geometry_factor |
7 |
0 |
0 |
100% |
| gpaw/response/site_kernels.py |
sinc |
1 |
0 |
0 |
100% |
| gpaw/response/site_kernels.py |
(no function) |
32 |
0 |
0 |
100% |
| gpaw/response/site_paw.py |
calculate_site_matrix_element_correction |
34 |
0 |
0 |
100% |
| gpaw/response/site_paw.py |
(no function) |
5 |
0 |
0 |
100% |
| gpaw/response/susceptibility.py |
ChiFactory.__init__ |
10 |
0 |
0 |
100% |
| gpaw/response/susceptibility.py |
ChiFactory.__call__ |
9 |
0 |
0 |
100% |
| gpaw/response/susceptibility.py |
ChiFactory.get_hxc_kernel |
1 |
0 |
0 |
100% |
| gpaw/response/susceptibility.py |
ChiFactory.get_hartree_kernel |
3 |
0 |
0 |
100% |
| gpaw/response/susceptibility.py |
ChiFactory.get_xc_kernel |
9 |
0 |
0 |
100% |
| gpaw/response/susceptibility.py |
ChiFactory.calculate_chiks |
7 |
0 |
0 |
100% |
| gpaw/response/susceptibility.py |
spectral_decomposition |
6 |
0 |
0 |
100% |
| gpaw/response/susceptibility.py |
EigendecomposedSpectrum.__init__ |
9 |
0 |
0 |
100% |
| gpaw/response/susceptibility.py |
EigendecomposedSpectrum.from_chi |
6 |
0 |
0 |
100% |
| gpaw/response/susceptibility.py |
EigendecomposedSpectrum.from_spectrum |
5 |
0 |
0 |
100% |
| gpaw/response/susceptibility.py |
EigendecomposedSpectrum.from_file |
3 |
0 |
0 |
100% |
| gpaw/response/susceptibility.py |
EigendecomposedSpectrum.write |
6 |
0 |
0 |
100% |
| gpaw/response/susceptibility.py |
EigendecomposedSpectrum.nG |
1 |
0 |
0 |
100% |
| gpaw/response/susceptibility.py |
EigendecomposedSpectrum.neigs |
1 |
0 |
0 |
100% |
| gpaw/response/susceptibility.py |
EigendecomposedSpectrum.A_w |
3 |
0 |
0 |
100% |
| gpaw/response/susceptibility.py |
EigendecomposedSpectrum.A_wGG |
6 |
0 |
0 |
100% |
| gpaw/response/susceptibility.py |
EigendecomposedSpectrum.new_nan_arrays |
5 |
0 |
0 |
100% |
| gpaw/response/susceptibility.py |
EigendecomposedSpectrum.get_positive_eigenvalue_spectrum |
12 |
1 |
0 |
92% |
| gpaw/response/susceptibility.py |
EigendecomposedSpectrum.get_negative_eigenvalue_spectrum |
5 |
0 |
0 |
100% |
| gpaw/response/susceptibility.py |
EigendecomposedSpectrum.reduce_number_of_eigenvalues |
7 |
0 |
0 |
100% |
| gpaw/response/susceptibility.py |
EigendecomposedSpectrum.get_eigenmode_lineshapes |
2 |
0 |
0 |
100% |
| gpaw/response/susceptibility.py |
EigendecomposedSpectrum.get_eigenmode_frequency |
12 |
0 |
0 |
100% |
| gpaw/response/susceptibility.py |
EigendecomposedSpectrum.get_eigenmodes_at_frequency |
2 |
0 |
0 |
100% |
| gpaw/response/susceptibility.py |
EigendecomposedSpectrum.get_eigenvectors_at_frequency |
8 |
1 |
0 |
88% |
| gpaw/response/susceptibility.py |
EigendecomposedSpectrum._get_eigenmode_lineshapes |
9 |
0 |
0 |
100% |
| gpaw/response/susceptibility.py |
EigendecomposedSpectrum.write_full_spectral_weight |
3 |
0 |
0 |
100% |
| gpaw/response/susceptibility.py |
EigendecomposedSpectrum.write_eigenmode_lineshapes |
3 |
0 |
0 |
100% |
| gpaw/response/susceptibility.py |
write_full_spectral_weight |
4 |
0 |
0 |
100% |
| gpaw/response/susceptibility.py |
read_full_spectral_weight |
4 |
0 |
0 |
100% |
| gpaw/response/susceptibility.py |
write_eigenmode_lineshapes |
10 |
0 |
0 |
100% |
| gpaw/response/susceptibility.py |
read_eigenmode_lineshapes |
4 |
0 |
0 |
100% |
| gpaw/response/susceptibility.py |
(no function) |
52 |
0 |
0 |
100% |
| gpaw/response/symmetrize.py |
HeadSymmetryOperators.__init__ |
3 |
0 |
0 |
100% |
| gpaw/response/symmetrize.py |
HeadSymmetryOperators.symmetrize_wvv |
8 |
0 |
0 |
100% |
| gpaw/response/symmetrize.py |
BodySymmetryOperators.__init__ |
3 |
0 |
0 |
100% |
| gpaw/response/symmetrize.py |
BodySymmetryOperators.symmetrize_wGG |
5 |
0 |
0 |
100% |
| gpaw/response/symmetrize.py |
WingSymmetryOperators.__init__ |
2 |
0 |
0 |
100% |
| gpaw/response/symmetrize.py |
WingSymmetryOperators.symmetrize_wxvG |
8 |
0 |
0 |
100% |
| gpaw/response/symmetrize.py |
initialize_v_maps |
1 |
0 |
0 |
100% |
| gpaw/response/symmetrize.py |
initialize_G_maps |
19 |
2 |
0 |
89% |
| gpaw/response/symmetrize.py |
(no function) |
16 |
0 |
0 |
100% |
| gpaw/response/symmetry.py |
QSymmetries.__post_init__ |
1 |
0 |
0 |
100% |
| gpaw/response/symmetry.py |
QSymmetries.__len__ |
1 |
0 |
0 |
100% |
| gpaw/response/symmetry.py |
QSymmetries.__getitem__ |
1 |
0 |
0 |
100% |
| gpaw/response/symmetry.py |
QSymmetries.unioperator |
1 |
0 |
0 |
100% |
| gpaw/response/symmetry.py |
QSymmetries.timereversal |
1 |
0 |
0 |
100% |
| gpaw/response/symmetry.py |
QSymmetries.sign |
3 |
0 |
0 |
100% |
| gpaw/response/symmetry.py |
QSymmetries.U_scc |
1 |
0 |
0 |
100% |
| gpaw/response/symmetry.py |
QSymmetries.sign_s |
1 |
0 |
0 |
100% |
| gpaw/response/symmetry.py |
QSymmetries.ndirect |
1 |
0 |
0 |
100% |
| gpaw/response/symmetry.py |
QSymmetries.nindirect |
1 |
0 |
0 |
100% |
| gpaw/response/symmetry.py |
QSymmetries.description |
17 |
0 |
0 |
100% |
| gpaw/response/symmetry.py |
QSymmetryAnalyzer.from_input |
5 |
1 |
0 |
80% |
| gpaw/response/symmetry.py |
QSymmetryAnalyzer.disabled |
1 |
0 |
0 |
100% |
| gpaw/response/symmetry.py |
QSymmetryAnalyzer.disabled_symmetry_info |
9 |
0 |
0 |
100% |
| gpaw/response/symmetry.py |
QSymmetryAnalyzer.analysis_info |
2 |
0 |
0 |
100% |
| gpaw/response/symmetry.py |
QSymmetryAnalyzer.analyze |
5 |
0 |
0 |
100% |
| gpaw/response/symmetry.py |
QSymmetryAnalyzer.analyze_symmetries |
26 |
0 |
0 |
100% |
| gpaw/response/symmetry.py |
QSymmetryAnalyzer.analyze_symmetries.is_not_point_group |
1 |
0 |
0 |
100% |
| gpaw/response/symmetry.py |
QSymmetryAnalyzer.analyze_symmetries.is_not_time_reversal |
1 |
0 |
0 |
100% |
| gpaw/response/symmetry.py |
QSymmetryAnalyzer.analyze_symmetries.is_not_non_symmorphic |
1 |
0 |
0 |
100% |
| gpaw/response/symmetry.py |
(no function) |
42 |
0 |
0 |
100% |
| gpaw/response/temp.py |
DielectricFunctionCalculator.__init__ |
10 |
0 |
0 |
100% |
| gpaw/response/temp.py |
DielectricFunctionCalculator.sqrtV_G |
1 |
0 |
0 |
100% |
| gpaw/response/temp.py |
DielectricFunctionCalculator.I_GG |
1 |
0 |
0 |
100% |
| gpaw/response/temp.py |
DielectricFunctionCalculator.fxc_GG |
3 |
0 |
0 |
100% |
| gpaw/response/temp.py |
DielectricFunctionCalculator.chi0_wGG |
1 |
0 |
0 |
100% |
| gpaw/response/temp.py |
DielectricFunctionCalculator.get_epsinv_wGG |
7 |
0 |
0 |
100% |
| gpaw/response/temp.py |
DielectricFunctionCalculator.single_frequency_epsinv_GG |
5 |
0 |
0 |
100% |
| gpaw/response/temp.py |
_DielectricFunctionCalculator.__init__ |
6 |
0 |
0 |
100% |
| gpaw/response/temp.py |
_DielectricFunctionCalculator.new_with |
1 |
0 |
0 |
100% |
| gpaw/response/temp.py |
_DielectricFunctionCalculator._chiVVfxc_GG |
3 |
0 |
0 |
100% |
| gpaw/response/temp.py |
_DielectricFunctionCalculator.eps_GG_gwp |
2 |
0 |
0 |
100% |
| gpaw/response/temp.py |
_DielectricFunctionCalculator.eps_GG_gws |
2 |
0 |
0 |
100% |
| gpaw/response/temp.py |
_DielectricFunctionCalculator.eps_GG_plain |
1 |
0 |
0 |
100% |
| gpaw/response/temp.py |
_DielectricFunctionCalculator.eps_GG_w_fxc |
1 |
0 |
0 |
100% |
| gpaw/response/temp.py |
_DielectricFunctionCalculator.get_eps_GG |
10 |
1 |
0 |
90% |
| gpaw/response/temp.py |
_DielectricFunctionCalculator.get_epsinv_GG |
2 |
0 |
0 |
100% |
| gpaw/response/temp.py |
_GammaDielectricFunctionCalculator.__init__ |
4 |
0 |
0 |
100% |
| gpaw/response/temp.py |
_GammaDielectricFunctionCalculator.chi0_GG |
1 |
0 |
0 |
100% |
| gpaw/response/temp.py |
_GammaDielectricFunctionCalculator.get_epsinv_GG |
6 |
0 |
0 |
100% |
| gpaw/response/temp.py |
(no function) |
31 |
0 |
0 |
100% |
| gpaw/response/tool.py |
check_degenerate_bands |
13 |
13 |
0 |
0% |
| gpaw/response/tool.py |
get_orbitals |
9 |
9 |
0 |
0% |
| gpaw/response/tool.py |
get_bz_transitions |
11 |
2 |
0 |
82% |
| gpaw/response/tool.py |
get_chi0_integrand |
16 |
2 |
0 |
88% |
| gpaw/response/tool.py |
get_degeneracy_matrix |
16 |
0 |
0 |
100% |
| gpaw/response/tool.py |
get_individual_transition_strengths |
1 |
0 |
0 |
100% |
| gpaw/response/tool.py |
find_peaks |
29 |
29 |
0 |
0% |
| gpaw/response/tool.py |
lorz_fit |
11 |
11 |
0 |
0% |
| gpaw/response/tool.py |
lorz_fit.residual |
2 |
2 |
0 |
0% |
| gpaw/response/tool.py |
lorz_fit.lorz |
5 |
5 |
0 |
0% |
| gpaw/response/tool.py |
linear_fit |
8 |
8 |
0 |
0% |
| gpaw/response/tool.py |
linear_fit.residual |
2 |
2 |
0 |
0% |
| gpaw/response/tool.py |
linear_fit.linear |
1 |
1 |
0 |
0% |
| gpaw/response/tool.py |
plot_setfont |
3 |
3 |
0 |
0% |
| gpaw/response/tool.py |
plot_setticks |
15 |
15 |
0 |
0% |
| gpaw/response/tool.py |
(no function) |
19 |
0 |
0 |
100% |
| gpaw/response/wgg.py |
get_blocksize |
1 |
1 |
0 |
0% |
| gpaw/response/wgg.py |
get_strides |
1 |
1 |
0 |
0% |
| gpaw/response/wgg.py |
Grid.__init__ |
25 |
25 |
0 |
0% |
| gpaw/response/wgg.py |
Grid.zeros |
1 |
1 |
0 |
0% |
| gpaw/response/wgg.py |
Grid.get_domains |
8 |
8 |
0 |
0% |
| gpaw/response/wgg.py |
Grid.rank2parpos |
3 |
3 |
0 |
0% |
| gpaw/response/wgg.py |
Grid.redistribute |
4 |
4 |
0 |
0% |
| gpaw/response/wgg.py |
Grid.invert_inplace |
13 |
13 |
0 |
0% |
| gpaw/response/wgg.py |
get_x_WGG |
16 |
16 |
0 |
0% |
| gpaw/response/wgg.py |
factorize |
3 |
0 |
0 |
100% |
| gpaw/response/wgg.py |
get_products |
3 |
0 |
0 |
100% |
| gpaw/response/wgg.py |
choose_parallelization |
14 |
1 |
0 |
93% |
| gpaw/response/wgg.py |
main |
26 |
26 |
0 |
0% |
| gpaw/response/wgg.py |
(no function) |
21 |
1 |
0 |
95% |
| gpaw/rotation.py |
Y_matrix |
7 |
0 |
0 |
100% |
| gpaw/rotation.py |
rotation |
1 |
0 |
0 |
100% |
| gpaw/rotation.py |
Y_rotation |
11 |
11 |
0 |
0% |
| gpaw/rotation.py |
(no function) |
12 |
0 |
0 |
100% |
| gpaw/scf.py |
SCFLoop.__init__ |
8 |
0 |
0 |
100% |
| gpaw/scf.py |
SCFLoop.__str__ |
7 |
0 |
0 |
100% |
| gpaw/scf.py |
SCFLoop.write |
1 |
0 |
0 |
100% |
| gpaw/scf.py |
SCFLoop.read |
3 |
1 |
0 |
67% |
| gpaw/scf.py |
SCFLoop.reset |
4 |
0 |
0 |
100% |
| gpaw/scf.py |
SCFLoop.irun |
19 |
0 |
0 |
100% |
| gpaw/scf.py |
SCFLoop.log |
1 |
0 |
0 |
100% |
| gpaw/scf.py |
SCFLoop.check_convergence |
5 |
0 |
0 |
100% |
| gpaw/scf.py |
SCFLoop.not_converged |
9 |
0 |
0 |
100% |
| gpaw/scf.py |
SCFLoop.iterate_eigensolver |
21 |
0 |
0 |
100% |
| gpaw/scf.py |
SCFLoop.update_ham_and_dens |
5 |
0 |
0 |
100% |
| gpaw/scf.py |
write_iteration |
41 |
0 |
0 |
100% |
| gpaw/scf.py |
write_iteration.format_conv |
4 |
0 |
0 |
100% |
| gpaw/scf.py |
SCFEvent.__init__ |
5 |
0 |
0 |
100% |
| gpaw/scf.py |
SCFEvent.calculate_forces |
3 |
0 |
0 |
100% |
| gpaw/scf.py |
(no function) |
23 |
0 |
0 |
100% |
| gpaw/setup.py |
create_setup |
47 |
4 |
0 |
91% |
| gpaw/setup.py |
correct_occ_numbers |
14 |
0 |
0 |
100% |
| gpaw/setup.py |
LocalCorrectionVar.__init__ |
4 |
0 |
0 |
100% |
| gpaw/setup.py |
BaseSetup.print_info |
1 |
0 |
0 |
100% |
| gpaw/setup.py |
BaseSetup.get_basis_description |
1 |
0 |
0 |
100% |
| gpaw/setup.py |
BaseSetup.get_partial_waves_for_atomic_orbitals |
8 |
1 |
0 |
88% |
| gpaw/setup.py |
BaseSetup.calculate_initial_occupation_numbers |
59 |
2 |
0 |
97% |
| gpaw/setup.py |
BaseSetup.get_hunds_rule_moment |
7 |
1 |
0 |
86% |
| gpaw/setup.py |
BaseSetup.initialize_density_matrix |
21 |
1 |
0 |
95% |
| gpaw/setup.py |
BaseSetup.get_partial_waves |
25 |
2 |
0 |
92% |
| gpaw/setup.py |
BaseSetup.four_phi_integrals |
40 |
0 |
0 |
100% |
| gpaw/setup.py |
BaseSetup.get_default_nbands |
2 |
0 |
0 |
100% |
| gpaw/setup.py |
BaseSetup.calculate_coulomb_corrections |
24 |
0 |
0 |
100% |
| gpaw/setup.py |
BaseSetup.calculate_integral_potentials |
7 |
0 |
0 |
100% |
| gpaw/setup.py |
BaseSetup.calculate_yukawa_interaction |
2 |
0 |
0 |
100% |
| gpaw/setup.py |
BaseSetup.calculate_yukawa_interaction.Yuk |
1 |
0 |
0 |
100% |
| gpaw/setup.py |
BaseSetup.calculate_erfc_interaction |
3 |
0 |
0 |
100% |
| gpaw/setup.py |
BaseSetup.calculate_erfc_interaction.erfc_interaction |
1 |
0 |
0 |
100% |
| gpaw/setup.py |
BaseSetup.calculate_vvx_interactions |
2 |
0 |
0 |
100% |
| gpaw/setup.py |
LeanSetup.__init__ |
67 |
1 |
0 |
99% |
| gpaw/setup.py |
Setup.__init__ |
153 |
4 |
0 |
97% |
| gpaw/setup.py |
Setup.__init__.H |
1 |
0 |
0 |
100% |
| gpaw/setup.py |
Setup.create_projectors |
5 |
0 |
0 |
100% |
| gpaw/setup.py |
Setup.get_inverse_overlap_coefficients |
3 |
0 |
0 |
100% |
| gpaw/setup.py |
Setup.calculate_T_Lqp |
15 |
0 |
0 |
100% |
| gpaw/setup.py |
Setup.calculate_projector_overlaps |
17 |
0 |
0 |
100% |
| gpaw/setup.py |
Setup.get_compensation_charges |
36 |
0 |
0 |
100% |
| gpaw/setup.py |
Setup.get_derivative_integrals |
32 |
0 |
0 |
100% |
| gpaw/setup.py |
Setup.get_magnetic_integrals |
31 |
0 |
0 |
100% |
| gpaw/setup.py |
Setup.construct_core_densities |
3 |
0 |
0 |
100% |
| gpaw/setup.py |
Setup.create_basis_functions |
22 |
0 |
0 |
100% |
| gpaw/setup.py |
PartialWaveBasis.__init__ |
2 |
0 |
0 |
100% |
| gpaw/setup.py |
PartialWaveBasis.tosplines |
1 |
0 |
0 |
100% |
| gpaw/setup.py |
PartialWaveBasis.get_description |
3 |
0 |
0 |
100% |
| gpaw/setup.py |
Setups.__init__ |
55 |
1 |
0 |
98% |
| gpaw/setup.py |
Setups.__str__ |
15 |
0 |
0 |
100% |
| gpaw/setup.py |
Setups.set_symmetry |
2 |
0 |
0 |
100% |
| gpaw/setup.py |
Setups.empty_atomic_matrix |
2 |
0 |
0 |
100% |
| gpaw/setup.py |
Setups.estimate_dedecut |
9 |
9 |
0 |
0% |
| gpaw/setup.py |
Setups.basis_indices |
1 |
0 |
0 |
100% |
| gpaw/setup.py |
Setups.projector_indices |
1 |
0 |
0 |
100% |
| gpaw/setup.py |
Setups.create_pseudo_core_densities |
9 |
1 |
0 |
89% |
| gpaw/setup.py |
Setups.create_pseudo_core_ked |
1 |
0 |
0 |
100% |
| gpaw/setup.py |
Setups.create_local_potentials |
1 |
0 |
0 |
100% |
| gpaw/setup.py |
Setups.create_compensation_charges |
4 |
0 |
0 |
100% |
| gpaw/setup.py |
Setups.get_overlap_corrections |
9 |
0 |
0 |
100% |
| gpaw/setup.py |
Setups.partial_wave_corrections |
14 |
0 |
0 |
100% |
| gpaw/setup.py |
FunctionIndices.__init__ |
7 |
0 |
0 |
100% |
| gpaw/setup.py |
FunctionIndices.__getitem__ |
1 |
0 |
0 |
100% |
| gpaw/setup.py |
CachedYukawaInteractions.__init__ |
2 |
0 |
0 |
100% |
| gpaw/setup.py |
CachedYukawaInteractions.get_Mg_pp |
4 |
0 |
0 |
100% |
| gpaw/setup.py |
types2atomtypes |
14 |
0 |
0 |
100% |
| gpaw/setup.py |
(no function) |
82 |
2 |
0 |
98% |
| gpaw/setup_data.py |
SetupData.__init__ |
60 |
1 |
0 |
98% |
| gpaw/setup_data.py |
SetupData.find_and_read_path |
6 |
0 |
0 |
100% |
| gpaw/setup_data.py |
SetupData.stdfilename |
5 |
0 |
0 |
100% |
| gpaw/setup_data.py |
SetupData.__repr__ |
1 |
0 |
0 |
100% |
| gpaw/setup_data.py |
SetupData.append |
8 |
0 |
0 |
100% |
| gpaw/setup_data.py |
SetupData.read_xml |
3 |
0 |
0 |
100% |
| gpaw/setup_data.py |
SetupData.is_compatible |
1 |
0 |
0 |
100% |
| gpaw/setup_data.py |
SetupData.print_info |
28 |
0 |
0 |
100% |
| gpaw/setup_data.py |
SetupData.create_compensation_charge_functions |
2 |
0 |
0 |
100% |
| gpaw/setup_data.py |
SetupData.get_smooth_core_density_integral |
1 |
0 |
0 |
100% |
| gpaw/setup_data.py |
SetupData.get_overlap_correction |
1 |
0 |
0 |
100% |
| gpaw/setup_data.py |
SetupData.get_linear_kinetic_correction |
8 |
0 |
0 |
100% |
| gpaw/setup_data.py |
SetupData.find_core_density_cutoff |
9 |
0 |
0 |
100% |
| gpaw/setup_data.py |
SetupData.get_xc_correction |
5 |
0 |
0 |
100% |
| gpaw/setup_data.py |
SetupData.write_xml |
4 |
0 |
0 |
100% |
| gpaw/setup_data.py |
SetupData._write_xml |
97 |
8 |
0 |
92% |
| gpaw/setup_data.py |
SetupData.build |
3 |
0 |
0 |
100% |
| gpaw/setup_data.py |
read_maybe_unzipping |
6 |
0 |
0 |
100% |
| gpaw/setup_data.py |
search_for_file |
22 |
1 |
0 |
95% |
| gpaw/setup_data.py |
PAWXMLParser.__init__ |
4 |
0 |
0 |
100% |
| gpaw/setup_data.py |
PAWXMLParser.parse |
11 |
5 |
0 |
55% |
| gpaw/setup_data.py |
PAWXMLParser.startElement |
107 |
11 |
0 |
90% |
| gpaw/setup_data.py |
PAWXMLParser.characters |
2 |
0 |
0 |
100% |
| gpaw/setup_data.py |
PAWXMLParser.endElement |
51 |
2 |
0 |
96% |
| gpaw/setup_data.py |
(no function) |
45 |
0 |
0 |
100% |
| gpaw/solvation/__init__.py |
get_HW14_water_kwargs |
7 |
0 |
0 |
100% |
| gpaw/solvation/__init__.py |
(no function) |
6 |
0 |
0 |
100% |
| gpaw/solvation/calculator.py |
SolvationGPAW |
5 |
3 |
0 |
40% |
| gpaw/solvation/calculator.py |
OldSolvationGPAW.__init__ |
11 |
0 |
0 |
100% |
| gpaw/solvation/calculator.py |
OldSolvationGPAW.read |
37 |
4 |
0 |
89% |
| gpaw/solvation/calculator.py |
OldSolvationGPAW._write |
3 |
0 |
0 |
100% |
| gpaw/solvation/calculator.py |
OldSolvationGPAW.create_hamiltonian |
6 |
1 |
0 |
83% |
| gpaw/solvation/calculator.py |
OldSolvationGPAW.initialize_positions |
3 |
0 |
0 |
100% |
| gpaw/solvation/calculator.py |
OldSolvationGPAW.get_electrostatic_energy |
1 |
0 |
0 |
100% |
| gpaw/solvation/calculator.py |
OldSolvationGPAW.get_solvation_interaction_energy |
1 |
0 |
0 |
100% |
| gpaw/solvation/calculator.py |
OldSolvationGPAW.get_cavity_volume |
2 |
2 |
0 |
0% |
| gpaw/solvation/calculator.py |
OldSolvationGPAW.get_cavity_surface |
2 |
2 |
0 |
0% |
| gpaw/solvation/calculator.py |
(no function) |
17 |
0 |
0 |
100% |
| gpaw/solvation/cavity.py |
set_log_and_check_radii |
14 |
0 |
0 |
100% |
| gpaw/solvation/cavity.py |
get_pbc_positions |
16 |
0 |
0 |
100% |
| gpaw/solvation/cavity.py |
Cavity.__init__ |
12 |
2 |
0 |
83% |
| gpaw/solvation/cavity.py |
Cavity.todict |
6 |
6 |
0 |
0% |
| gpaw/solvation/cavity.py |
Cavity.from_dict |
3 |
3 |
0 |
0% |
| gpaw/solvation/cavity.py |
Cavity.write |
1 |
1 |
0 |
0% |
| gpaw/solvation/cavity.py |
Cavity.read |
1 |
1 |
0 |
0% |
| gpaw/solvation/cavity.py |
Cavity.estimate_memory |
7 |
0 |
0 |
100% |
| gpaw/solvation/cavity.py |
Cavity.update |
1 |
1 |
0 |
0% |
| gpaw/solvation/cavity.py |
Cavity.update_vol_surf |
4 |
0 |
0 |
100% |
| gpaw/solvation/cavity.py |
Cavity.communicate_vol_surf |
12 |
0 |
0 |
100% |
| gpaw/solvation/cavity.py |
Cavity.allocate |
9 |
0 |
0 |
100% |
| gpaw/solvation/cavity.py |
Cavity.set_grid_descriptor |
5 |
0 |
0 |
100% |
| gpaw/solvation/cavity.py |
Cavity.get_del_r_vg |
1 |
1 |
0 |
0% |
| gpaw/solvation/cavity.py |
Cavity.depends_on_el_density |
1 |
1 |
0 |
0% |
| gpaw/solvation/cavity.py |
Cavity.depends_on_atomic_positions |
1 |
1 |
0 |
0% |
| gpaw/solvation/cavity.py |
Cavity.__str__ |
7 |
0 |
0 |
100% |
| gpaw/solvation/cavity.py |
Cavity.update_atoms |
1 |
1 |
0 |
0% |
| gpaw/solvation/cavity.py |
Cavity.summary |
4 |
0 |
0 |
100% |
| gpaw/solvation/cavity.py |
EffectivePotentialCavity.__init__ |
4 |
0 |
0 |
100% |
| gpaw/solvation/cavity.py |
EffectivePotentialCavity.todict |
1 |
1 |
0 |
0% |
| gpaw/solvation/cavity.py |
EffectivePotentialCavity.write |
1 |
0 |
0 |
100% |
| gpaw/solvation/cavity.py |
EffectivePotentialCavity.read |
5 |
5 |
0 |
0% |
| gpaw/solvation/cavity.py |
EffectivePotentialCavity.estimate_memory |
2 |
0 |
0 |
100% |
| gpaw/solvation/cavity.py |
EffectivePotentialCavity.set_grid_descriptor |
2 |
0 |
0 |
100% |
| gpaw/solvation/cavity.py |
EffectivePotentialCavity.allocate |
2 |
0 |
0 |
100% |
| gpaw/solvation/cavity.py |
EffectivePotentialCavity.update |
13 |
3 |
0 |
77% |
| gpaw/solvation/cavity.py |
EffectivePotentialCavity.get_del_r_vg |
3 |
0 |
0 |
100% |
| gpaw/solvation/cavity.py |
EffectivePotentialCavity.depends_on_el_density |
1 |
0 |
0 |
100% |
| gpaw/solvation/cavity.py |
EffectivePotentialCavity.depends_on_atomic_positions |
1 |
0 |
0 |
100% |
| gpaw/solvation/cavity.py |
EffectivePotentialCavity.__str__ |
5 |
0 |
0 |
100% |
| gpaw/solvation/cavity.py |
EffectivePotentialCavity.update_atoms |
1 |
0 |
0 |
100% |
| gpaw/solvation/cavity.py |
EffectivePotentialCavity.get_grad_inner |
1 |
0 |
0 |
100% |
| gpaw/solvation/cavity.py |
EffectivePotentialCavity.get_del_outer_del_inner |
1 |
0 |
0 |
100% |
| gpaw/solvation/cavity.py |
Potential.__init__ |
4 |
0 |
0 |
100% |
| gpaw/solvation/cavity.py |
Potential.from_dict |
9 |
7 |
0 |
22% |
| gpaw/solvation/cavity.py |
Potential.depends_on_el_density |
1 |
1 |
0 |
0% |
| gpaw/solvation/cavity.py |
Potential.depends_on_atomic_positions |
1 |
1 |
0 |
0% |
| gpaw/solvation/cavity.py |
Potential.estimate_memory |
3 |
0 |
0 |
100% |
| gpaw/solvation/cavity.py |
Potential.allocate |
5 |
1 |
0 |
80% |
| gpaw/solvation/cavity.py |
Potential.update |
1 |
1 |
0 |
0% |
| gpaw/solvation/cavity.py |
Potential.get_del_r_vg |
1 |
1 |
0 |
0% |
| gpaw/solvation/cavity.py |
Potential.__str__ |
1 |
0 |
0 |
100% |
| gpaw/solvation/cavity.py |
Potential.update_atoms |
1 |
1 |
0 |
0% |
| gpaw/solvation/cavity.py |
get_vdw_radii |
1 |
1 |
0 |
0% |
| gpaw/solvation/cavity.py |
Power12Potential.__init__ |
11 |
0 |
0 |
100% |
| gpaw/solvation/cavity.py |
Power12Potential.todict |
1 |
1 |
0 |
0% |
| gpaw/solvation/cavity.py |
Power12Potential.estimate_memory |
4 |
0 |
0 |
100% |
| gpaw/solvation/cavity.py |
Power12Potential.allocate |
3 |
0 |
0 |
100% |
| gpaw/solvation/cavity.py |
Power12Potential.update |
25 |
0 |
0 |
100% |
| gpaw/solvation/cavity.py |
Power12Potential.get_del_r_vg |
14 |
0 |
0 |
100% |
| gpaw/solvation/cavity.py |
Power12Potential.__str__ |
5 |
0 |
0 |
100% |
| gpaw/solvation/cavity.py |
Power12Potential.update_atoms |
1 |
0 |
0 |
100% |
| gpaw/solvation/cavity.py |
Power12Potential.write |
1 |
0 |
0 |
100% |
| gpaw/solvation/cavity.py |
SmoothStepCavity.__init__ |
3 |
0 |
0 |
100% |
| gpaw/solvation/cavity.py |
SmoothStepCavity.depends_on_el_density |
1 |
0 |
0 |
100% |
| gpaw/solvation/cavity.py |
SmoothStepCavity.depends_on_atomic_positions |
1 |
0 |
0 |
100% |
| gpaw/solvation/cavity.py |
SmoothStepCavity.set_grid_descriptor |
2 |
0 |
0 |
100% |
| gpaw/solvation/cavity.py |
SmoothStepCavity.estimate_memory |
3 |
0 |
0 |
100% |
| gpaw/solvation/cavity.py |
SmoothStepCavity.allocate |
3 |
0 |
0 |
100% |
| gpaw/solvation/cavity.py |
SmoothStepCavity.update |
10 |
0 |
0 |
100% |
| gpaw/solvation/cavity.py |
SmoothStepCavity.update_smooth_step |
1 |
1 |
0 |
0% |
| gpaw/solvation/cavity.py |
SmoothStepCavity.get_del_r_vg |
1 |
0 |
0 |
100% |
| gpaw/solvation/cavity.py |
SmoothStepCavity.__str__ |
3 |
0 |
0 |
100% |
| gpaw/solvation/cavity.py |
SmoothStepCavity.update_atoms |
1 |
0 |
0 |
100% |
| gpaw/solvation/cavity.py |
SmoothStepCavity.get_grad_inner |
1 |
0 |
0 |
100% |
| gpaw/solvation/cavity.py |
SmoothStepCavity.get_del_outer_del_inner |
1 |
0 |
0 |
100% |
| gpaw/solvation/cavity.py |
Density.__init__ |
4 |
0 |
0 |
100% |
| gpaw/solvation/cavity.py |
Density.estimate_memory |
5 |
0 |
0 |
100% |
| gpaw/solvation/cavity.py |
Density.allocate |
5 |
0 |
0 |
100% |
| gpaw/solvation/cavity.py |
Density.update |
1 |
1 |
0 |
0% |
| gpaw/solvation/cavity.py |
Density.depends_on_el_density |
1 |
1 |
0 |
0% |
| gpaw/solvation/cavity.py |
Density.depends_on_atomic_positions |
1 |
1 |
0 |
0% |
| gpaw/solvation/cavity.py |
Density.__str__ |
1 |
0 |
0 |
100% |
| gpaw/solvation/cavity.py |
Density.update_atoms |
1 |
0 |
0 |
100% |
| gpaw/solvation/cavity.py |
FDGradientDensity.__init__ |
4 |
0 |
0 |
100% |
| gpaw/solvation/cavity.py |
FDGradientDensity.allocate |
2 |
0 |
0 |
100% |
| gpaw/solvation/cavity.py |
FDGradientDensity.update |
4 |
0 |
0 |
100% |
| gpaw/solvation/cavity.py |
FDGradientDensity.update_gradient |
5 |
1 |
0 |
80% |
| gpaw/solvation/cavity.py |
ElDensity.__init__ |
1 |
0 |
0 |
100% |
| gpaw/solvation/cavity.py |
ElDensity.allocate |
2 |
0 |
0 |
100% |
| gpaw/solvation/cavity.py |
ElDensity.update_only_density |
3 |
0 |
0 |
100% |
| gpaw/solvation/cavity.py |
SSS09Density.__init__ |
9 |
0 |
0 |
100% |
| gpaw/solvation/cavity.py |
SSS09Density.estimate_memory |
4 |
0 |
0 |
100% |
| gpaw/solvation/cavity.py |
SSS09Density.allocate |
3 |
0 |
0 |
100% |
| gpaw/solvation/cavity.py |
SSS09Density.update_only_density |
14 |
0 |
0 |
100% |
| gpaw/solvation/cavity.py |
SSS09Density.get_del_r_vg |
13 |
0 |
0 |
100% |
| gpaw/solvation/cavity.py |
SSS09Density.__str__ |
4 |
0 |
0 |
100% |
| gpaw/solvation/cavity.py |
SSS09Density.update_atoms |
1 |
0 |
0 |
100% |
| gpaw/solvation/cavity.py |
ADM12SmoothStepCavity.__init__ |
4 |
0 |
0 |
100% |
| gpaw/solvation/cavity.py |
ADM12SmoothStepCavity.update_smooth_step |
14 |
2 |
0 |
86% |
| gpaw/solvation/cavity.py |
ADM12SmoothStepCavity._get_t_dt |
7 |
0 |
0 |
100% |
| gpaw/solvation/cavity.py |
ADM12SmoothStepCavity.__str__ |
5 |
0 |
0 |
100% |
| gpaw/solvation/cavity.py |
FG02SmoothStepCavity.__init__ |
3 |
0 |
0 |
100% |
| gpaw/solvation/cavity.py |
FG02SmoothStepCavity.update_smooth_step |
5 |
0 |
0 |
100% |
| gpaw/solvation/cavity.py |
FG02SmoothStepCavity.__str__ |
4 |
0 |
0 |
100% |
| gpaw/solvation/cavity.py |
SurfaceCalculator.__init__ |
3 |
0 |
0 |
100% |
| gpaw/solvation/cavity.py |
SurfaceCalculator.write |
1 |
1 |
0 |
0% |
| gpaw/solvation/cavity.py |
SurfaceCalculator.read |
1 |
1 |
0 |
0% |
| gpaw/solvation/cavity.py |
SurfaceCalculator.estimate_memory |
1 |
0 |
0 |
100% |
| gpaw/solvation/cavity.py |
SurfaceCalculator.allocate |
2 |
0 |
0 |
100% |
| gpaw/solvation/cavity.py |
SurfaceCalculator.__str__ |
1 |
1 |
0 |
0% |
| gpaw/solvation/cavity.py |
SurfaceCalculator.update |
1 |
1 |
0 |
0% |
| gpaw/solvation/cavity.py |
GradientSurface.__init__ |
6 |
0 |
0 |
100% |
| gpaw/solvation/cavity.py |
GradientSurface.todict |
1 |
1 |
0 |
0% |
| gpaw/solvation/cavity.py |
GradientSurface.write |
1 |
0 |
0 |
100% |
| gpaw/solvation/cavity.py |
GradientSurface.__str__ |
1 |
0 |
0 |
100% |
| gpaw/solvation/cavity.py |
GradientSurface.read |
1 |
1 |
0 |
0% |
| gpaw/solvation/cavity.py |
GradientSurface.estimate_memory |
4 |
0 |
0 |
100% |
| gpaw/solvation/cavity.py |
GradientSurface.allocate |
5 |
0 |
0 |
100% |
| gpaw/solvation/cavity.py |
GradientSurface.update |
14 |
1 |
0 |
93% |
| gpaw/solvation/cavity.py |
GradientSurface.calc_div |
5 |
0 |
0 |
100% |
| gpaw/solvation/cavity.py |
VolumeCalculator.__init__ |
3 |
0 |
0 |
100% |
| gpaw/solvation/cavity.py |
VolumeCalculator.estimate_memory |
1 |
0 |
0 |
100% |
| gpaw/solvation/cavity.py |
VolumeCalculator.allocate |
2 |
0 |
0 |
100% |
| gpaw/solvation/cavity.py |
VolumeCalculator.__str__ |
1 |
0 |
0 |
100% |
| gpaw/solvation/cavity.py |
VolumeCalculator.update |
1 |
1 |
0 |
0% |
| gpaw/solvation/cavity.py |
KB51Volume.__init__ |
3 |
0 |
0 |
100% |
| gpaw/solvation/cavity.py |
KB51Volume.todict |
1 |
1 |
0 |
0% |
| gpaw/solvation/cavity.py |
KB51Volume.__str__ |
4 |
0 |
0 |
100% |
| gpaw/solvation/cavity.py |
KB51Volume.allocate |
2 |
0 |
0 |
100% |
| gpaw/solvation/cavity.py |
KB51Volume.update |
3 |
0 |
0 |
100% |
| gpaw/solvation/cavity.py |
(no function) |
162 |
0 |
0 |
100% |
| gpaw/solvation/dielectric.py |
Dielectric.__init__ |
5 |
0 |
0 |
100% |
| gpaw/solvation/dielectric.py |
Dielectric.todict |
1 |
1 |
0 |
0% |
| gpaw/solvation/dielectric.py |
Dielectric.from_dict |
3 |
3 |
0 |
0% |
| gpaw/solvation/dielectric.py |
Dielectric.estimate_memory |
4 |
0 |
0 |
100% |
| gpaw/solvation/dielectric.py |
Dielectric.allocate |
7 |
0 |
0 |
100% |
| gpaw/solvation/dielectric.py |
Dielectric.epsinf |
1 |
0 |
0 |
100% |
| gpaw/solvation/dielectric.py |
Dielectric.epsinf |
5 |
0 |
0 |
100% |
| gpaw/solvation/dielectric.py |
Dielectric.update |
4 |
0 |
0 |
100% |
| gpaw/solvation/dielectric.py |
Dielectric.update_eps_only |
1 |
1 |
0 |
0% |
| gpaw/solvation/dielectric.py |
Dielectric.__str__ |
4 |
0 |
0 |
100% |
| gpaw/solvation/dielectric.py |
Dielectric.write |
1 |
1 |
0 |
0% |
| gpaw/solvation/dielectric.py |
LinearDielectric.allocate |
2 |
0 |
0 |
100% |
| gpaw/solvation/dielectric.py |
LinearDielectric.update_eps_only |
2 |
0 |
0 |
100% |
| gpaw/solvation/dielectric.py |
LinearDielectric.write |
1 |
0 |
0 |
100% |
| gpaw/solvation/dielectric.py |
CMDielectric.update_eps_only |
4 |
4 |
0 |
0% |
| gpaw/solvation/dielectric.py |
(no function) |
23 |
0 |
0 |
100% |
| gpaw/solvation/gridmem.py |
NeedsGD.__init__ |
1 |
0 |
0 |
100% |
| gpaw/solvation/gridmem.py |
NeedsGD.set_grid_descriptor |
1 |
0 |
0 |
100% |
| gpaw/solvation/gridmem.py |
NeedsGD.allocate |
1 |
0 |
0 |
100% |
| gpaw/solvation/gridmem.py |
NeedsGD.estimate_memory |
1 |
1 |
0 |
0% |
| gpaw/solvation/gridmem.py |
(no function) |
5 |
0 |
0 |
100% |
| gpaw/solvation/hamiltonian.py |
SolvationRealSpaceHamiltonian.__init__ |
18 |
0 |
0 |
100% |
| gpaw/solvation/hamiltonian.py |
SolvationRealSpaceHamiltonian.__str__ |
5 |
0 |
0 |
100% |
| gpaw/solvation/hamiltonian.py |
SolvationRealSpaceHamiltonian.estimate_memory |
4 |
0 |
0 |
100% |
| gpaw/solvation/hamiltonian.py |
SolvationRealSpaceHamiltonian.update_atoms |
5 |
0 |
0 |
100% |
| gpaw/solvation/hamiltonian.py |
SolvationRealSpaceHamiltonian.initialize |
7 |
0 |
0 |
100% |
| gpaw/solvation/hamiltonian.py |
SolvationRealSpaceHamiltonian.update |
41 |
0 |
0 |
100% |
| gpaw/solvation/hamiltonian.py |
SolvationRealSpaceHamiltonian.update_pseudo_potential |
10 |
0 |
0 |
100% |
| gpaw/solvation/hamiltonian.py |
SolvationRealSpaceHamiltonian.calculate_forces |
13 |
4 |
0 |
69% |
| gpaw/solvation/hamiltonian.py |
SolvationRealSpaceHamiltonian.el_force_correction |
8 |
0 |
0 |
100% |
| gpaw/solvation/hamiltonian.py |
SolvationRealSpaceHamiltonian.get_energy |
7 |
0 |
0 |
100% |
| gpaw/solvation/hamiltonian.py |
SolvationRealSpaceHamiltonian.grad_squared |
11 |
0 |
0 |
100% |
| gpaw/solvation/hamiltonian.py |
SolvationRealSpaceHamiltonian.summary |
22 |
0 |
0 |
100% |
| gpaw/solvation/hamiltonian.py |
(no function) |
19 |
0 |
0 |
100% |
| gpaw/solvation/interactions.py |
Interaction.__init__ |
4 |
0 |
0 |
100% |
| gpaw/solvation/interactions.py |
Interaction.from_dict |
11 |
11 |
0 |
0% |
| gpaw/solvation/interactions.py |
Interaction.write |
1 |
1 |
0 |
0% |
| gpaw/solvation/interactions.py |
Interaction.update |
1 |
1 |
0 |
0% |
| gpaw/solvation/interactions.py |
Interaction.estimate_memory |
2 |
0 |
0 |
100% |
| gpaw/solvation/interactions.py |
Interaction.allocate |
4 |
0 |
0 |
100% |
| gpaw/solvation/interactions.py |
Interaction.depends_on_atomic_positions |
1 |
1 |
0 |
0% |
| gpaw/solvation/interactions.py |
Interaction.depends_on_el_density |
1 |
1 |
0 |
0% |
| gpaw/solvation/interactions.py |
Interaction.get_del_r_vg |
1 |
1 |
0 |
0% |
| gpaw/solvation/interactions.py |
Interaction.__str__ |
3 |
0 |
0 |
100% |
| gpaw/solvation/interactions.py |
Interaction.update_atoms |
1 |
0 |
0 |
100% |
| gpaw/solvation/interactions.py |
SurfaceInteraction.__init__ |
2 |
0 |
0 |
100% |
| gpaw/solvation/interactions.py |
SurfaceInteraction.todict |
1 |
1 |
0 |
0% |
| gpaw/solvation/interactions.py |
SurfaceInteraction.write |
1 |
0 |
0 |
100% |
| gpaw/solvation/interactions.py |
SurfaceInteraction.update |
7 |
0 |
0 |
100% |
| gpaw/solvation/interactions.py |
SurfaceInteraction.__str__ |
3 |
0 |
0 |
100% |
| gpaw/solvation/interactions.py |
VolumeInteraction.__init__ |
2 |
0 |
0 |
100% |
| gpaw/solvation/interactions.py |
VolumeInteraction.todict |
1 |
1 |
0 |
0% |
| gpaw/solvation/interactions.py |
VolumeInteraction.update |
7 |
0 |
0 |
100% |
| gpaw/solvation/interactions.py |
VolumeInteraction.__str__ |
3 |
0 |
0 |
100% |
| gpaw/solvation/interactions.py |
LeakedDensityInteraction.__init__ |
2 |
0 |
0 |
100% |
| gpaw/solvation/interactions.py |
LeakedDensityInteraction.todict |
1 |
1 |
0 |
0% |
| gpaw/solvation/interactions.py |
LeakedDensityInteraction.update |
6 |
0 |
0 |
100% |
| gpaw/solvation/interactions.py |
LeakedDensityInteraction.__str__ |
3 |
0 |
0 |
100% |
| gpaw/solvation/interactions.py |
(no function) |
44 |
0 |
0 |
100% |
| gpaw/solvation/poisson.py |
SolvationPoissonSolver.__init__ |
5 |
2 |
0 |
60% |
| gpaw/solvation/poisson.py |
SolvationPoissonSolver.set_dielectric |
1 |
0 |
0 |
100% |
| gpaw/solvation/poisson.py |
SolvationPoissonSolver.load_gauss |
17 |
0 |
0 |
100% |
| gpaw/solvation/poisson.py |
WeightedFDPoissonSolver.create_laplace |
3 |
0 |
0 |
100% |
| gpaw/solvation/poisson.py |
WeightedFDPoissonSolver.solve |
8 |
3 |
0 |
62% |
| gpaw/solvation/poisson.py |
WeightedFDPoissonSolver.restrict_op_weights |
6 |
0 |
0 |
100% |
| gpaw/solvation/poisson.py |
WeightedFDPoissonSolver.get_description |
2 |
0 |
0 |
100% |
| gpaw/solvation/poisson.py |
WeightedFDPoissonSolver._init |
9 |
0 |
0 |
100% |
| gpaw/solvation/poisson.py |
PolarizationPoissonSolver.__init__ |
5 |
0 |
0 |
100% |
| gpaw/solvation/poisson.py |
PolarizationPoissonSolver.set_dielectric |
1 |
0 |
0 |
100% |
| gpaw/solvation/poisson.py |
PolarizationPoissonSolver.get_description |
1 |
1 |
0 |
0% |
| gpaw/solvation/poisson.py |
PolarizationPoissonSolver.set_grid_descriptor |
2 |
0 |
0 |
100% |
| gpaw/solvation/poisson.py |
PolarizationPoissonSolver.solve |
13 |
2 |
0 |
85% |
| gpaw/solvation/poisson.py |
PolarizationPoissonSolver.rho_with_polarization_charge |
9 |
0 |
0 |
100% |
| gpaw/solvation/poisson.py |
PolarizationPoissonSolver.estimate_memory |
1 |
1 |
0 |
0% |
| gpaw/solvation/poisson.py |
PolarizationPoissonSolver.todict |
3 |
3 |
0 |
0% |
| gpaw/solvation/poisson.py |
ADM12PoissonSolver.__init__ |
4 |
0 |
0 |
100% |
| gpaw/solvation/poisson.py |
ADM12PoissonSolver.set_grid_descriptor |
4 |
0 |
0 |
100% |
| gpaw/solvation/poisson.py |
ADM12PoissonSolver.get_description |
4 |
1 |
0 |
75% |
| gpaw/solvation/poisson.py |
ADM12PoissonSolver._init |
5 |
0 |
0 |
100% |
| gpaw/solvation/poisson.py |
ADM12PoissonSolver.solve |
6 |
1 |
0 |
83% |
| gpaw/solvation/poisson.py |
ADM12PoissonSolver.solve_neutral |
3 |
0 |
0 |
100% |
| gpaw/solvation/poisson.py |
ADM12PoissonSolver.iterate2 |
12 |
0 |
0 |
100% |
| gpaw/solvation/poisson.py |
(no function) |
36 |
0 |
0 |
100% |
| gpaw/solvation/sjm.py |
SJM |
6 |
4 |
0 |
33% |
| gpaw/solvation/sjm.py |
OldSJM.__init__ |
6 |
1 |
0 |
83% |
| gpaw/solvation/sjm.py |
OldSJM.set |
79 |
27 |
0 |
66% |
| gpaw/solvation/sjm.py |
OldSJM._quick_reinitialization |
9 |
1 |
0 |
89% |
| gpaw/solvation/sjm.py |
OldSJM.calculate |
30 |
7 |
0 |
77% |
| gpaw/solvation/sjm.py |
OldSJM._equilibrate_potential |
84 |
32 |
0 |
62% |
| gpaw/solvation/sjm.py |
OldSJM.write_sjm_traces |
9 |
9 |
0 |
0% |
| gpaw/solvation/sjm.py |
OldSJM.summary |
21 |
0 |
0 |
100% |
| gpaw/solvation/sjm.py |
OldSJM._create_jellium |
66 |
31 |
0 |
53% |
| gpaw/solvation/sjm.py |
OldSJM.get_electrode_potential |
17 |
5 |
0 |
71% |
| gpaw/solvation/sjm.py |
OldSJM.get_inner_potential |
22 |
7 |
0 |
68% |
| gpaw/solvation/sjm.py |
OldSJM.fill_cip_keywords |
10 |
1 |
0 |
90% |
| gpaw/solvation/sjm.py |
OldSJM.initialize |
6 |
3 |
0 |
50% |
| gpaw/solvation/sjm.py |
OldSJM.create_hamiltonian |
5 |
1 |
0 |
80% |
| gpaw/solvation/sjm.py |
_write_trace_in_z |
5 |
5 |
0 |
0% |
| gpaw/solvation/sjm.py |
_write_property_on_grid |
2 |
2 |
0 |
0% |
| gpaw/solvation/sjm.py |
_calculate_slope |
2 |
0 |
0 |
100% |
| gpaw/solvation/sjm.py |
SJMPower12Potential.__init__ |
4 |
0 |
0 |
100% |
| gpaw/solvation/sjm.py |
SJMPower12Potential.todict |
1 |
1 |
0 |
0% |
| gpaw/solvation/sjm.py |
SJMPower12Potential.__str__ |
4 |
0 |
0 |
100% |
| gpaw/solvation/sjm.py |
SJMPower12Potential.write |
1 |
0 |
0 |
100% |
| gpaw/solvation/sjm.py |
SJMPower12Potential.update |
88 |
56 |
0 |
36% |
| gpaw/solvation/sjm.py |
SJM_RealSpaceHamiltonian.__init__ |
25 |
3 |
0 |
88% |
| gpaw/solvation/sjm.py |
SJM_RealSpaceHamiltonian.initialize |
9 |
1 |
0 |
89% |
| gpaw/solvation/sjm.py |
CavityShapedJellium.__init__ |
3 |
3 |
0 |
0% |
| gpaw/solvation/sjm.py |
CavityShapedJellium.todict |
3 |
3 |
0 |
0% |
| gpaw/solvation/sjm.py |
CavityShapedJellium.get_mask |
4 |
4 |
0 |
0% |
| gpaw/solvation/sjm.py |
SJMDipoleCorrection.__init__ |
5 |
0 |
0 |
100% |
| gpaw/solvation/sjm.py |
SJMDipoleCorrection.solve |
5 |
2 |
0 |
60% |
| gpaw/solvation/sjm.py |
SJMDipoleCorrection.fd_solv_solve |
31 |
0 |
0 |
100% |
| gpaw/solvation/sjm.py |
SJMDipoleCorrection.sjm_sawtooth |
14 |
0 |
0 |
100% |
| gpaw/solvation/sjm.py |
(no function) |
68 |
0 |
0 |
100% |
| gpaw/sphere/integrate.py |
integrate_lebedev |
1 |
0 |
0 |
100% |
| gpaw/sphere/integrate.py |
integrate_radial_grid |
4 |
0 |
0 |
100% |
| gpaw/sphere/integrate.py |
truncate_radial_grid |
16 |
0 |
0 |
100% |
| gpaw/sphere/integrate.py |
find_two_closest_grid_points |
5 |
0 |
0 |
100% |
| gpaw/sphere/integrate.py |
radial_trapz |
10 |
0 |
0 |
100% |
| gpaw/sphere/integrate.py |
radial_truncation_function |
16 |
0 |
0 |
100% |
| gpaw/sphere/integrate.py |
radial_truncation_function.f |
3 |
0 |
0 |
100% |
| gpaw/sphere/integrate.py |
find_volume_conserving_lambd |
9 |
1 |
0 |
89% |
| gpaw/sphere/integrate.py |
find_volume_conserving_lambd.integration_volume_error |
3 |
0 |
0 |
100% |
| gpaw/sphere/integrate.py |
periodic_truncation_function |
4 |
0 |
0 |
100% |
| gpaw/sphere/integrate.py |
spherical_truncation_function_collection |
13 |
0 |
0 |
100% |
| gpaw/sphere/integrate.py |
radial_truncation_function_spline |
6 |
0 |
0 |
100% |
| gpaw/sphere/integrate.py |
default_spherical_drcut |
2 |
0 |
0 |
100% |
| gpaw/sphere/integrate.py |
_uniform_radial_grid |
1 |
0 |
0 |
100% |
| gpaw/sphere/integrate.py |
(no function) |
29 |
11 |
0 |
62% |
| gpaw/sphere/lebedev.py |
run |
53 |
0 |
0 |
100% |
| gpaw/sphere/lebedev.py |
(no function) |
7 |
1 |
0 |
86% |
| gpaw/sphere/rshe.py |
RealSphericalHarmonicsExpansion.__init__ |
7 |
0 |
0 |
100% |
| gpaw/sphere/rshe.py |
RealSphericalHarmonicsExpansion.from_spherical_grid |
3 |
0 |
0 |
100% |
| gpaw/sphere/rshe.py |
RealSphericalHarmonicsExpansion.reduce_expansion |
6 |
0 |
0 |
100% |
| gpaw/sphere/rshe.py |
RealSphericalHarmonicsExpansion.nL |
1 |
0 |
0 |
100% |
| gpaw/sphere/rshe.py |
RealSphericalHarmonicsExpansion.nM |
1 |
0 |
0 |
100% |
| gpaw/sphere/rshe.py |
RealSphericalHarmonicsExpansion.lmax |
4 |
0 |
0 |
100% |
| gpaw/sphere/rshe.py |
RealSphericalHarmonicsExpansion.l_L |
4 |
0 |
0 |
100% |
| gpaw/sphere/rshe.py |
RealSphericalHarmonicsExpansion.l_M |
1 |
0 |
0 |
100% |
| gpaw/sphere/rshe.py |
RealSphericalHarmonicsExpansion.evaluate_on_quadrature |
2 |
0 |
0 |
100% |
| gpaw/sphere/rshe.py |
calculate_reduced_rshe |
4 |
0 |
0 |
100% |
| gpaw/sphere/rshe.py |
assess_rshe_reduction |
17 |
0 |
0 |
100% |
| gpaw/sphere/rshe.py |
get_reduction_info_string |
10 |
0 |
0 |
100% |
| gpaw/sphere/rshe.py |
get_rshe_coefficient_info_string |
5 |
0 |
0 |
100% |
| gpaw/sphere/rshe.py |
(no function) |
23 |
0 |
0 |
100% |
| gpaw/spherical_harmonics.py |
Y |
4 |
0 |
0 |
100% |
| gpaw/spherical_harmonics.py |
Yarr |
5 |
0 |
0 |
100% |
| gpaw/spherical_harmonics.py |
nablarlYL |
8 |
0 |
0 |
100% |
| gpaw/spherical_harmonics.py |
gam |
6 |
0 |
0 |
100% |
| gpaw/spherical_harmonics.py |
Y0 |
7 |
0 |
0 |
100% |
| gpaw/spherical_harmonics.py |
S |
6 |
0 |
0 |
100% |
| gpaw/spherical_harmonics.py |
poly_coeffs |
10 |
0 |
0 |
100% |
| gpaw/spherical_harmonics.py |
fix_exponents |
12 |
0 |
0 |
100% |
| gpaw/spherical_harmonics.py |
print_YL_table_code |
21 |
0 |
0 |
100% |
| gpaw/spherical_harmonics.py |
write_c_code |
8 |
0 |
0 |
100% |
| gpaw/spherical_harmonics.py |
(no function) |
29 |
1 |
0 |
97% |
| gpaw/spinorbit.py |
WaveFunction.__init__ |
7 |
0 |
0 |
100% |
| gpaw/spinorbit.py |
WaveFunction.transform |
2 |
0 |
0 |
100% |
| gpaw/spinorbit.py |
WaveFunction.redistribute_atoms |
2 |
0 |
0 |
100% |
| gpaw/spinorbit.py |
WaveFunction.add_soc |
40 |
2 |
0 |
95% |
| gpaw/spinorbit.py |
WaveFunction.wavefunctions |
12 |
2 |
0 |
83% |
| gpaw/spinorbit.py |
WaveFunction.P_amj |
2 |
0 |
0 |
100% |
| gpaw/spinorbit.py |
WaveFunction.pdos_weights |
5 |
0 |
0 |
100% |
| gpaw/spinorbit.py |
BZWaveFunctions.__init__ |
18 |
0 |
0 |
100% |
| gpaw/spinorbit.py |
BZWaveFunctions.weights |
1 |
0 |
0 |
100% |
| gpaw/spinorbit.py |
BZWaveFunctions._calculate_occ_numbers_and_fermi_level |
12 |
1 |
0 |
92% |
| gpaw/spinorbit.py |
BZWaveFunctions.calculate_band_energy |
9 |
9 |
0 |
0% |
| gpaw/spinorbit.py |
BZWaveFunctions.__iter__ |
2 |
0 |
0 |
100% |
| gpaw/spinorbit.py |
BZWaveFunctions.__getitem__ |
1 |
0 |
0 |
100% |
| gpaw/spinorbit.py |
BZWaveFunctions.__len__ |
1 |
0 |
0 |
100% |
| gpaw/spinorbit.py |
BZWaveFunctions.eigenvalues |
1 |
0 |
0 |
100% |
| gpaw/spinorbit.py |
BZWaveFunctions.occupation_numbers |
1 |
1 |
0 |
0% |
| gpaw/spinorbit.py |
BZWaveFunctions.eigenvectors |
3 |
0 |
0 |
100% |
| gpaw/spinorbit.py |
BZWaveFunctions.spin_projections |
1 |
1 |
0 |
0% |
| gpaw/spinorbit.py |
BZWaveFunctions.get_atomic_density_matrices |
12 |
0 |
0 |
100% |
| gpaw/spinorbit.py |
BZWaveFunctions.get_orbital_magnetic_moments |
3 |
0 |
0 |
100% |
| gpaw/spinorbit.py |
BZWaveFunctions.pdos_weights |
2 |
0 |
0 |
100% |
| gpaw/spinorbit.py |
BZWaveFunctions.pdos_weights.func |
1 |
0 |
0 |
100% |
| gpaw/spinorbit.py |
BZWaveFunctions._collect |
26 |
9 |
0 |
65% |
| gpaw/spinorbit.py |
soc_eigenstates_raw |
15 |
0 |
0 |
100% |
| gpaw/spinorbit.py |
extract_ibz_wave_functions |
32 |
3 |
0 |
91% |
| gpaw/spinorbit.py |
soc_eigenstates |
30 |
5 |
0 |
83% |
| gpaw/spinorbit.py |
soc |
20 |
0 |
0 |
100% |
| gpaw/spinorbit.py |
projected_soc |
5 |
0 |
0 |
100% |
| gpaw/spinorbit.py |
get_radial_potential_derivative |
22 |
0 |
0 |
100% |
| gpaw/spinorbit.py |
get_anisotropy |
1 |
1 |
0 |
0% |
| gpaw/spinorbit.py |
get_magnetic_moments |
1 |
1 |
0 |
0% |
| gpaw/spinorbit.py |
get_parity_eigenvalues |
72 |
72 |
0 |
0% |
| gpaw/spinorbit.py |
get_L_vlmm |
64 |
0 |
0 |
100% |
| gpaw/spinorbit.py |
(no function) |
57 |
2 |
0 |
96% |
| gpaw/spline.py |
Spline.__init__ |
2 |
0 |
0 |
100% |
| gpaw/spline.py |
Spline.from_data |
4 |
0 |
0 |
100% |
| gpaw/spline.py |
Spline.get_cutoff |
1 |
0 |
0 |
100% |
| gpaw/spline.py |
Spline.get_angular_momentum_number |
1 |
0 |
0 |
100% |
| gpaw/spline.py |
Spline.get_npoints |
1 |
0 |
0 |
100% |
| gpaw/spline.py |
Spline.__repr__ |
1 |
1 |
0 |
0% |
| gpaw/spline.py |
Spline.get_value_and_derivative |
1 |
0 |
0 |
100% |
| gpaw/spline.py |
Spline.__call__ |
2 |
0 |
0 |
100% |
| gpaw/spline.py |
Spline.map |
4 |
0 |
0 |
100% |
| gpaw/spline.py |
Spline.__getstate__ |
4 |
0 |
0 |
100% |
| gpaw/spline.py |
Spline.__setstate__ |
3 |
0 |
0 |
100% |
| gpaw/spline.py |
Spline.get_functions |
13 |
13 |
0 |
0% |
| gpaw/spline.py |
(no function) |
18 |
0 |
0 |
100% |
| gpaw/stress.py |
calculate_stress |
63 |
2 |
0 |
97% |
| gpaw/stress.py |
(no function) |
5 |
0 |
0 |
100% |
| gpaw/symmetry.py |
frac |
8 |
0 |
0 |
100% |
| gpaw/symmetry.py |
sfrac |
3 |
0 |
0 |
100% |
| gpaw/symmetry.py |
Symmetry.__init__ |
14 |
0 |
0 |
100% |
| gpaw/symmetry.py |
Symmetry.analyze |
3 |
0 |
0 |
100% |
| gpaw/symmetry.py |
Symmetry.find_lattice_symmetry |
14 |
2 |
0 |
86% |
| gpaw/symmetry.py |
Symmetry.prune_symmetries_atoms |
46 |
2 |
0 |
96% |
| gpaw/symmetry.py |
Symmetry.check_one_symmetry |
14 |
0 |
0 |
100% |
| gpaw/symmetry.py |
Symmetry.check |
4 |
1 |
0 |
75% |
| gpaw/symmetry.py |
Symmetry.reduce |
1 |
0 |
0 |
100% |
| gpaw/symmetry.py |
Symmetry.check_grid |
5 |
0 |
0 |
100% |
| gpaw/symmetry.py |
Symmetry.symmetrize |
1 |
0 |
0 |
100% |
| gpaw/symmetry.py |
Symmetry.symmetrize_positions |
11 |
11 |
0 |
0% |
| gpaw/symmetry.py |
Symmetry.symmetrize_wavefunction |
13 |
13 |
0 |
0% |
| gpaw/symmetry.py |
Symmetry.symmetrize_forces |
6 |
0 |
0 |
100% |
| gpaw/symmetry.py |
Symmetry.__str__ |
24 |
0 |
0 |
100% |
| gpaw/symmetry.py |
map_k_points |
13 |
0 |
0 |
100% |
| gpaw/symmetry.py |
reduce_kpts |
39 |
9 |
0 |
77% |
| gpaw/symmetry.py |
map_k_points_fast |
21 |
0 |
0 |
100% |
| gpaw/symmetry.py |
aglomerate_points |
10 |
0 |
0 |
100% |
| gpaw/symmetry.py |
atoms2symmetry |
5 |
0 |
0 |
100% |
| gpaw/symmetry.py |
CLICommand.add_arguments |
5 |
0 |
0 |
100% |
| gpaw/symmetry.py |
CLICommand.run |
22 |
1 |
0 |
95% |
| gpaw/symmetry.py |
(no function) |
31 |
0 |
0 |
100% |
| gpaw/tddft/__init__.py |
KineticEnergyPreconditioner.__init__ |
2 |
2 |
0 |
0% |
| gpaw/tddft/__init__.py |
KineticEnergyPreconditioner.apply |
2 |
2 |
0 |
0% |
| gpaw/tddft/__init__.py |
InverseOverlapPreconditioner.__init__ |
1 |
1 |
0 |
0% |
| gpaw/tddft/__init__.py |
InverseOverlapPreconditioner.apply |
1 |
1 |
0 |
0% |
| gpaw/tddft/__init__.py |
FDTDDFTMode.__call__ |
3 |
0 |
0 |
100% |
| gpaw/tddft/__init__.py |
TDDFT.__init__ |
42 |
2 |
0 |
95% |
| gpaw/tddft/__init__.py |
TDDFT.tddft_init |
37 |
8 |
0 |
78% |
| gpaw/tddft/__init__.py |
TDDFT.create_wave_functions |
2 |
0 |
0 |
100% |
| gpaw/tddft/__init__.py |
TDDFT.read |
6 |
0 |
0 |
100% |
| gpaw/tddft/__init__.py |
TDDFT._write |
3 |
0 |
0 |
100% |
| gpaw/tddft/__init__.py |
TDDFT.propagate |
65 |
17 |
0 |
74% |
| gpaw/tddft/__init__.py |
TDDFT.propagate.warn_deprecated |
1 |
1 |
0 |
0% |
| gpaw/tddft/__init__.py |
TDDFT.initialize_dipole_moment_file |
12 |
12 |
0 |
0% |
| gpaw/tddft/__init__.py |
TDDFT.calculate_dipole_moment |
4 |
0 |
0 |
100% |
| gpaw/tddft/__init__.py |
TDDFT.update_dipole_moment_file |
4 |
4 |
0 |
0% |
| gpaw/tddft/__init__.py |
TDDFT.finalize_dipole_moment_file |
6 |
6 |
0 |
0% |
| gpaw/tddft/__init__.py |
TDDFT.update_eigenvalues |
19 |
0 |
0 |
100% |
| gpaw/tddft/__init__.py |
TDDFT.get_td_energy |
9 |
2 |
0 |
78% |
| gpaw/tddft/__init__.py |
TDDFT.set_absorbing_boundary |
1 |
0 |
0 |
100% |
| gpaw/tddft/__init__.py |
TDDFT.absorption_kick |
12 |
0 |
0 |
100% |
| gpaw/tddft/__init__.py |
(no function) |
41 |
0 |
0 |
100% |
| gpaw/tddft/abc.py |
DummyAbsorbingBoundary.__init__ |
2 |
0 |
0 |
100% |
| gpaw/tddft/abc.py |
DummyAbsorbingBoundary.set_up |
1 |
1 |
0 |
0% |
| gpaw/tddft/abc.py |
DummyAbsorbingBoundary.get_potential_matrix |
1 |
0 |
0 |
100% |
| gpaw/tddft/abc.py |
LinearAbsorbingBoundary.__init__ |
5 |
0 |
0 |
100% |
| gpaw/tddft/abc.py |
LinearAbsorbingBoundary.set_up |
18 |
1 |
0 |
94% |
| gpaw/tddft/abc.py |
P4AbsorbingBoundary.__init__ |
6 |
0 |
0 |
100% |
| gpaw/tddft/abc.py |
P4AbsorbingBoundary.set_up |
21 |
2 |
0 |
90% |
| gpaw/tddft/abc.py |
PML.__init__ |
3 |
0 |
0 |
100% |
| gpaw/tddft/abc.py |
PML.set_up |
18 |
4 |
0 |
78% |
| gpaw/tddft/abc.py |
PML.get_G |
1 |
0 |
0 |
100% |
| gpaw/tddft/abc.py |
PML.get_dG |
1 |
0 |
0 |
100% |
| gpaw/tddft/abc.py |
PML.isPML |
1 |
1 |
0 |
0% |
| gpaw/tddft/abc.py |
(no function) |
18 |
0 |
0 |
100% |
| gpaw/tddft/ehrenfest.py |
EhrenfestVelocityVerlet.__init__ |
22 |
2 |
0 |
91% |
| gpaw/tddft/ehrenfest.py |
EhrenfestVelocityVerlet.get_forces |
1 |
0 |
0 |
100% |
| gpaw/tddft/ehrenfest.py |
EhrenfestVelocityVerlet.propagate |
40 |
0 |
0 |
100% |
| gpaw/tddft/ehrenfest.py |
EhrenfestVelocityVerlet.propagate_single |
3 |
1 |
0 |
67% |
| gpaw/tddft/ehrenfest.py |
EhrenfestVelocityVerlet.get_energy |
4 |
0 |
0 |
100% |
| gpaw/tddft/ehrenfest.py |
EhrenfestVelocityVerlet.get_velocities_in_au |
1 |
1 |
0 |
0% |
| gpaw/tddft/ehrenfest.py |
EhrenfestVelocityVerlet.set_velocities_in_au |
2 |
2 |
0 |
0% |
| gpaw/tddft/ehrenfest.py |
(no function) |
11 |
0 |
0 |
100% |
| gpaw/tddft/folding.py |
frequencies |
6 |
0 |
0 |
100% |
| gpaw/tddft/folding.py |
convert_to_au |
5 |
1 |
0 |
80% |
| gpaw/tddft/folding.py |
FoldedFrequencies.__init__ |
5 |
0 |
0 |
100% |
| gpaw/tddft/folding.py |
FoldedFrequencies.todict |
7 |
0 |
0 |
100% |
| gpaw/tddft/folding.py |
FoldedFrequencies.__repr__ |
4 |
4 |
0 |
0% |
| gpaw/tddft/folding.py |
Frequency.__init__ |
3 |
0 |
0 |
100% |
| gpaw/tddft/folding.py |
Folding.__init__ |
14 |
3 |
0 |
79% |
| gpaw/tddft/folding.py |
Folding.envelope |
6 |
2 |
0 |
67% |
| gpaw/tddft/folding.py |
Folding.todict |
4 |
0 |
0 |
100% |
| gpaw/tddft/folding.py |
Folding.__repr__ |
3 |
3 |
0 |
0% |
| gpaw/tddft/folding.py |
(no function) |
16 |
0 |
0 |
100% |
| gpaw/tddft/laser.py |
LaserField.__init__ |
1 |
1 |
0 |
0% |
| gpaw/tddft/laser.py |
LaserField.strength |
1 |
1 |
0 |
0% |
| gpaw/tddft/laser.py |
CWField.__init__ |
3 |
0 |
0 |
100% |
| gpaw/tddft/laser.py |
CWField.strength |
4 |
1 |
0 |
75% |
| gpaw/tddft/laser.py |
(no function) |
7 |
0 |
0 |
100% |
| gpaw/tddft/propagators.py |
create_propagator |
22 |
6 |
0 |
73% |
| gpaw/tddft/propagators.py |
allocate_wavefunction_arrays |
6 |
0 |
0 |
100% |
| gpaw/tddft/propagators.py |
BasePropagator.todict |
1 |
1 |
0 |
0% |
| gpaw/tddft/propagators.py |
BasePropagator.initialize |
9 |
0 |
0 |
100% |
| gpaw/tddft/propagators.py |
BasePropagator.apply_preconditioner |
5 |
1 |
0 |
80% |
| gpaw/tddft/propagators.py |
BasePropagator.update_time_dependent_operators |
3 |
0 |
0 |
100% |
| gpaw/tddft/propagators.py |
BasePropagator.half_update_time_dependent_operators |
4 |
0 |
0 |
100% |
| gpaw/tddft/propagators.py |
BasePropagator.propagate |
1 |
1 |
0 |
0% |
| gpaw/tddft/propagators.py |
ExplicitCrankNicolson.__init__ |
5 |
0 |
0 |
100% |
| gpaw/tddft/propagators.py |
ExplicitCrankNicolson.todict |
1 |
0 |
0 |
100% |
| gpaw/tddft/propagators.py |
ExplicitCrankNicolson.initialize |
5 |
0 |
0 |
100% |
| gpaw/tddft/propagators.py |
ExplicitCrankNicolson.propagate |
7 |
0 |
0 |
100% |
| gpaw/tddft/propagators.py |
ExplicitCrankNicolson.solve_propagation_equation |
18 |
0 |
0 |
100% |
| gpaw/tddft/propagators.py |
ExplicitCrankNicolson.dot |
7 |
0 |
0 |
100% |
| gpaw/tddft/propagators.py |
SemiImplicitCrankNicolson.__init__ |
2 |
0 |
0 |
100% |
| gpaw/tddft/propagators.py |
SemiImplicitCrankNicolson.todict |
1 |
0 |
0 |
100% |
| gpaw/tddft/propagators.py |
SemiImplicitCrankNicolson.initialize |
2 |
0 |
0 |
100% |
| gpaw/tddft/propagators.py |
SemiImplicitCrankNicolson.propagate |
17 |
0 |
0 |
100% |
| gpaw/tddft/propagators.py |
EhrenfestPAWSICN.__init__ |
6 |
0 |
0 |
100% |
| gpaw/tddft/propagators.py |
EhrenfestPAWSICN.todict |
1 |
0 |
0 |
100% |
| gpaw/tddft/propagators.py |
EhrenfestPAWSICN.update_velocities |
3 |
1 |
0 |
67% |
| gpaw/tddft/propagators.py |
EhrenfestPAWSICN.propagate |
19 |
0 |
0 |
100% |
| gpaw/tddft/propagators.py |
EhrenfestPAWSICN.solve_propagation_equation |
27 |
6 |
0 |
78% |
| gpaw/tddft/propagators.py |
EhrenfestPAWSICN.dot |
8 |
0 |
0 |
100% |
| gpaw/tddft/propagators.py |
EhrenfestHGHSICN.__init__ |
1 |
1 |
0 |
0% |
| gpaw/tddft/propagators.py |
EhrenfestHGHSICN.todict |
1 |
1 |
0 |
0% |
| gpaw/tddft/propagators.py |
EhrenfestHGHSICN.propagate |
11 |
11 |
0 |
0% |
| gpaw/tddft/propagators.py |
EhrenfestHGHSICN.solve_propagation_equation |
13 |
13 |
0 |
0% |
| gpaw/tddft/propagators.py |
EnforcedTimeReversalSymmetryCrankNicolson.__init__ |
1 |
0 |
0 |
100% |
| gpaw/tddft/propagators.py |
EnforcedTimeReversalSymmetryCrankNicolson.todict |
1 |
0 |
0 |
100% |
| gpaw/tddft/propagators.py |
EnforcedTimeReversalSymmetryCrankNicolson.propagate |
15 |
1 |
0 |
93% |
| gpaw/tddft/propagators.py |
EnforcedTimeReversalSymmetryCrankNicolson.create_rhs |
10 |
0 |
0 |
100% |
| gpaw/tddft/propagators.py |
EnforcedTimeReversalSymmetryCrankNicolson.solve_propagation_equation |
3 |
0 |
0 |
100% |
| gpaw/tddft/propagators.py |
AbsorptionKick.__init__ |
2 |
0 |
0 |
100% |
| gpaw/tddft/propagators.py |
AbsorptionKick.kick |
2 |
0 |
0 |
100% |
| gpaw/tddft/propagators.py |
SemiImplicitTaylorExponential.__init__ |
1 |
1 |
0 |
0% |
| gpaw/tddft/propagators.py |
SemiImplicitTaylorExponential.todict |
1 |
1 |
0 |
0% |
| gpaw/tddft/propagators.py |
SemiImplicitTaylorExponential.initialize |
5 |
5 |
0 |
0% |
| gpaw/tddft/propagators.py |
SemiImplicitTaylorExponential.propagate |
12 |
12 |
0 |
0% |
| gpaw/tddft/propagators.py |
SemiImplicitTaylorExponential.solve_propagation_equation |
11 |
11 |
0 |
0% |
| gpaw/tddft/propagators.py |
SemiImplicitTaylorExponential.dot |
1 |
1 |
0 |
0% |
| gpaw/tddft/propagators.py |
SemiImplicitKrylovExponential.__init__ |
13 |
0 |
0 |
100% |
| gpaw/tddft/propagators.py |
SemiImplicitKrylovExponential.todict |
1 |
0 |
0 |
100% |
| gpaw/tddft/propagators.py |
SemiImplicitKrylovExponential.initialize |
12 |
0 |
0 |
100% |
| gpaw/tddft/propagators.py |
SemiImplicitKrylovExponential.propagate |
13 |
0 |
0 |
100% |
| gpaw/tddft/propagators.py |
SemiImplicitKrylovExponential.solve_propagation_equation |
28 |
0 |
0 |
100% |
| gpaw/tddft/propagators.py |
SemiImplicitKrylovExponential.create_krylov_subspace |
25 |
0 |
0 |
100% |
| gpaw/tddft/propagators.py |
SemiImplicitKrylovExponential.dot |
1 |
0 |
0 |
100% |
| gpaw/tddft/propagators.py |
SemiImplicitKrylovExponential.Sdot |
2 |
2 |
0 |
0% |
| gpaw/tddft/propagators.py |
SemiImplicitKrylovExponential.Hdot |
2 |
2 |
0 |
0% |
| gpaw/tddft/propagators.py |
SemiImplicitKrylovExponential.inverse_overlap |
14 |
14 |
0 |
0% |
| gpaw/tddft/propagators.py |
SemiImplicitKrylovExponential.overlap |
15 |
15 |
0 |
0% |
| gpaw/tddft/propagators.py |
SemiImplicitKrylovExponential.inverse_hamiltonian |
14 |
14 |
0 |
0% |
| gpaw/tddft/propagators.py |
SemiImplicitKrylovExponential.hamiltonian |
15 |
15 |
0 |
0% |
| gpaw/tddft/propagators.py |
(no function) |
73 |
0 |
0 |
100% |
| gpaw/tddft/solvers/__init__.py |
create_solver |
10 |
2 |
0 |
80% |
| gpaw/tddft/solvers/__init__.py |
(no function) |
5 |
0 |
0 |
100% |
| gpaw/tddft/solvers/base.py |
BaseSolver.__init__ |
6 |
1 |
0 |
83% |
| gpaw/tddft/solvers/base.py |
BaseSolver.todict |
1 |
0 |
0 |
100% |
| gpaw/tddft/solvers/base.py |
BaseSolver.initialize |
2 |
0 |
0 |
100% |
| gpaw/tddft/solvers/base.py |
BaseSolver.solve |
1 |
1 |
0 |
0% |
| gpaw/tddft/solvers/base.py |
(no function) |
7 |
0 |
0 |
100% |
| gpaw/tddft/solvers/bicgstab.py |
BiCGStab.solve |
68 |
7 |
0 |
90% |
| gpaw/tddft/solvers/bicgstab.py |
BiCGStab.solve.multi_zdotc |
4 |
0 |
0 |
100% |
| gpaw/tddft/solvers/bicgstab.py |
BiCGStab.solve.multi_zaxpy |
2 |
0 |
0 |
100% |
| gpaw/tddft/solvers/bicgstab.py |
BiCGStab.solve.multi_scale |
2 |
0 |
0 |
100% |
| gpaw/tddft/solvers/bicgstab.py |
(no function) |
6 |
0 |
0 |
100% |
| gpaw/tddft/solvers/cscg.py |
CSCG.solve |
49 |
4 |
0 |
92% |
| gpaw/tddft/solvers/cscg.py |
CSCG.solve.multi_zdotu |
4 |
0 |
0 |
100% |
| gpaw/tddft/solvers/cscg.py |
CSCG.solve.multi_zaxpy |
2 |
0 |
0 |
100% |
| gpaw/tddft/solvers/cscg.py |
CSCG.solve.multi_scale |
2 |
0 |
0 |
100% |
| gpaw/tddft/solvers/cscg.py |
(no function) |
6 |
0 |
0 |
100% |
| gpaw/tddft/spectrum.py |
calculate_fourier_transform |
14 |
0 |
0 |
100% |
| gpaw/tddft/spectrum.py |
read_td_file_data |
16 |
0 |
0 |
100% |
| gpaw/tddft/spectrum.py |
read_td_file_kicks |
8 |
0 |
0 |
100% |
| gpaw/tddft/spectrum.py |
read_td_file_kicks.parse_kick_line |
12 |
2 |
0 |
83% |
| gpaw/tddft/spectrum.py |
clean_td_data |
12 |
1 |
0 |
92% |
| gpaw/tddft/spectrum.py |
read_dipole_moment_file |
5 |
0 |
0 |
100% |
| gpaw/tddft/spectrum.py |
calculate_polarizability |
6 |
0 |
0 |
100% |
| gpaw/tddft/spectrum.py |
calculate_photoabsorption |
8 |
0 |
0 |
100% |
| gpaw/tddft/spectrum.py |
read_magnetic_moment_file |
3 |
0 |
0 |
100% |
| gpaw/tddft/spectrum.py |
calculate_rotatory_strength_components |
5 |
0 |
0 |
100% |
| gpaw/tddft/spectrum.py |
write_spectrum |
31 |
4 |
0 |
87% |
| gpaw/tddft/spectrum.py |
write_spectrum.str_list |
1 |
0 |
0 |
100% |
| gpaw/tddft/spectrum.py |
write_spectrum.w |
1 |
0 |
0 |
100% |
| gpaw/tddft/spectrum.py |
photoabsorption_spectrum |
6 |
0 |
0 |
100% |
| gpaw/tddft/spectrum.py |
photoabsorption_spectrum.calculate |
1 |
0 |
0 |
100% |
| gpaw/tddft/spectrum.py |
polarizability_spectrum |
6 |
6 |
0 |
0% |
| gpaw/tddft/spectrum.py |
polarizability_spectrum.calculate |
1 |
1 |
0 |
0% |
| gpaw/tddft/spectrum.py |
rotatory_strength_spectrum |
36 |
2 |
0 |
94% |
| gpaw/tddft/spectrum.py |
(no function) |
20 |
0 |
0 |
100% |
| gpaw/tddft/tdopers.py |
TimeDependentHamiltonian.__init__ |
11 |
1 |
0 |
91% |
| gpaw/tddft/tdopers.py |
TimeDependentHamiltonian.update |
2 |
0 |
0 |
100% |
| gpaw/tddft/tdopers.py |
TimeDependentHamiltonian.half_update |
10 |
0 |
0 |
100% |
| gpaw/tddft/tdopers.py |
TimeDependentHamiltonian.half_apply_local_potential |
5 |
1 |
0 |
80% |
| gpaw/tddft/tdopers.py |
TimeDependentHamiltonian.half_apply |
14 |
2 |
0 |
86% |
| gpaw/tddft/tdopers.py |
TimeDependentHamiltonian.apply |
16 |
1 |
0 |
94% |
| gpaw/tddft/tdopers.py |
TimeDependentHamiltonian.set_absorbing_boundary |
7 |
0 |
0 |
100% |
| gpaw/tddft/tdopers.py |
TimeDependentHamiltonian.calculate_paw_correction |
17 |
0 |
0 |
100% |
| gpaw/tddft/tdopers.py |
AbsorptionKickHamiltonian.__init__ |
8 |
0 |
0 |
100% |
| gpaw/tddft/tdopers.py |
AbsorptionKickHamiltonian.update |
1 |
0 |
0 |
100% |
| gpaw/tddft/tdopers.py |
AbsorptionKickHamiltonian.half_update |
1 |
1 |
0 |
0% |
| gpaw/tddft/tdopers.py |
AbsorptionKickHamiltonian.apply |
2 |
0 |
0 |
100% |
| gpaw/tddft/tdopers.py |
TimeDependentOverlap.__init__ |
1 |
0 |
0 |
100% |
| gpaw/tddft/tdopers.py |
TimeDependentOverlap.update_k_point_projections |
3 |
0 |
0 |
100% |
| gpaw/tddft/tdopers.py |
TimeDependentOverlap.update |
2 |
0 |
0 |
100% |
| gpaw/tddft/tdopers.py |
TimeDependentOverlap.half_update |
1 |
0 |
0 |
100% |
| gpaw/tddft/tdopers.py |
TimeDependentOverlap.apply_inverse |
46 |
0 |
0 |
100% |
| gpaw/tddft/tdopers.py |
TimeDependentOverlap.apply_inverse.multi_zdotu |
4 |
0 |
0 |
100% |
| gpaw/tddft/tdopers.py |
TimeDependentOverlap.apply_inverse.multi_zaxpy |
2 |
0 |
0 |
100% |
| gpaw/tddft/tdopers.py |
TimeDependentOverlap.apply_inverse.multi_scale |
2 |
0 |
0 |
100% |
| gpaw/tddft/tdopers.py |
TimeDependentWaveFunctions.__init__ |
3 |
0 |
0 |
100% |
| gpaw/tddft/tdopers.py |
TimeDependentWaveFunctions.make_overlap |
1 |
0 |
0 |
100% |
| gpaw/tddft/tdopers.py |
TimeDependentWaveFunctions.calculate_forces |
44 |
14 |
0 |
68% |
| gpaw/tddft/tdopers.py |
DummyDensity.__init__ |
1 |
0 |
0 |
100% |
| gpaw/tddft/tdopers.py |
DummyDensity.update |
1 |
0 |
0 |
100% |
| gpaw/tddft/tdopers.py |
DummyDensity.get_wavefunctions |
1 |
0 |
0 |
100% |
| gpaw/tddft/tdopers.py |
DummyDensity.get_density |
1 |
0 |
0 |
100% |
| gpaw/tddft/tdopers.py |
TimeDependentDensity.__init__ |
2 |
0 |
0 |
100% |
| gpaw/tddft/tdopers.py |
TimeDependentDensity.update |
1 |
0 |
0 |
100% |
| gpaw/tddft/tdopers.py |
TimeDependentDensity.get_density |
1 |
0 |
0 |
100% |
| gpaw/tddft/tdopers.py |
add_linear_field |
24 |
0 |
0 |
100% |
| gpaw/tddft/tdopers.py |
(no function) |
39 |
0 |
0 |
100% |
| gpaw/tddft/units.py |
(no function) |
28 |
0 |
0 |
100% |
| gpaw/tddft/utils.py |
MultiBlas.__init__ |
1 |
0 |
0 |
100% |
| gpaw/tddft/utils.py |
MultiBlas.multi_zaxpy |
5 |
0 |
0 |
100% |
| gpaw/tddft/utils.py |
MultiBlas.multi_zdotc |
4 |
0 |
0 |
100% |
| gpaw/tddft/utils.py |
MultiBlas.multi_scale |
4 |
1 |
0 |
75% |
| gpaw/tddft/utils.py |
BandPropertyMonitor.__init__ |
4 |
4 |
0 |
0% |
| gpaw/tddft/utils.py |
BandPropertyMonitor.__call__ |
2 |
2 |
0 |
0% |
| gpaw/tddft/utils.py |
BandPropertyMonitor.update |
5 |
5 |
0 |
0% |
| gpaw/tddft/utils.py |
BandPropertyMonitor.write |
1 |
1 |
0 |
0% |
| gpaw/tddft/utils.py |
BandPropertyWriter.__init__ |
2 |
2 |
0 |
0% |
| gpaw/tddft/utils.py |
BandPropertyWriter.write |
2 |
2 |
0 |
0% |
| gpaw/tddft/utils.py |
BandPropertyWriter.__del__ |
1 |
1 |
0 |
0% |
| gpaw/tddft/utils.py |
StaticOverlapMonitor.__init__ |
5 |
5 |
0 |
0% |
| gpaw/tddft/utils.py |
StaticOverlapMonitor.__call__ |
2 |
2 |
0 |
0% |
| gpaw/tddft/utils.py |
StaticOverlapMonitor.update |
16 |
16 |
0 |
0% |
| gpaw/tddft/utils.py |
StaticOverlapMonitor.write |
1 |
1 |
0 |
0% |
| gpaw/tddft/utils.py |
StaticOverlapWriter.__init__ |
2 |
2 |
0 |
0% |
| gpaw/tddft/utils.py |
StaticOverlapWriter.write |
2 |
2 |
0 |
0% |
| gpaw/tddft/utils.py |
StaticOverlapWriter.__del__ |
1 |
1 |
0 |
0% |
| gpaw/tddft/utils.py |
DynamicOverlapMonitor.__init__ |
5 |
5 |
0 |
0% |
| gpaw/tddft/utils.py |
DynamicOverlapMonitor.__call__ |
2 |
2 |
0 |
0% |
| gpaw/tddft/utils.py |
DynamicOverlapMonitor.update |
11 |
11 |
0 |
0% |
| gpaw/tddft/utils.py |
DynamicOverlapMonitor.update.S |
1 |
1 |
0 |
0% |
| gpaw/tddft/utils.py |
DynamicOverlapMonitor.write |
1 |
1 |
0 |
0% |
| gpaw/tddft/utils.py |
DynamicOverlapWriter.__init__ |
2 |
2 |
0 |
0% |
| gpaw/tddft/utils.py |
DynamicOverlapWriter.write |
2 |
2 |
0 |
0% |
| gpaw/tddft/utils.py |
DynamicOverlapWriter.__del__ |
1 |
1 |
0 |
0% |
| gpaw/tddft/utils.py |
(no function) |
34 |
0 |
0 |
100% |
| gpaw/test/__init__.py |
print_reference |
9 |
9 |
0 |
0% |
| gpaw/test/__init__.py |
findpeak |
6 |
0 |
0 |
100% |
| gpaw/test/__init__.py |
gen |
10 |
0 |
0 |
100% |
| gpaw/test/__init__.py |
only_on_master |
3 |
0 |
0 |
100% |
| gpaw/test/__init__.py |
only_on_master.wrap |
2 |
0 |
0 |
100% |
| gpaw/test/__init__.py |
only_on_master.wrap.wrapped_func |
7 |
1 |
0 |
86% |
| gpaw/test/__init__.py |
calculate_numerical_forces |
11 |
8 |
0 |
27% |
| gpaw/test/__init__.py |
(no function) |
12 |
0 |
0 |
100% |
| gpaw/test/ase_features/autoneb.py |
test_autoneb |
25 |
25 |
0 |
0% |
| gpaw/test/ase_features/autoneb.py |
test_autoneb.getcalc |
3 |
3 |
0 |
0% |
| gpaw/test/ase_features/autoneb.py |
test_autoneb.attach_calculators |
9 |
9 |
0 |
0% |
| gpaw/test/ase_features/autoneb.py |
(no function) |
9 |
0 |
0 |
100% |
| gpaw/test/ase_features/test_ase3k.py |
test_no_cell |
3 |
0 |
0 |
100% |
| gpaw/test/ase_features/test_ase3k.py |
test_read_txt |
8 |
1 |
0 |
88% |
| gpaw/test/ase_features/test_ase3k.py |
(no function) |
9 |
0 |
0 |
100% |
| gpaw/test/ase_features/test_ase3k_version.py |
test_ase_features_ase3k_version |
1 |
0 |
0 |
100% |
| gpaw/test/ase_features/test_ase3k_version.py |
(no function) |
4 |
0 |
0 |
100% |
| gpaw/test/big/dcdft/analyse.py |
(no function) |
105 |
105 |
0 |
0% |
| gpaw/test/big/dcdft/pbe_abinit_fhi.py |
(no function) |
49 |
49 |
0 |
0% |
| gpaw/test/big/dcdft/pbe_abinit_hgh.py |
(no function) |
57 |
57 |
0 |
0% |
| gpaw/test/big/dcdft/pbe_abinit_paw.py |
(no function) |
58 |
58 |
0 |
0% |
| gpaw/test/big/dcdft/pbe_aims.py |
(no function) |
76 |
76 |
0 |
0% |
| gpaw/test/big/dcdft/pbe_gpaw_pw.py |
(no function) |
75 |
75 |
0 |
0% |
| gpaw/test/big/dcdft/pbe_gpaw_pw_verify.py |
(no function) |
28 |
28 |
0 |
0% |
| gpaw/test/big/hsk/hsk.py |
(no function) |
1 |
1 |
0 |
0% |
| gpaw/test/big/test_systems/agts.py |
workflow |
6 |
6 |
0 |
0% |
| gpaw/test/big/test_systems/agts.py |
calculate |
2 |
2 |
0 |
0% |
| gpaw/test/big/test_systems/agts.py |
relax |
3 |
3 |
0 |
0% |
| gpaw/test/big/test_systems/agts.py |
(no function) |
8 |
8 |
0 |
0% |
| gpaw/test/big/test_systems/create.py |
system |
2 |
2 |
0 |
0% |
| gpaw/test/big/test_systems/create.py |
create_test_systems |
7 |
7 |
0 |
0% |
| gpaw/test/big/test_systems/create.py |
a5 |
3 |
3 |
0 |
0% |
| gpaw/test/big/test_systems/create.py |
ni100 |
4 |
4 |
0 |
0% |
| gpaw/test/big/test_systems/create.py |
biimtf |
4 |
4 |
0 |
0% |
| gpaw/test/big/test_systems/create.py |
opt111b |
3 |
3 |
0 |
0% |
| gpaw/test/big/test_systems/create.py |
scsz |
10 |
10 |
0 |
0% |
| gpaw/test/big/test_systems/create.py |
tio2v2o5 |
2 |
2 |
0 |
0% |
| gpaw/test/big/test_systems/create.py |
pt_h2o |
5 |
5 |
0 |
0% |
| gpaw/test/big/test_systems/create.py |
lih |
4 |
4 |
0 |
0% |
| gpaw/test/big/test_systems/create.py |
gs_small |
38 |
38 |
0 |
0% |
| gpaw/test/big/test_systems/create.py |
na2 |
4 |
4 |
0 |
0% |
| gpaw/test/big/test_systems/create.py |
opt111 |
3 |
3 |
0 |
0% |
| gpaw/test/big/test_systems/create.py |
pt13 |
9 |
9 |
0 |
0% |
| gpaw/test/big/test_systems/create.py |
cuni |
4 |
4 |
0 |
0% |
| gpaw/test/big/test_systems/create.py |
gqd_triangle_o |
3 |
3 |
0 |
0% |
| gpaw/test/big/test_systems/create.py |
cofe2o4 |
2 |
2 |
0 |
0% |
| gpaw/test/big/test_systems/create.py |
isa |
1 |
1 |
0 |
0% |
| gpaw/test/big/test_systems/create.py |
te2fe2 |
2 |
2 |
0 |
0% |
| gpaw/test/big/test_systems/create.py |
na2o4 |
2 |
2 |
0 |
0% |
| gpaw/test/big/test_systems/create.py |
c2 |
3 |
3 |
0 |
0% |
| gpaw/test/big/test_systems/create.py |
water |
6 |
6 |
0 |
0% |
| gpaw/test/big/test_systems/create.py |
(no function) |
60 |
60 |
0 |
0% |
| gpaw/test/cachedfilehandler.py |
CachedFilesHandler.__init__ |
5 |
0 |
0 |
100% |
| gpaw/test/cachedfilehandler.py |
CachedFilesHandler.__getitem__ |
22 |
4 |
0 |
82% |
| gpaw/test/cachedfilehandler.py |
CachedFilesHandler._calculate_and_write |
1 |
1 |
0 |
0% |
| gpaw/test/cachedfilehandler.py |
world_temporary_lock |
12 |
7 |
0 |
42% |
| gpaw/test/cachedfilehandler.py |
temporary_lock |
8 |
2 |
0 |
75% |
| gpaw/test/cachedfilehandler.py |
(no function) |
15 |
0 |
0 |
100% |
| gpaw/test/cdft/test_cdft.py |
test_cdft |
16 |
0 |
0 |
100% |
| gpaw/test/cdft/test_cdft.py |
(no function) |
9 |
0 |
0 |
100% |
| gpaw/test/cdft/test_cdft_fd_forces.py |
test_cdft_fd_forces |
14 |
0 |
0 |
100% |
| gpaw/test/cdft/test_cdft_fd_forces.py |
(no function) |
7 |
0 |
0 |
100% |
| gpaw/test/cdft/test_cdft_restart_two_regions.py |
test_cdft_restart |
15 |
0 |
0 |
100% |
| gpaw/test/cdft/test_cdft_restart_two_regions.py |
(no function) |
10 |
0 |
0 |
100% |
| gpaw/test/cdft/test_pbc_in_cdft_coupling.py |
test_pbc_cdft |
18 |
0 |
0 |
100% |
| gpaw/test/cdft/test_pbc_in_cdft_coupling.py |
(no function) |
10 |
0 |
0 |
100% |
| gpaw/test/cli/test_basis.py |
test_gpaw_basis_subcommand |
13 |
0 |
0 |
100% |
| gpaw/test/cli/test_basis.py |
test_old_gpaw_basis_tool |
5 |
0 |
0 |
100% |
| gpaw/test/cli/test_basis.py |
(no function) |
13 |
0 |
0 |
100% |
| gpaw/test/cli/test_dipole.py |
test_dipole |
5 |
0 |
0 |
100% |
| gpaw/test/cli/test_dipole.py |
(no function) |
5 |
0 |
0 |
100% |
| gpaw/test/cli/test_dos.py |
test_dos |
2 |
0 |
0 |
100% |
| gpaw/test/cli/test_dos.py |
(no function) |
5 |
0 |
0 |
100% |
| gpaw/test/cli/test_plot_dataset.py |
old_setup |
4 |
0 |
0 |
100% |
| gpaw/test/cli/test_plot_dataset.py |
new_setup |
4 |
0 |
0 |
100% |
| gpaw/test/cli/test_plot_dataset.py |
test_gpaw_plot_dataset |
29 |
0 |
0 |
100% |
| gpaw/test/cli/test_plot_dataset.py |
test_gpaw_dataset_plot |
14 |
0 |
0 |
100% |
| gpaw/test/cli/test_plot_dataset.py |
(no function) |
27 |
0 |
0 |
100% |
| gpaw/test/cli/test_symmetry.py |
test_symmetry |
5 |
0 |
0 |
100% |
| gpaw/test/cli/test_symmetry.py |
(no function) |
5 |
0 |
0 |
100% |
| gpaw/test/conftest.py |
execute_in_tmp_path |
10 |
1 |
0 |
90% |
| gpaw/test/conftest.py |
dftd3 |
5 |
0 |
0 |
100% |
| gpaw/test/conftest.py |
in_tmp_dir |
2 |
0 |
0 |
100% |
| gpaw/test/conftest.py |
module_tmp_path |
2 |
0 |
0 |
100% |
| gpaw/test/conftest.py |
add_cwd_to_setup_paths |
4 |
0 |
0 |
100% |
| gpaw/test/conftest.py |
sessionscoped_monkeypatch |
2 |
0 |
0 |
100% |
| gpaw/test/conftest.py |
monkeypatch_response_spline_points |
2 |
0 |
0 |
100% |
| gpaw/test/conftest.py |
monkeypatch_allow_cpupy |
6 |
0 |
0 |
100% |
| gpaw/test/conftest.py |
monkeypatch_allow_cpupy.gpu |
1 |
0 |
0 |
100% |
| gpaw/test/conftest.py |
gpw_files |
7 |
0 |
0 |
100% |
| gpaw/test/conftest.py |
all_gpw_files |
6 |
2 |
0 |
67% |
| gpaw/test/conftest.py |
mme_files |
3 |
0 |
0 |
100% |
| gpaw/test/conftest.py |
GPAWPlugin.__init__ |
3 |
2 |
0 |
33% |
| gpaw/test/conftest.py |
GPAWPlugin.pytest_terminal_summary |
3 |
3 |
0 |
0% |
| gpaw/test/conftest.py |
sg15_hydrogen |
4 |
0 |
0 |
100% |
| gpaw/test/conftest.py |
pytest_configure |
7 |
5 |
0 |
29% |
| gpaw/test/conftest.py |
pytest_runtest_setup |
16 |
7 |
0 |
56% |
| gpaw/test/conftest.py |
scalapack |
3 |
1 |
0 |
67% |
| gpaw/test/conftest.py |
needs_ase_master |
5 |
2 |
0 |
60% |
| gpaw/test/conftest.py |
pytest_report_header |
3 |
0 |
0 |
100% |
| gpaw/test/conftest.py |
rng |
1 |
0 |
0 |
100% |
| gpaw/test/conftest.py |
gpaw_new |
1 |
0 |
0 |
100% |
| gpaw/test/conftest.py |
(no function) |
50 |
0 |
0 |
100% |
| gpaw/test/core/test_abs_square.py |
abs_square |
12 |
0 |
0 |
100% |
| gpaw/test/core/test_abs_square.py |
test_pw_abs_square |
1 |
0 |
0 |
100% |
| gpaw/test/core/test_abs_square.py |
main |
5 |
5 |
0 |
0% |
| gpaw/test/core/test_abs_square.py |
(no function) |
12 |
1 |
0 |
92% |
| gpaw/test/core/test_acf.py |
grid |
1 |
0 |
0 |
100% |
| gpaw/test/core/test_acf.py |
test_acf_fd |
13 |
0 |
0 |
100% |
| gpaw/test/core/test_acf.py |
test_acf_pw |
18 |
2 |
0 |
89% |
| gpaw/test/core/test_acf.py |
(no function) |
20 |
0 |
0 |
100% |
| gpaw/test/core/test_atom_arrays.py |
test_aa_to_full |
6 |
0 |
0 |
100% |
| gpaw/test/core/test_atom_arrays.py |
test_scatter_from |
16 |
0 |
0 |
100% |
| gpaw/test/core/test_atom_arrays.py |
test_gather |
11 |
0 |
0 |
100% |
| gpaw/test/core/test_atom_arrays.py |
test_P_ani_dH_aii |
9 |
0 |
0 |
100% |
| gpaw/test/core/test_atom_arrays.py |
(no function) |
13 |
0 |
0 |
100% |
| gpaw/test/core/test_grid.py |
test_real_to_complex_fft |
11 |
0 |
0 |
100% |
| gpaw/test/core/test_grid.py |
test_redist |
13 |
0 |
0 |
100% |
| gpaw/test/core/test_grid.py |
test_complex_laplace |
11 |
0 |
0 |
100% |
| gpaw/test/core/test_grid.py |
py |
13 |
0 |
0 |
100% |
| gpaw/test/core/test_grid.py |
test_moment |
10 |
0 |
0 |
100% |
| gpaw/test/core/test_grid.py |
test_isosurface |
3 |
0 |
0 |
100% |
| gpaw/test/core/test_grid.py |
(no function) |
15 |
1 |
0 |
93% |
| gpaw/test/core/test_interpolate.py |
test_fft_interpolation |
7 |
0 |
0 |
100% |
| gpaw/test/core/test_interpolate.py |
(no function) |
4 |
0 |
0 |
100% |
| gpaw/test/core/test_matrix_elements.py |
comms |
6 |
0 |
0 |
100% |
| gpaw/test/core/test_matrix_elements.py |
func |
3 |
0 |
0 |
100% |
| gpaw/test/core/test_matrix_elements.py |
test_me |
32 |
0 |
0 |
100% |
| gpaw/test/core/test_matrix_elements.py |
(no function) |
14 |
2 |
0 |
86% |
| gpaw/test/core/test_pw.py |
test_pw_redist |
8 |
0 |
0 |
100% |
| gpaw/test/core/test_pw.py |
test_pw_map |
8 |
0 |
0 |
100% |
| gpaw/test/core/test_pw.py |
grids |
21 |
0 |
0 |
100% |
| gpaw/test/core/test_pw.py |
test_pw_integrate |
26 |
0 |
0 |
100% |
| gpaw/test/core/test_pw.py |
test_grr |
10 |
0 |
0 |
100% |
| gpaw/test/core/test_pw.py |
test_find_g |
6 |
0 |
0 |
100% |
| gpaw/test/core/test_pw.py |
test_random |
4 |
0 |
0 |
100% |
| gpaw/test/core/test_pw.py |
test_morph |
7 |
0 |
0 |
100% |
| gpaw/test/core/test_pw.py |
(no function) |
22 |
0 |
0 |
100% |
| gpaw/test/corehole/test_S2p.py |
test_S2p |
11 |
0 |
0 |
100% |
| gpaw/test/corehole/test_S2p.py |
(no function) |
7 |
0 |
0 |
100% |
| gpaw/test/corehole/test_h2o.py |
test_corehole_h2o |
19 |
1 |
0 |
95% |
| gpaw/test/corehole/test_h2o.py |
(no function) |
7 |
0 |
0 |
100% |
| gpaw/test/corehole/test_h2o_dks.py |
test_corehole_h2o_dks |
26 |
0 |
0 |
100% |
| gpaw/test/corehole/test_h2o_dks.py |
test_corehole_h2o_dks.xc |
1 |
0 |
0 |
100% |
| gpaw/test/corehole/test_h2o_dks.py |
(no function) |
6 |
0 |
0 |
100% |
| gpaw/test/corehole/test_h2o_recursion.py |
test_corehole_h2o_recursion |
18 |
0 |
0 |
100% |
| gpaw/test/corehole/test_h2o_recursion.py |
(no function) |
7 |
0 |
0 |
100% |
| gpaw/test/corehole/test_li2.py |
test_aed_with_corehole_li |
18 |
0 |
0 |
100% |
| gpaw/test/corehole/test_li2.py |
(no function) |
8 |
0 |
0 |
100% |
| gpaw/test/corehole/test_sh2.py |
folding_is_normalized |
7 |
0 |
0 |
100% |
| gpaw/test/corehole/test_sh2.py |
s1s1ch_name |
3 |
0 |
0 |
100% |
| gpaw/test/corehole/test_sh2.py |
s2p1ch_name |
3 |
0 |
0 |
100% |
| gpaw/test/corehole/test_sh2.py |
sh2 |
6 |
0 |
0 |
100% |
| gpaw/test/corehole/test_sh2.py |
sh2_s1s1ch |
1 |
0 |
0 |
100% |
| gpaw/test/corehole/test_sh2.py |
sh2_s2p1ch |
1 |
0 |
0 |
100% |
| gpaw/test/corehole/test_sh2.py |
test_sulphur_2p_spin_io |
5 |
0 |
0 |
100% |
| gpaw/test/corehole/test_sh2.py |
test_sulphur_1s_xas_tp |
9 |
0 |
0 |
100% |
| gpaw/test/corehole/test_sh2.py |
test_sulphur_1s_xas_XCH |
14 |
0 |
0 |
100% |
| gpaw/test/corehole/test_sh2.py |
test_sulphur_2p_xas |
3 |
0 |
0 |
100% |
| gpaw/test/corehole/test_sh2.py |
test_proj |
19 |
0 |
0 |
100% |
| gpaw/test/corehole/test_sh2.py |
test_parallel |
30 |
0 |
0 |
100% |
| gpaw/test/corehole/test_sh2.py |
test_io |
9 |
0 |
0 |
100% |
| gpaw/test/corehole/test_sh2.py |
(no function) |
23 |
0 |
0 |
100% |
| gpaw/test/corehole/test_si.py |
test_corehole_si |
22 |
1 |
0 |
95% |
| gpaw/test/corehole/test_si.py |
test_corehole_si.stopcalc |
1 |
0 |
0 |
100% |
| gpaw/test/corehole/test_si.py |
test_si_nonortho |
10 |
0 |
0 |
100% |
| gpaw/test/corehole/test_si.py |
(no function) |
9 |
0 |
0 |
100% |
| gpaw/test/corehole/test_xas_parallel.py |
xas_sym_nosp |
5 |
5 |
0 |
0% |
| gpaw/test/corehole/test_xas_parallel.py |
test_xas_paralell_kpts_and_domian |
7 |
7 |
0 |
0% |
| gpaw/test/corehole/test_xas_parallel.py |
test_xas_paralell_multiple_kpt_pr_rank |
10 |
10 |
0 |
0% |
| gpaw/test/corehole/test_xas_parallel.py |
test_xas_band_and_kpts_parallel |
7 |
7 |
0 |
0% |
| gpaw/test/corehole/test_xas_parallel.py |
test_xas_kpts_domian_parallel_spinpol |
12 |
12 |
0 |
0% |
| gpaw/test/corehole/test_xas_parallel.py |
test_xes_kpts_and_domain_parallel |
10 |
10 |
0 |
0% |
| gpaw/test/corehole/test_xas_parallel.py |
test_all_band_and_kpts_parallel |
10 |
10 |
0 |
0% |
| gpaw/test/corehole/test_xas_parallel.py |
(no function) |
20 |
0 |
0 |
100% |
| gpaw/test/crontab.py |
run_tests |
19 |
19 |
0 |
0% |
| gpaw/test/crontab.py |
(no function) |
9 |
1 |
0 |
89% |
| gpaw/test/densities/test_ae.py |
test_ae_density |
17 |
0 |
0 |
100% |
| gpaw/test/densities/test_ae.py |
(no function) |
5 |
0 |
0 |
100% |
| gpaw/test/directopt/test_break_instability_lcao.py |
test_break_instability_lcao |
14 |
0 |
0 |
100% |
| gpaw/test/directopt/test_break_instability_lcao.py |
(no function) |
6 |
0 |
0 |
100% |
| gpaw/test/directopt/test_constraints_directopt_lcao.py |
test_constraints_directopt_lcao |
12 |
0 |
0 |
100% |
| gpaw/test/directopt/test_constraints_directopt_lcao.py |
(no function) |
6 |
0 |
0 |
100% |
| gpaw/test/directopt/test_constraints_directopt_lcao_sic.py |
test_constraints_directopt_lcao_sic |
26 |
1 |
0 |
96% |
| gpaw/test/directopt/test_constraints_directopt_lcao_sic.py |
(no function) |
7 |
0 |
0 |
100% |
| gpaw/test/directopt/test_directmin_lcao.py |
test_directmin_lcao |
38 |
0 |
0 |
100% |
| gpaw/test/directopt/test_directmin_lcao.py |
test_directmin_lcao.check_niter |
1 |
0 |
0 |
100% |
| gpaw/test/directopt/test_directmin_lcao.py |
(no function) |
9 |
0 |
0 |
100% |
| gpaw/test/directopt/test_directmin_pwfd.py |
test_directmin_pw |
28 |
1 |
0 |
96% |
| gpaw/test/directopt/test_directmin_pwfd.py |
(no function) |
10 |
1 |
0 |
90% |
| gpaw/test/directopt/test_generalized_davidson_lcao.py |
test_generalized_davidson_lcao |
19 |
0 |
0 |
100% |
| gpaw/test/directopt/test_generalized_davidson_lcao.py |
(no function) |
6 |
0 |
0 |
100% |
| gpaw/test/directopt/test_gmf_directopt_lcao.py |
test_gmf_directopt_lcao |
7 |
0 |
0 |
100% |
| gpaw/test/directopt/test_gmf_directopt_lcao.py |
(no function) |
6 |
0 |
0 |
100% |
| gpaw/test/directopt/test_grad_numerically_lcao.py |
test_gradient_numerically_lcao |
22 |
0 |
0 |
100% |
| gpaw/test/directopt/test_grad_numerically_lcao.py |
(no function) |
6 |
0 |
0 |
100% |
| gpaw/test/directopt/test_grad_numerically_pw.py |
test_gradient_numerically_pw |
25 |
0 |
0 |
100% |
| gpaw/test/directopt/test_grad_numerically_pw.py |
(no function) |
8 |
0 |
0 |
100% |
| gpaw/test/directopt/test_hess_numerically_lcao.py |
test_hess_numerically_lcao |
23 |
0 |
0 |
100% |
| gpaw/test/directopt/test_hess_numerically_lcao.py |
(no function) |
6 |
0 |
0 |
100% |
| gpaw/test/directopt/test_hess_numerically_pw.py |
test_hess_numerically_pw |
13 |
0 |
0 |
100% |
| gpaw/test/directopt/test_hess_numerically_pw.py |
(no function) |
7 |
0 |
0 |
100% |
| gpaw/test/directopt/test_mom_directopt_fd_hybrids.py |
test_mom_directopt_fd_hybrids |
30 |
8 |
0 |
73% |
| gpaw/test/directopt/test_mom_directopt_fd_hybrids.py |
(no function) |
11 |
0 |
0 |
100% |
| gpaw/test/directopt/test_mom_directopt_lcao.py |
test_mom_directopt_lcao |
12 |
0 |
0 |
100% |
| gpaw/test/directopt/test_mom_directopt_lcao.py |
test_mom_directopt_lcao.rotate_homo_lumo |
12 |
0 |
0 |
100% |
| gpaw/test/directopt/test_mom_directopt_lcao.py |
(no function) |
10 |
0 |
0 |
100% |
| gpaw/test/directopt/test_mom_directopt_lcao_forces.py |
test_mom_directopt_lcao_forces |
40 |
0 |
0 |
100% |
| gpaw/test/directopt/test_mom_directopt_lcao_forces.py |
(no function) |
9 |
0 |
0 |
100% |
| gpaw/test/directopt/test_mom_directopt_lcao_spinpaired.py |
test_mom_directopt_lcao_spinpaired |
11 |
0 |
0 |
100% |
| gpaw/test/directopt/test_mom_directopt_lcao_spinpaired.py |
(no function) |
8 |
0 |
0 |
100% |
| gpaw/test/directopt/test_mom_directopt_pw.py |
test_mom_directopt_pw |
49 |
9 |
0 |
82% |
| gpaw/test/directopt/test_mom_directopt_pw.py |
test_mom_directopt_pw.rotate_homo_lumo |
10 |
1 |
0 |
90% |
| gpaw/test/directopt/test_mom_directopt_pw.py |
(no function) |
9 |
1 |
0 |
89% |
| gpaw/test/directopt/test_mom_directopt_pw_hybrids.py |
test_mom_directopt_pw_hybrids |
38 |
10 |
0 |
74% |
| gpaw/test/directopt/test_mom_directopt_pw_hybrids.py |
(no function) |
6 |
0 |
0 |
100% |
| gpaw/test/directopt/test_orthonormalizations_lcao.py |
test_orthonormalizations_lcao |
10 |
0 |
0 |
100% |
| gpaw/test/directopt/test_orthonormalizations_lcao.py |
(no function) |
5 |
0 |
0 |
100% |
| gpaw/test/directopt/test_steepestdescent_lcao.py |
test_steepestdescent_lcao |
8 |
0 |
0 |
100% |
| gpaw/test/directopt/test_steepestdescent_lcao.py |
(no function) |
4 |
0 |
0 |
100% |
| gpaw/test/dos/test_pdos.py |
test_li_pdos_pxyz |
5 |
0 |
0 |
100% |
| gpaw/test/dos/test_pdos.py |
test_pdos_soc |
4 |
0 |
0 |
100% |
| gpaw/test/dos/test_pdos.py |
(no function) |
4 |
0 |
0 |
100% |
| gpaw/test/dscf/test_dscf_lcao.py |
test_dscf_dscf_lcao |
13 |
0 |
0 |
100% |
| gpaw/test/dscf/test_dscf_lcao.py |
(no function) |
6 |
0 |
0 |
100% |
| gpaw/test/eigen/test_blocked_rmm_diis.py |
test_eigen_blocked_rmm_diis |
17 |
0 |
0 |
100% |
| gpaw/test/eigen/test_blocked_rmm_diis.py |
(no function) |
4 |
0 |
0 |
100% |
| gpaw/test/eigen/test_cg.py |
test_eigen_cg |
16 |
0 |
0 |
100% |
| gpaw/test/eigen/test_cg.py |
(no function) |
5 |
0 |
0 |
100% |
| gpaw/test/eigen/test_cg2.py |
test_eigen_cg2 |
14 |
0 |
0 |
100% |
| gpaw/test/eigen/test_cg2.py |
test_eigen_cg2.A |
1 |
0 |
0 |
100% |
| gpaw/test/eigen/test_cg2.py |
test_eigen_cg2.A |
1 |
0 |
0 |
100% |
| gpaw/test/eigen/test_cg2.py |
(no function) |
3 |
0 |
0 |
100% |
| gpaw/test/eigen/test_davidson.py |
test_eigen_davidson |
22 |
4 |
0 |
82% |
| gpaw/test/eigen/test_davidson.py |
(no function) |
6 |
0 |
0 |
100% |
| gpaw/test/eigen/test_keep_htpsit.py |
test_eigen_keep_htpsit |
11 |
0 |
0 |
100% |
| gpaw/test/eigen/test_keep_htpsit.py |
(no function) |
5 |
0 |
0 |
100% |
| gpaw/test/elph/conftest.py |
get_calc |
1 |
0 |
0 |
100% |
| gpaw/test/elph/conftest.py |
elph_cache |
6 |
0 |
0 |
100% |
| gpaw/test/elph/conftest.py |
supercell_cache |
9 |
0 |
0 |
100% |
| gpaw/test/elph/conftest.py |
(no function) |
11 |
0 |
0 |
100% |
| gpaw/test/elph/test_displacements.py |
test_displacements |
25 |
0 |
0 |
100% |
| gpaw/test/elph/test_displacements.py |
(no function) |
9 |
0 |
0 |
100% |
| gpaw/test/elph/test_gmatrix.py |
test_gmatrix |
26 |
0 |
0 |
100% |
| gpaw/test/elph/test_gmatrix.py |
(no function) |
8 |
0 |
0 |
100% |
| gpaw/test/elph/test_gpts_helper.py |
test_gpts |
3 |
0 |
0 |
100% |
| gpaw/test/elph/test_gpts_helper.py |
(no function) |
2 |
0 |
0 |
100% |
| gpaw/test/elph/test_gradient.py |
test_gradient |
26 |
1 |
0 |
96% |
| gpaw/test/elph/test_gradient.py |
(no function) |
9 |
0 |
0 |
100% |
| gpaw/test/elph/test_indices.py |
FakeElectronPhononMatrix._set_supercell_cache |
1 |
0 |
0 |
100% |
| gpaw/test/elph/test_indices.py |
FakeElectronPhononMatrix._read_phonon_cache |
1 |
0 |
0 |
100% |
| gpaw/test/elph/test_indices.py |
_supercell_all |
5 |
0 |
0 |
100% |
| gpaw/test/elph/test_indices.py |
_gmatrix_all |
5 |
0 |
0 |
100% |
| gpaw/test/elph/test_indices.py |
_supercell_indices |
7 |
0 |
0 |
100% |
| gpaw/test/elph/test_indices.py |
_gmatrix_indices |
7 |
0 |
0 |
100% |
| gpaw/test/elph/test_indices.py |
test_indices |
10 |
0 |
0 |
100% |
| gpaw/test/elph/test_indices.py |
(no function) |
13 |
0 |
0 |
100% |
| gpaw/test/elph/test_ramancalculator.py |
get_random_g |
8 |
0 |
0 |
100% |
| gpaw/test/elph/test_ramancalculator.py |
test_ramancalculator |
39 |
0 |
0 |
100% |
| gpaw/test/elph/test_ramancalculator.py |
(no function) |
11 |
0 |
0 |
100% |
| gpaw/test/elph/test_resonant_term.py |
make_hermitian |
4 |
0 |
0 |
100% |
| gpaw/test/elph/test_resonant_term.py |
test_resonant_term |
28 |
0 |
0 |
100% |
| gpaw/test/elph/test_resonant_term.py |
(no function) |
6 |
0 |
0 |
100% |
| gpaw/test/elph/test_supercell.py |
test_supercell |
5 |
0 |
0 |
100% |
| gpaw/test/elph/test_supercell.py |
(no function) |
10 |
0 |
0 |
100% |
| gpaw/test/ext_potential/stark_shift.py |
test_stark_shift |
68 |
68 |
0 |
0% |
| gpaw/test/ext_potential/stark_shift.py |
test_stark_shift.dipole_op |
30 |
30 |
0 |
0% |
| gpaw/test/ext_potential/stark_shift.py |
(no function) |
12 |
0 |
0 |
100% |
| gpaw/test/ext_potential/test_b_field.py |
test_b_field |
23 |
1 |
0 |
96% |
| gpaw/test/ext_potential/test_b_field.py |
(no function) |
7 |
0 |
0 |
100% |
| gpaw/test/ext_potential/test_collection.py |
test_collection |
16 |
0 |
0 |
100% |
| gpaw/test/ext_potential/test_collection.py |
(no function) |
3 |
0 |
0 |
100% |
| gpaw/test/ext_potential/test_constant_e_field.py |
test_ext_potential_constant_e_field |
14 |
0 |
0 |
100% |
| gpaw/test/ext_potential/test_constant_e_field.py |
test_polarizability |
10 |
0 |
0 |
100% |
| gpaw/test/ext_potential/test_constant_e_field.py |
(no function) |
11 |
0 |
0 |
100% |
| gpaw/test/ext_potential/test_external.py |
test_ext_potential_external |
37 |
3 |
0 |
92% |
| gpaw/test/ext_potential/test_external.py |
(no function) |
6 |
0 |
0 |
100% |
| gpaw/test/ext_potential/test_external_pw.py |
test_stark_pw |
19 |
0 |
0 |
100% |
| gpaw/test/ext_potential/test_external_pw.py |
test_ext_potential_external_pw |
38 |
3 |
0 |
92% |
| gpaw/test/ext_potential/test_external_pw.py |
(no function) |
9 |
0 |
0 |
100% |
| gpaw/test/ext_potential/test_harmonic.py |
HarmonicPotential.calculate_potential |
3 |
0 |
0 |
100% |
| gpaw/test/ext_potential/test_harmonic.py |
HarmonicPotential.todict |
1 |
0 |
0 |
100% |
| gpaw/test/ext_potential/test_harmonic.py |
test_ext_potential_harmonic |
11 |
0 |
0 |
100% |
| gpaw/test/ext_potential/test_harmonic.py |
PöschlTellerPotential.calculate_potential |
4 |
0 |
0 |
100% |
| gpaw/test/ext_potential/test_harmonic.py |
PöschlTellerPotential.todict |
1 |
0 |
0 |
100% |
| gpaw/test/ext_potential/test_harmonic.py |
test_pt_potential |
16 |
0 |
0 |
100% |
| gpaw/test/ext_potential/test_harmonic.py |
(no function) |
17 |
0 |
0 |
100% |
| gpaw/test/ext_potential/test_point_charge.py |
test_ext_potential_point_charge |
63 |
0 |
0 |
100% |
| gpaw/test/ext_potential/test_point_charge.py |
test_ext_potential_point_charge.f |
3 |
0 |
0 |
100% |
| gpaw/test/ext_potential/test_point_charge.py |
(no function) |
9 |
0 |
0 |
100% |
| gpaw/test/ext_potential/test_step.py |
test_He |
15 |
0 |
0 |
100% |
| gpaw/test/ext_potential/test_step.py |
(no function) |
6 |
0 |
0 |
100% |
| gpaw/test/exx/test_coarse.py |
test_exx_coarse |
31 |
0 |
0 |
100% |
| gpaw/test/exx/test_coarse.py |
(no function) |
10 |
0 |
0 |
100% |
| gpaw/test/exx/test_derivs.py |
test_exx_derivs |
39 |
14 |
0 |
64% |
| gpaw/test/exx/test_derivs.py |
(no function) |
26 |
0 |
0 |
100% |
| gpaw/test/exx/test_double_cell.py |
test_exx_double_cell |
19 |
0 |
0 |
100% |
| gpaw/test/exx/test_double_cell.py |
(no function) |
14 |
7 |
0 |
50% |
| gpaw/test/exx/test_exx.py |
xc1 |
1 |
0 |
0 |
100% |
| gpaw/test/exx/test_exx.py |
test_exx_exx |
21 |
0 |
0 |
100% |
| gpaw/test/exx/test_exx.py |
(no function) |
10 |
0 |
0 |
100% |
| gpaw/test/exx/test_exx_scf.py |
test_exx_exx_scf |
14 |
14 |
0 |
0% |
| gpaw/test/exx/test_exx_scf.py |
(no function) |
13 |
0 |
0 |
100% |
| gpaw/test/exx/test_forces_ut.py |
test_force |
22 |
0 |
0 |
100% |
| gpaw/test/exx/test_forces_ut.py |
Calc.__init__ |
4 |
0 |
0 |
100% |
| gpaw/test/exx/test_forces_ut.py |
WFS.__init__ |
25 |
0 |
0 |
100% |
| gpaw/test/exx/test_forces_ut.py |
Dens.__init__ |
4 |
0 |
0 |
100% |
| gpaw/test/exx/test_forces_ut.py |
D.__init__ |
4 |
0 |
0 |
100% |
| gpaw/test/exx/test_forces_ut.py |
energy |
7 |
0 |
0 |
100% |
| gpaw/test/exx/test_forces_ut.py |
(no function) |
53 |
0 |
0 |
100% |
| gpaw/test/exx/test_kpts.py |
atoms |
6 |
0 |
0 |
100% |
| gpaw/test/exx/test_kpts.py |
bandgap |
3 |
0 |
0 |
100% |
| gpaw/test/exx/test_kpts.py |
test_kpts |
9 |
0 |
0 |
100% |
| gpaw/test/exx/test_kpts.py |
test_2d_non_self_consistent |
14 |
0 |
0 |
100% |
| gpaw/test/exx/test_kpts.py |
(no function) |
20 |
1 |
0 |
95% |
| gpaw/test/exx/test_unocc.py |
test_exx_unocc |
31 |
2 |
0 |
94% |
| gpaw/test/exx/test_unocc.py |
(no function) |
8 |
0 |
0 |
100% |
| gpaw/test/exx/test_xc.py |
test_pbe0 |
4 |
0 |
0 |
100% |
| gpaw/test/exx/test_xc.py |
(no function) |
4 |
0 |
0 |
100% |
| gpaw/test/fd_ops/test_gd.py |
test_fd_ops_gd |
13 |
0 |
0 |
100% |
| gpaw/test/fd_ops/test_gd.py |
test_fd_ops_gd.mic |
3 |
0 |
0 |
100% |
| gpaw/test/fd_ops/test_gd.py |
test_nonorthogonal_distances |
5 |
0 |
0 |
100% |
| gpaw/test/fd_ops/test_gd.py |
(no function) |
6 |
0 |
0 |
100% |
| gpaw/test/fd_ops/test_gradient.py |
test_strange_cell |
7 |
0 |
0 |
100% |
| gpaw/test/fd_ops/test_gradient.py |
test_fd_ops_gradient |
46 |
4 |
0 |
91% |
| gpaw/test/fd_ops/test_gradient.py |
(no function) |
9 |
0 |
0 |
100% |
| gpaw/test/fd_ops/test_laplace.py |
test_fd_ops_laplace |
38 |
0 |
0 |
100% |
| gpaw/test/fd_ops/test_laplace.py |
(no function) |
9 |
0 |
0 |
100% |
| gpaw/test/fd_ops/test_nabla.py |
test_fd_ops_nabla |
30 |
0 |
0 |
100% |
| gpaw/test/fd_ops/test_nabla.py |
test_fd_ops_nabla.TestSetup.__init__ |
1 |
0 |
0 |
100% |
| gpaw/test/fd_ops/test_nabla.py |
(no function) |
7 |
0 |
0 |
100% |
| gpaw/test/fd_ops/test_non_periodic.py |
test_fd_ops_non_periodic |
20 |
0 |
0 |
100% |
| gpaw/test/fd_ops/test_non_periodic.py |
(no function) |
4 |
0 |
0 |
100% |
| gpaw/test/fd_ops/test_transformations.py |
test_fd_ops_transformations |
33 |
0 |
0 |
100% |
| gpaw/test/fd_ops/test_transformations.py |
(no function) |
6 |
0 |
0 |
100% |
| gpaw/test/fdtd/test_ed.py |
test_fdtd_ed |
22 |
0 |
0 |
100% |
| gpaw/test/fdtd/test_ed.py |
(no function) |
5 |
0 |
0 |
100% |
| gpaw/test/fdtd/test_ed_inducedfield.py |
test_fdtd_ed_inducedfield |
57 |
1 |
0 |
98% |
| gpaw/test/fdtd/test_ed_inducedfield.py |
(no function) |
9 |
0 |
0 |
100% |
| gpaw/test/fdtd/test_ed_shapes.py |
test_fdtd_ed_shapes |
16 |
0 |
0 |
100% |
| gpaw/test/fdtd/test_ed_shapes.py |
(no function) |
5 |
0 |
0 |
100% |
| gpaw/test/fdtd/test_ed_wrapper.py |
test_fdtd_ed_wrapper |
19 |
0 |
0 |
100% |
| gpaw/test/fdtd/test_ed_wrapper.py |
(no function) |
8 |
0 |
0 |
100% |
| gpaw/test/fileio/test_ascii_art.py |
test_ascii_art |
2 |
0 |
0 |
100% |
| gpaw/test/fileio/test_ascii_art.py |
(no function) |
3 |
0 |
0 |
100% |
| gpaw/test/fileio/test_file_reference.py |
test_fileio_file_reference |
7 |
0 |
0 |
100% |
| gpaw/test/fileio/test_file_reference.py |
(no function) |
4 |
0 |
0 |
100% |
| gpaw/test/fileio/test_gap.py |
test_gap_in_txt |
8 |
1 |
0 |
88% |
| gpaw/test/fileio/test_gap.py |
(no function) |
2 |
0 |
0 |
100% |
| gpaw/test/fileio/test_parallel.py |
test_fileio_parallel |
15 |
15 |
0 |
0% |
| gpaw/test/fileio/test_parallel.py |
(no function) |
8 |
0 |
0 |
100% |
| gpaw/test/fileio/test_read_old_gpw.py |
test_fileio_read_old_gpw |
7 |
5 |
0 |
29% |
| gpaw/test/fileio/test_read_old_gpw.py |
(no function) |
5 |
0 |
0 |
100% |
| gpaw/test/fileio/test_refine.py |
test_fileio_refine |
14 |
0 |
0 |
100% |
| gpaw/test/fileio/test_refine.py |
(no function) |
5 |
0 |
0 |
100% |
| gpaw/test/fileio/test_restart.py |
get_restart_test_values |
8 |
0 |
0 |
100% |
| gpaw/test/fileio/test_restart.py |
gpwfile |
1 |
0 |
0 |
100% |
| gpaw/test/fileio/test_restart.py |
test_fileio_restart |
24 |
0 |
0 |
100% |
| gpaw/test/fileio/test_restart.py |
(no function) |
8 |
0 |
0 |
100% |
| gpaw/test/fileio/test_restart_density.py |
get_restart_test_values |
9 |
1 |
0 |
89% |
| gpaw/test/fileio/test_restart_density.py |
test_fileio_restart_density |
22 |
0 |
0 |
100% |
| gpaw/test/fileio/test_restart_density.py |
(no function) |
6 |
0 |
0 |
100% |
| gpaw/test/fileio/test_wfs_auto.py |
test_fileio_wfs_auto |
8 |
0 |
0 |
100% |
| gpaw/test/fileio/test_wfs_auto.py |
(no function) |
3 |
0 |
0 |
100% |
| gpaw/test/fileio/test_wfs_io.py |
test_fileio_wfs_io |
12 |
0 |
0 |
100% |
| gpaw/test/fileio/test_wfs_io.py |
(no function) |
6 |
0 |
0 |
100% |
| gpaw/test/fuzz.py |
main |
85 |
19 |
0 |
78% |
| gpaw/test/fuzz.py |
main.pick |
1 |
1 |
0 |
0% |
| gpaw/test/fuzz.py |
run |
28 |
11 |
0 |
61% |
| gpaw/test/fuzz.py |
run2 |
30 |
4 |
0 |
87% |
| gpaw/test/fuzz.py |
check |
22 |
7 |
0 |
68% |
| gpaw/test/fuzz.py |
create_systems |
25 |
5 |
0 |
80% |
| gpaw/test/fuzz.py |
create_parameters |
8 |
2 |
0 |
75% |
| gpaw/test/fuzz.py |
create_extra_parameters |
11 |
2 |
0 |
82% |
| gpaw/test/fuzz.py |
system |
2 |
0 |
0 |
100% |
| gpaw/test/fuzz.py |
h |
3 |
0 |
0 |
100% |
| gpaw/test/fuzz.py |
h2 |
3 |
0 |
0 |
100% |
| gpaw/test/fuzz.py |
si |
2 |
0 |
0 |
100% |
| gpaw/test/fuzz.py |
fe |
3 |
0 |
0 |
100% |
| gpaw/test/fuzz.py |
li |
4 |
0 |
0 |
100% |
| gpaw/test/fuzz.py |
(no function) |
42 |
3 |
0 |
93% |
| gpaw/test/generic/test_2Al.py |
test_generic_2Al |
16 |
0 |
0 |
100% |
| gpaw/test/generic/test_2Al.py |
(no function) |
4 |
0 |
0 |
100% |
| gpaw/test/generic/test_8Si.py |
test_generic_8Si |
23 |
0 |
0 |
100% |
| gpaw/test/generic/test_8Si.py |
(no function) |
6 |
0 |
0 |
100% |
| gpaw/test/generic/test_Cl_minus.py |
test_generic_Cl_minus |
9 |
0 |
0 |
100% |
| gpaw/test/generic/test_Cl_minus.py |
(no function) |
4 |
0 |
0 |
100% |
| gpaw/test/generic/test_Cu.py |
test_generic_Cu |
17 |
0 |
0 |
100% |
| gpaw/test/generic/test_Cu.py |
(no function) |
7 |
0 |
0 |
100% |
| gpaw/test/generic/test_H_force.py |
test_generic_H_force |
16 |
0 |
0 |
100% |
| gpaw/test/generic/test_H_force.py |
(no function) |
5 |
0 |
0 |
100% |
| gpaw/test/generic/test_IP_oxygen.py |
test_generic_IP_oxygen |
18 |
0 |
0 |
100% |
| gpaw/test/generic/test_IP_oxygen.py |
(no function) |
5 |
0 |
0 |
100% |
| gpaw/test/generic/test_al_chain.py |
test_generic_al_chain |
9 |
0 |
0 |
100% |
| gpaw/test/generic/test_al_chain.py |
(no function) |
4 |
0 |
0 |
100% |
| gpaw/test/generic/test_asym_box.py |
test_generic_asym_box |
18 |
0 |
0 |
100% |
| gpaw/test/generic/test_asym_box.py |
(no function) |
6 |
0 |
0 |
100% |
| gpaw/test/generic/test_bulk.py |
test_generic_bulk |
19 |
0 |
0 |
100% |
| gpaw/test/generic/test_bulk.py |
(no function) |
5 |
0 |
0 |
100% |
| gpaw/test/generic/test_guc_force.py |
test_generic_guc_force |
34 |
10 |
0 |
71% |
| gpaw/test/generic/test_guc_force.py |
(no function) |
6 |
0 |
0 |
100% |
| gpaw/test/generic/test_hydrogen.py |
test_generic_hydrogen |
35 |
0 |
0 |
100% |
| gpaw/test/generic/test_hydrogen.py |
(no function) |
10 |
0 |
0 |
100% |
| gpaw/test/generic/test_mixer.py |
test_mixer_sum_with_spin_paired_calc |
5 |
0 |
0 |
100% |
| gpaw/test/generic/test_mixer.py |
(no function) |
2 |
0 |
0 |
100% |
| gpaw/test/generic/test_move_across_cell.py |
test_generic_move_across_cell |
16 |
1 |
0 |
94% |
| gpaw/test/generic/test_move_across_cell.py |
(no function) |
5 |
0 |
0 |
100% |
| gpaw/test/generic/test_proton.py |
test_generic_proton |
28 |
0 |
0 |
100% |
| gpaw/test/generic/test_proton.py |
(no function) |
8 |
0 |
0 |
100% |
| gpaw/test/generic/test_relax.py |
timer |
3 |
0 |
0 |
100% |
| gpaw/test/generic/test_relax.py |
test_generic_relax |
61 |
0 |
0 |
100% |
| gpaw/test/generic/test_relax.py |
(no function) |
10 |
0 |
0 |
100% |
| gpaw/test/generic/test_si.py |
test_generic_si |
10 |
0 |
0 |
100% |
| gpaw/test/generic/test_si.py |
(no function) |
4 |
0 |
0 |
100% |
| gpaw/test/generic/test_si_primitive.py |
test_generic_si_primitive |
10 |
0 |
0 |
100% |
| gpaw/test/generic/test_si_primitive.py |
(no function) |
4 |
0 |
0 |
100% |
| gpaw/test/gllb/test_atomic.py |
test_gllb_atomic |
21 |
0 |
0 |
100% |
| gpaw/test/gllb/test_atomic.py |
test_gllb_atomic.out |
1 |
0 |
0 |
100% |
| gpaw/test/gllb/test_atomic.py |
(no function) |
5 |
0 |
0 |
100% |
| gpaw/test/gllb/test_diamond.py |
test_gllb_diamond |
61 |
0 |
0 |
100% |
| gpaw/test/gllb/test_diamond.py |
(no function) |
9 |
0 |
0 |
100% |
| gpaw/test/gllb/test_gllbghost.py |
test_gllbghost |
5 |
0 |
0 |
100% |
| gpaw/test/gllb/test_gllbghost.py |
(no function) |
6 |
0 |
0 |
100% |
| gpaw/test/gllb/test_metallic.py |
run |
9 |
0 |
0 |
100% |
| gpaw/test/gllb/test_metallic.py |
test_metallic_GLLBSCM |
4 |
0 |
0 |
100% |
| gpaw/test/gllb/test_metallic.py |
(no function) |
10 |
1 |
0 |
90% |
| gpaw/test/gllb/test_ne.py |
test_gllb_ne |
22 |
1 |
0 |
95% |
| gpaw/test/gllb/test_ne.py |
(no function) |
9 |
0 |
0 |
100% |
| gpaw/test/gllb/test_ne_disc.py |
test_gllb_ne_disc |
33 |
0 |
0 |
100% |
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10 |
0 |
0 |
100% |
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check_asp |
2 |
0 |
0 |
100% |
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check_response |
10 |
0 |
0 |
100% |
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check_partitions |
4 |
0 |
0 |
100% |
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calculate_ground_state |
6 |
0 |
0 |
100% |
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ground_state_calculation |
3 |
0 |
0 |
100% |
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test_read |
5 |
0 |
0 |
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test_calculate |
6 |
0 |
0 |
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test_fixed_density |
10 |
0 |
0 |
100% |
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17 |
0 |
0 |
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test_restart_eigenvalues |
24 |
0 |
0 |
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(no function) |
9 |
0 |
0 |
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test_gllb_spin |
23 |
0 |
0 |
100% |
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6 |
0 |
0 |
100% |
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run |
9 |
0 |
0 |
100% |
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test_wrappers |
3 |
0 |
0 |
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test_eigenvalues |
3 |
0 |
0 |
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15 |
0 |
0 |
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test_acf |
22 |
1 |
0 |
95% |
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10 |
0 |
0 |
100% |
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reference_pw_amend_insert_realwf_gpu |
7 |
7 |
0 |
0% |
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test_pw_amend_insert |
9 |
9 |
0 |
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(no function) |
7 |
0 |
0 |
100% |
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test_apply_loc_pot |
18 |
0 |
0 |
100% |
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(no function) |
11 |
1 |
0 |
91% |
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test_blas |
71 |
71 |
0 |
0% |
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8 |
0 |
0 |
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test_basics |
4 |
0 |
0 |
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test_grr |
4 |
0 |
0 |
100% |
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(no function) |
10 |
0 |
0 |
100% |
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test_fd_laplace |
28 |
28 |
0 |
0% |
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(no function) |
10 |
0 |
0 |
100% |
| gpaw/test/gpu/test_fd_transformers.py |
test_fd_transformers |
30 |
30 |
0 |
0% |
| gpaw/test/gpu/test_fd_transformers.py |
(no function) |
11 |
0 |
0 |
100% |
| gpaw/test/gpu/test_hip_patch.py |
test_hip_patch_on_cuda |
16 |
13 |
0 |
19% |
| gpaw/test/gpu/test_hip_patch.py |
test_hip_patch_on_cuda.matrices |
4 |
4 |
0 |
0% |
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(no function) |
5 |
0 |
0 |
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| gpaw/test/gpu/test_kernels.py |
test_dH_aii_times_P_ani |
19 |
19 |
0 |
0% |
| gpaw/test/gpu/test_kernels.py |
test_pwlfc_expand |
37 |
37 |
0 |
0% |
| gpaw/test/gpu/test_kernels.py |
test_pw_amend_insert_realwf |
15 |
15 |
0 |
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| gpaw/test/gpu/test_kernels.py |
test_calculate_residuals |
16 |
16 |
0 |
0% |
| gpaw/test/gpu/test_kernels.py |
test_add_to_density |
16 |
16 |
0 |
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| gpaw/test/gpu/test_kernels.py |
test_pw_norm |
15 |
15 |
0 |
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test_pw_norm_kinetic |
16 |
16 |
0 |
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test_pw_insert |
23 |
23 |
0 |
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(no function) |
38 |
0 |
0 |
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test_zyrk |
10 |
0 |
0 |
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test_eigh |
13 |
0 |
0 |
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op |
5 |
1 |
0 |
80% |
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test_mul |
30 |
3 |
0 |
90% |
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22 |
1 |
0 |
95% |
| gpaw/test/gpu/test_mpi.py |
test_mpi |
7 |
0 |
0 |
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7 |
0 |
0 |
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| gpaw/test/gpu/test_poisson.py |
test_poisson |
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19 |
0 |
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10 |
0 |
0 |
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test_prec |
10 |
0 |
0 |
100% |
| gpaw/test/gpu/test_precondition.py |
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8 |
0 |
0 |
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| gpaw/test/gpu/test_pw.py |
test_gpu |
13 |
0 |
0 |
100% |
| gpaw/test/gpu/test_pw.py |
test_gpu_k |
29 |
10 |
0 |
66% |
| gpaw/test/gpu/test_pw.py |
test_2d |
14 |
0 |
0 |
100% |
| gpaw/test/gpu/test_pw.py |
(no function) |
23 |
0 |
0 |
100% |
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test_gpu_pbe |
34 |
34 |
0 |
0% |
| gpaw/test/gpu/test_xc_gpu.py |
test_gpu_lda |
26 |
26 |
0 |
0% |
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11 |
0 |
0 |
100% |
| gpaw/test/gpwfile.py |
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0 |
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100% |
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with_band_cutoff.decorator |
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with_band_cutoff.decorator.wrapper |
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partial |
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0 |
0 |
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partial.f |
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| gpaw/test/gpwfile.py |
_si_gw |
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2 |
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| gpaw/test/gpwfile.py |
si_gpwfiles |
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gpwfile |
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| gpaw/test/gpwfile.py |
GPWFiles.__init__ |
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GPWFiles._calculate_and_write |
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GPWFiles.bcc_li_pw |
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GPWFiles.bcc_li_fd |
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GPWFiles.bcc_li_lcao |
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GPWFiles.bcc_li |
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GPWFiles.be_atom_fd |
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GPWFiles.fcc_Ni_col |
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GPWFiles.fcc_Ni_ncol |
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GPWFiles.fcc_Ni_ncolsoc |
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GPWFiles._fcc_Ni |
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GPWFiles.h2_pw |
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GPWFiles.h2_lcao |
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GPWFiles.h2 |
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GPWFiles.h2_pw_0 |
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GPWFiles.h2_bcc_afm |
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GPWFiles.c2h4_do_fd |
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GPWFiles.c2h4_do_pw |
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GPWFiles.h3_maker |
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GPWFiles.h3_do_num_pw_complex |
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GPWFiles.h3_do_num_pw |
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GPWFiles.h3_do_sd_lcao |
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GPWFiles.h3_do_num_lcao |
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GPWFiles.h2o_maker |
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GPWFiles.h2o_do_gmf_lcao |
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GPWFiles.h2o_do_lcao |
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GPWFiles.h2o_cdo_lcao |
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GPWFiles.h2o_cdo_lcao_sic |
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GPWFiles.h2o_fdsic |
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GPWFiles.h2o_lcaosic |
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GPWFiles.h2o_mom_lcaosic |
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11 |
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GPWFiles.h2o_gmf_lcaosic |
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GPWFiles.h2o_mom_pwsic |
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11 |
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GPWFiles.h2o_pwsic |
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GPWFiles.h2o_mom_do_pw |
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GPWFiles.co_mom_do_lcao_forces |
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GPWFiles.h2o_mom_do_lcao |
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GPWFiles.h2o_pz_localization_pw |
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GPWFiles.c2h4_do_lcao |
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GPWFiles.h3_orthonorm_lcao |
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GPWFiles.h2_sic_scfsic |
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GPWFiles.h_magmom |
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| gpaw/test/gpwfile.py |
GPWFiles.h_hess_num_pw |
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GPWFiles.h2_break_ilcao |
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7 |
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GPWFiles.h_do_gdavid_lcao |
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GPWFiles.h2_mom_do_pwh |
7 |
7 |
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GPWFiles.h_hess_num_lcao |
7 |
7 |
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GPWFiles.silicon_pdens_tool |
9 |
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GPWFiles.h_pw |
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GPWFiles.h_chain |
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GPWFiles.h_shift |
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GPWFiles.h2_chain |
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| gpaw/test/gpwfile.py |
GPWFiles.h2_lcao_pair |
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GPWFiles.na_chain |
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GPWFiles.n2_pw |
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6 |
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GPWFiles.n_pw |
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GPWFiles.o2_pw |
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6 |
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GPWFiles.Cu3Au_qna |
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0 |
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GPWFiles.co_mom |
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6 |
0 |
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GPWFiles.co_lcao |
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6 |
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GPWFiles._c2h4 |
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GPWFiles.c2h4_pw_nosym |
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GPWFiles.c6h12_pw |
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5 |
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| gpaw/test/gpwfile.py |
GPWFiles.h2o_lcao |
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5 |
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GPWFiles.h2o_xas |
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8 |
0 |
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GPWFiles.h20_lr2_nbands8 |
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GPWFiles.h20_lr2_nbands6 |
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GPWFiles.h2o_nbands |
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GPWFiles.si_fd_ibz |
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5 |
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GPWFiles.si_fd_bz |
5 |
5 |
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GPWFiles.si_pw |
5 |
5 |
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GPWFiles.si_noisy_kpoints |
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8 |
0 |
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GPWFiles.testing_setup_path |
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GPWFiles.save_setup |
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6 |
0 |
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GPWFiles.generate_setup |
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4 |
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GPWFiles.generator2_setup |
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5 |
0 |
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GPWFiles.si_corehole_pw |
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8 |
0 |
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GPWFiles.si_corehole_sym_pw |
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3 |
0 |
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GPWFiles.si_corehole_nosym_pw |
3 |
3 |
0 |
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GPWFiles.si_corehole_sym |
7 |
7 |
0 |
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GPWFiles._fancy_si |
13 |
13 |
0 |
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GPWFiles.fancy_si_pw |
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1 |
0 |
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| gpaw/test/gpwfile.py |
GPWFiles.fancy_si_pw_nosym |
1 |
1 |
0 |
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GPWFiles._sic_pw |
10 |
10 |
0 |
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GPWFiles.sic_pw |
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1 |
0 |
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GPWFiles.sic_pw_spinpol |
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1 |
0 |
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| gpaw/test/gpwfile.py |
GPWFiles.generate_si_systems |
5 |
5 |
0 |
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| gpaw/test/gpwfile.py |
GPWFiles._si_gw |
5 |
5 |
0 |
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GPWFiles.c2_gw_more_bands |
6 |
6 |
0 |
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GPWFiles.na_pw |
7 |
7 |
0 |
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GPWFiles.na2_tddft_poisson_sym |
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1 |
0 |
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GPWFiles.na2_tddft_poisson |
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1 |
0 |
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GPWFiles.na2_tddft_dzp |
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1 |
0 |
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GPWFiles.na2_tddft_sz |
1 |
1 |
0 |
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GPWFiles._na2_tddft |
9 |
9 |
0 |
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GPWFiles.na2_fd |
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7 |
0 |
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GPWFiles.na2_fd_with_sym |
7 |
7 |
0 |
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GPWFiles.na2_isolated |
24 |
24 |
0 |
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GPWFiles.na3_pw_restart |
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2 |
0 |
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GPWFiles.na3_fd_restart |
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2 |
0 |
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GPWFiles.na3_fd_kp_restart |
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2 |
0 |
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GPWFiles.na3_fd_density_restart |
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2 |
0 |
0% |
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GPWFiles._na3_restart |
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5 |
0 |
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GPWFiles.sih4_xc_gllbsc_lcao |
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1 |
0 |
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GPWFiles.sih4_xc_gllbsc_fd |
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1 |
0 |
0% |
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GPWFiles._sih4_gllbsc |
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6 |
0 |
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GPWFiles.nacl_nospin |
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GPWFiles.nacl_spin |
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GPWFiles._nacl_mol |
6 |
6 |
0 |
0% |
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GPWFiles.nacl_fd |
7 |
7 |
0 |
0% |
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GPWFiles.bn_pw |
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4 |
0 |
0% |
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GPWFiles._hbn_pw |
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7 |
0 |
0% |
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GPWFiles.hbn_pw |
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0% |
| gpaw/test/gpwfile.py |
GPWFiles.hbn_pw_nosym |
1 |
1 |
0 |
0% |
| gpaw/test/gpwfile.py |
GPWFiles.graphene_pw |
9 |
9 |
0 |
0% |
| gpaw/test/gpwfile.py |
GPWFiles.i2sb2_pw_nosym |
4 |
4 |
0 |
0% |
| gpaw/test/gpwfile.py |
GPWFiles._bi2i6 |
14 |
14 |
0 |
0% |
| gpaw/test/gpwfile.py |
GPWFiles.bi2i6_pw |
1 |
1 |
0 |
0% |
| gpaw/test/gpwfile.py |
GPWFiles.bi2i6_pw_nosym |
1 |
1 |
0 |
0% |
| gpaw/test/gpwfile.py |
GPWFiles._mos2 |
11 |
11 |
0 |
0% |
| gpaw/test/gpwfile.py |
GPWFiles.mos2_pw |
1 |
1 |
0 |
0% |
| gpaw/test/gpwfile.py |
GPWFiles.mos2_pw_nosym |
1 |
1 |
0 |
0% |
| gpaw/test/gpwfile.py |
GPWFiles.mos2_5x5_pw |
7 |
7 |
0 |
0% |
| gpaw/test/gpwfile.py |
GPWFiles._p4 |
7 |
7 |
0 |
0% |
| gpaw/test/gpwfile.py |
GPWFiles.p4_pw |
1 |
1 |
0 |
0% |
| gpaw/test/gpwfile.py |
GPWFiles.p4_pw_spinpol |
1 |
1 |
0 |
0% |
| gpaw/test/gpwfile.py |
GPWFiles._ni_pw_kpts333 |
9 |
9 |
0 |
0% |
| gpaw/test/gpwfile.py |
GPWFiles.ni_pw |
1 |
1 |
0 |
0% |
| gpaw/test/gpwfile.py |
GPWFiles.ni_pw_kpts333 |
1 |
1 |
0 |
0% |
| gpaw/test/gpwfile.py |
GPWFiles.c_pw |
6 |
6 |
0 |
0% |
| gpaw/test/gpwfile.py |
GPWFiles._nicl2_pw |
15 |
15 |
0 |
0% |
| gpaw/test/gpwfile.py |
GPWFiles.nicl2_pw |
1 |
1 |
0 |
0% |
| gpaw/test/gpwfile.py |
GPWFiles.nicl2_pw_evac |
1 |
1 |
0 |
0% |
| gpaw/test/gpwfile.py |
GPWFiles.Tl_box_pw |
4 |
4 |
0 |
0% |
| gpaw/test/gpwfile.py |
GPWFiles._v2br4 |
20 |
20 |
0 |
0% |
| gpaw/test/gpwfile.py |
GPWFiles.v2br4_pw |
1 |
1 |
0 |
0% |
| gpaw/test/gpwfile.py |
GPWFiles.v2br4_pw_nosym |
1 |
1 |
0 |
0% |
| gpaw/test/gpwfile.py |
GPWFiles._fe |
18 |
18 |
0 |
0% |
| gpaw/test/gpwfile.py |
GPWFiles.fe_pw |
1 |
1 |
0 |
0% |
| gpaw/test/gpwfile.py |
GPWFiles.fe_pw_nosym |
1 |
1 |
0 |
0% |
| gpaw/test/gpwfile.py |
GPWFiles._co |
17 |
17 |
0 |
0% |
| gpaw/test/gpwfile.py |
GPWFiles.co_pw |
1 |
1 |
0 |
0% |
| gpaw/test/gpwfile.py |
GPWFiles.co_pw_nosym |
1 |
1 |
0 |
0% |
| gpaw/test/gpwfile.py |
GPWFiles._srvo3 |
14 |
14 |
0 |
0% |
| gpaw/test/gpwfile.py |
GPWFiles.srvo3_pw |
1 |
1 |
0 |
0% |
| gpaw/test/gpwfile.py |
GPWFiles.srvo3_pw_nosym |
1 |
1 |
0 |
0% |
| gpaw/test/gpwfile.py |
GPWFiles._al |
14 |
14 |
0 |
0% |
| gpaw/test/gpwfile.py |
GPWFiles.al_pw |
1 |
1 |
0 |
0% |
| gpaw/test/gpwfile.py |
GPWFiles.al_pw_nosym |
1 |
1 |
0 |
0% |
| gpaw/test/gpwfile.py |
GPWFiles.bse_al |
6 |
6 |
0 |
0% |
| gpaw/test/gpwfile.py |
GPWFiles.ag_plusU_pw |
13 |
13 |
0 |
0% |
| gpaw/test/gpwfile.py |
GPWFiles.gaas_pw_nosym |
1 |
1 |
0 |
0% |
| gpaw/test/gpwfile.py |
GPWFiles.gaas_pw |
1 |
1 |
0 |
0% |
| gpaw/test/gpwfile.py |
GPWFiles._gaas |
11 |
11 |
0 |
0% |
| gpaw/test/gpwfile.py |
GPWFiles.h_pw280_fulldiag |
1 |
1 |
0 |
0% |
| gpaw/test/gpwfile.py |
GPWFiles.h2_pw280_fulldiag |
1 |
1 |
0 |
0% |
| gpaw/test/gpwfile.py |
GPWFiles._pw_280_fulldiag |
8 |
8 |
0 |
0% |
| gpaw/test/gpwfile.py |
GPWFiles.fe_pw_distorted |
9 |
9 |
0 |
0% |
| gpaw/test/gpwfile.py |
GPWFiles.si8_fd |
7 |
7 |
0 |
0% |
| gpaw/test/gpwfile.py |
GPWFiles.si_pw_distorted |
7 |
7 |
0 |
0% |
| gpaw/test/gpwfile.py |
GPWFiles.IBiTe_pw_monolayer |
10 |
10 |
0 |
0% |
| gpaw/test/gpwfile.py |
GPWFiles._intraband |
7 |
7 |
0 |
0% |
| gpaw/test/gpwfile.py |
GPWFiles.intraband_spinpaired_fulldiag |
1 |
1 |
0 |
0% |
| gpaw/test/gpwfile.py |
GPWFiles.intraband_spinpolarized_fulldiag |
1 |
1 |
0 |
0% |
| gpaw/test/gpwfile.py |
(no function) |
340 |
4 |
0 |
99% |
| gpaw/test/hubbard/test_hubbard_U.py |
test_Hubbard_U |
16 |
0 |
0 |
100% |
| gpaw/test/hubbard/test_hubbard_U.py |
(no function) |
6 |
0 |
0 |
100% |
| gpaw/test/hubbard/test_hubbard_U_Zn.py |
test_Hubbard_U_Zn |
16 |
0 |
0 |
100% |
| gpaw/test/hubbard/test_hubbard_U_Zn.py |
(no function) |
5 |
0 |
0 |
100% |
| gpaw/test/hubbard/test_hubbard_U_noncollinear.py |
test_hubbard_U_noncollinear |
24 |
0 |
0 |
100% |
| gpaw/test/hubbard/test_hubbard_U_noncollinear.py |
(no function) |
5 |
0 |
0 |
100% |
| gpaw/test/hubbard/test_hubbard_U_string.py |
test_hubbard_u_string |
4 |
0 |
0 |
100% |
| gpaw/test/hubbard/test_hubbard_U_string.py |
test_single_correction_without_scale |
4 |
0 |
0 |
100% |
| gpaw/test/hubbard/test_hubbard_U_string.py |
test_multi_correction |
5 |
0 |
0 |
100% |
| gpaw/test/hubbard/test_hubbard_U_string.py |
(no function) |
5 |
0 |
0 |
100% |
| gpaw/test/hybridlcao/test_hydrogen.py |
test_h_exx_lcao |
6 |
2 |
0 |
67% |
| gpaw/test/hybridlcao/test_hydrogen.py |
(no function) |
7 |
0 |
0 |
100% |
| gpaw/test/hyperfine/test_hyperfine.py |
test_thomson_integral |
8 |
0 |
0 |
100% |
| gpaw/test/hyperfine/test_hyperfine.py |
test_thomson_integral2 |
10 |
0 |
0 |
100% |
| gpaw/test/hyperfine/test_hyperfine.py |
Setup.__init__ |
5 |
0 |
0 |
100% |
| gpaw/test/hyperfine/test_hyperfine.py |
Data.__init__ |
2 |
0 |
0 |
100% |
| gpaw/test/hyperfine/test_hyperfine.py |
things |
11 |
0 |
0 |
100% |
| gpaw/test/hyperfine/test_hyperfine.py |
test_gaussian |
12 |
0 |
0 |
100% |
| gpaw/test/hyperfine/test_hyperfine.py |
test_gaussian2 |
14 |
0 |
0 |
100% |
| gpaw/test/hyperfine/test_hyperfine.py |
test_h |
10 |
0 |
0 |
100% |
| gpaw/test/hyperfine/test_hyperfine.py |
thomson |
4 |
4 |
0 |
0% |
| gpaw/test/hyperfine/test_hyperfine.py |
test_hyper_core |
18 |
0 |
0 |
100% |
| gpaw/test/hyperfine/test_hyperfine.py |
(no function) |
32 |
0 |
0 |
100% |
| gpaw/test/hyperfine/test_hyperfine_cli.py |
test_hyperfine_cli |
15 |
0 |
0 |
100% |
| gpaw/test/hyperfine/test_hyperfine_cli.py |
(no function) |
6 |
0 |
0 |
100% |
| gpaw/test/lcao/test_analyse_basis.py |
test_analyse_basis |
9 |
0 |
0 |
100% |
| gpaw/test/lcao/test_analyse_basis.py |
(no function) |
4 |
0 |
0 |
100% |
| gpaw/test/lcao/test_atomic_corrections.py |
system1 |
6 |
0 |
0 |
100% |
| gpaw/test/lcao/test_atomic_corrections.py |
system2 |
1 |
0 |
0 |
100% |
| gpaw/test/lcao/test_atomic_corrections.py |
test_lcao_atomic_corrections |
30 |
5 |
0 |
83% |
| gpaw/test/lcao/test_atomic_corrections.py |
(no function) |
8 |
0 |
0 |
100% |
| gpaw/test/lcao/test_basis.py |
test_parse_basis_filename |
3 |
0 |
0 |
100% |
| gpaw/test/lcao/test_basis.py |
test_plot_basis |
4 |
0 |
0 |
100% |
| gpaw/test/lcao/test_basis.py |
(no function) |
7 |
0 |
0 |
100% |
| gpaw/test/lcao/test_basismaker.py |
test_basismaker_onthefly_potentials |
13 |
0 |
0 |
100% |
| gpaw/test/lcao/test_basismaker.py |
(no function) |
6 |
0 |
0 |
100% |
| gpaw/test/lcao/test_bsse.py |
test_lcao_bsse |
27 |
0 |
0 |
100% |
| gpaw/test/lcao/test_bsse.py |
test_lcao_bsse.prepare |
3 |
0 |
0 |
100% |
| gpaw/test/lcao/test_bsse.py |
(no function) |
7 |
0 |
0 |
100% |
| gpaw/test/lcao/test_bulk.py |
test_lcao_bulk |
28 |
0 |
0 |
100% |
| gpaw/test/lcao/test_bulk.py |
(no function) |
5 |
0 |
0 |
100% |
| gpaw/test/lcao/test_density.py |
test_lcao_density |
37 |
0 |
0 |
100% |
| gpaw/test/lcao/test_density.py |
(no function) |
7 |
0 |
0 |
100% |
| gpaw/test/lcao/test_dipole_transition.py |
test_dipole_transition |
48 |
0 |
0 |
100% |
| gpaw/test/lcao/test_dipole_transition.py |
(no function) |
10 |
0 |
0 |
100% |
| gpaw/test/lcao/test_dipole_transition2.py |
test_dipole_transition |
52 |
0 |
0 |
100% |
| gpaw/test/lcao/test_dipole_transition2.py |
(no function) |
9 |
0 |
0 |
100% |
| gpaw/test/lcao/test_dos.py |
test_lcao_dos |
22 |
0 |
0 |
100% |
| gpaw/test/lcao/test_dos.py |
test_lcao_dos.printdos |
5 |
0 |
0 |
100% |
| gpaw/test/lcao/test_dos.py |
(no function) |
3 |
0 |
0 |
100% |
| gpaw/test/lcao/test_fd2lcao_restart.py |
test_lcao_fd2lcao_restart |
20 |
0 |
0 |
100% |
| gpaw/test/lcao/test_fd2lcao_restart.py |
(no function) |
6 |
0 |
0 |
100% |
| gpaw/test/lcao/test_fftmixer.py |
test_lcao_fftmixer |
5 |
0 |
0 |
100% |
| gpaw/test/lcao/test_fftmixer.py |
(no function) |
5 |
0 |
0 |
100% |
| gpaw/test/lcao/test_force.py |
test_lcao_force |
41 |
9 |
0 |
78% |
| gpaw/test/lcao/test_force.py |
(no function) |
7 |
0 |
0 |
100% |
| gpaw/test/lcao/test_generate_ngto.py |
test_read_gaussian |
31 |
0 |
0 |
100% |
| gpaw/test/lcao/test_generate_ngto.py |
test_read_gaussian.w |
1 |
0 |
0 |
100% |
| gpaw/test/lcao/test_generate_ngto.py |
test_generate |
25 |
0 |
0 |
100% |
| gpaw/test/lcao/test_generate_ngto.py |
test_generate.w |
1 |
0 |
0 |
100% |
| gpaw/test/lcao/test_generate_ngto.py |
(no function) |
8 |
0 |
0 |
100% |
| gpaw/test/lcao/test_gllb_si.py |
calc |
1 |
0 |
0 |
100% |
| gpaw/test/lcao/test_gllb_si.py |
test_lcao_gllb_si |
11 |
0 |
0 |
100% |
| gpaw/test/lcao/test_gllb_si.py |
(no function) |
8 |
0 |
0 |
100% |
| gpaw/test/lcao/test_h2o.py |
test_lcao_h2o |
13 |
0 |
0 |
100% |
| gpaw/test/lcao/test_h2o.py |
(no function) |
5 |
0 |
0 |
100% |
| gpaw/test/lcao/test_kpts_many_combinations.py |
ikwargs |
15 |
4 |
0 |
73% |
| gpaw/test/lcao/test_kpts_many_combinations.py |
test_lcao_kpts_many_combinations |
52 |
1 |
0 |
98% |
| gpaw/test/lcao/test_kpts_many_combinations.py |
(no function) |
9 |
0 |
0 |
100% |
| gpaw/test/lcao/test_largecellforce.py |
test_lcao_largecellforce |
32 |
11 |
0 |
66% |
| gpaw/test/lcao/test_largecellforce.py |
(no function) |
6 |
0 |
0 |
100% |
| gpaw/test/lcao/test_lcao_complicated.py |
test_lcao_complicated |
21 |
6 |
0 |
71% |
| gpaw/test/lcao/test_lcao_complicated.py |
test_lcao_complicated.calculate |
17 |
4 |
0 |
76% |
| gpaw/test/lcao/test_lcao_complicated.py |
test_lcao_complicated.check |
1 |
1 |
0 |
0% |
| gpaw/test/lcao/test_lcao_complicated.py |
(no function) |
6 |
0 |
0 |
100% |
| gpaw/test/lcao/test_lcao_elpa.py |
test_lcao_lcao_elpa |
10 |
0 |
0 |
100% |
| gpaw/test/lcao/test_lcao_elpa.py |
(no function) |
7 |
0 |
0 |
100% |
| gpaw/test/lcao/test_lcao_elpa_kpts.py |
test_lcao_lcao_elpa_kpts |
11 |
1 |
0 |
91% |
| gpaw/test/lcao/test_lcao_elpa_kpts.py |
(no function) |
7 |
0 |
0 |
100% |
| gpaw/test/lcao/test_lcao_hamiltonian.py |
test_lcao_lcao_hamiltonian |
22 |
0 |
0 |
100% |
| gpaw/test/lcao/test_lcao_hamiltonian.py |
(no function) |
8 |
0 |
0 |
100% |
| gpaw/test/lcao/test_lcao_parallel.py |
test_lcao_lcao_parallel |
34 |
34 |
0 |
0% |
| gpaw/test/lcao/test_lcao_parallel.py |
test_lcao_lcao_parallel.run |
51 |
51 |
0 |
0% |
| gpaw/test/lcao/test_lcao_parallel.py |
(no function) |
9 |
0 |
0 |
100% |
| gpaw/test/lcao/test_lcao_parallel_kpt.py |
test_lcao_lcao_parallel_kpt |
30 |
30 |
0 |
0% |
| gpaw/test/lcao/test_lcao_parallel_kpt.py |
test_lcao_lcao_parallel_kpt.run |
51 |
51 |
0 |
0% |
| gpaw/test/lcao/test_lcao_parallel_kpt.py |
(no function) |
11 |
0 |
0 |
100% |
| gpaw/test/lcao/test_lcao_projections.py |
test_lcao_lcao_projections |
10 |
0 |
0 |
100% |
| gpaw/test/lcao/test_lcao_projections.py |
(no function) |
8 |
0 |
0 |
100% |
| gpaw/test/lcao/test_local_orbitals.py |
test_gamma_point_calculation |
13 |
0 |
0 |
100% |
| gpaw/test/lcao/test_local_orbitals.py |
test_k_point_calculation |
13 |
0 |
0 |
100% |
| gpaw/test/lcao/test_local_orbitals.py |
(no function) |
10 |
0 |
0 |
100% |
| gpaw/test/lcao/test_pair_and_coulomb.py |
test_lcao_pair_and_coulomb |
26 |
0 |
0 |
100% |
| gpaw/test/lcao/test_pair_and_coulomb.py |
(no function) |
10 |
0 |
0 |
100% |
| gpaw/test/lcao/test_scissors.py |
test_scissors |
17 |
0 |
0 |
100% |
| gpaw/test/lcao/test_scissors.py |
(no function) |
9 |
1 |
0 |
89% |
| gpaw/test/lcao/test_single_h_atom.py |
test_h_atom |
6 |
0 |
0 |
100% |
| gpaw/test/lcao/test_single_h_atom.py |
(no function) |
4 |
0 |
0 |
100% |
| gpaw/test/lcao/test_wf_restart.py |
test_restart |
16 |
1 |
0 |
94% |
| gpaw/test/lcao/test_wf_restart.py |
(no function) |
5 |
0 |
0 |
100% |
| gpaw/test/lcaotddft/__init__.py |
parallel_options |
14 |
1 |
0 |
93% |
| gpaw/test/lcaotddft/__init__.py |
calculate_time_propagation |
14 |
0 |
0 |
100% |
| gpaw/test/lcaotddft/__init__.py |
calculate_error |
7 |
1 |
0 |
86% |
| gpaw/test/lcaotddft/__init__.py |
check_txt_data |
6 |
0 |
0 |
100% |
| gpaw/test/lcaotddft/__init__.py |
check_wfs |
8 |
0 |
0 |
100% |
| gpaw/test/lcaotddft/__init__.py |
copy_and_cut_file |
7 |
0 |
0 |
100% |
| gpaw/test/lcaotddft/__init__.py |
(no function) |
15 |
0 |
0 |
100% |
| gpaw/test/lcaotddft/demo_tddft.py |
main |
36 |
36 |
0 |
0% |
| gpaw/test/lcaotddft/demo_tddft.py |
main.assert_equal |
6 |
6 |
0 |
0% |
| gpaw/test/lcaotddft/demo_tddft.py |
main.assert_equal.extract |
5 |
5 |
0 |
0% |
| gpaw/test/lcaotddft/demo_tddft.py |
(no function) |
12 |
1 |
0 |
92% |
| gpaw/test/lcaotddft/test_circular_dichroism.py |
initialize_system |
22 |
0 |
0 |
100% |
| gpaw/test/lcaotddft/test_circular_dichroism.py |
test_magnetic_moment_velocity_gauge |
9 |
0 |
0 |
100% |
| gpaw/test/lcaotddft/test_circular_dichroism.py |
test_magnetic_moment_values |
3 |
0 |
0 |
100% |
| gpaw/test/lcaotddft/test_circular_dichroism.py |
test_magnetic_moment_grid_evaluation |
2 |
0 |
0 |
100% |
| gpaw/test/lcaotddft/test_circular_dichroism.py |
test_magnetic_moment_parallel |
10 |
0 |
0 |
100% |
| gpaw/test/lcaotddft/test_circular_dichroism.py |
test_magnetic_moment_restart |
9 |
0 |
0 |
100% |
| gpaw/test/lcaotddft/test_circular_dichroism.py |
test_spectrum |
31 |
0 |
0 |
100% |
| gpaw/test/lcaotddft/test_circular_dichroism.py |
test_parse_header |
11 |
0 |
0 |
100% |
| gpaw/test/lcaotddft/test_circular_dichroism.py |
(no function) |
34 |
0 |
0 |
100% |
| gpaw/test/lcaotddft/test_fxc_is_xc.py |
test_lcaotddft_fxc_is_xc |
17 |
0 |
0 |
100% |
| gpaw/test/lcaotddft/test_fxc_is_xc.py |
(no function) |
7 |
0 |
0 |
100% |
| gpaw/test/lcaotddft/test_fxc_rpa.py |
test_lcaotddft_fxc_rpa |
10 |
0 |
0 |
100% |
| gpaw/test/lcaotddft/test_fxc_rpa.py |
(no function) |
7 |
0 |
0 |
100% |
| gpaw/test/lcaotddft/test_fxc_vs_linearize.py |
test_lcaotddft_fxc_vs_linearize |
21 |
0 |
0 |
100% |
| gpaw/test/lcaotddft/test_fxc_vs_linearize.py |
(no function) |
9 |
0 |
0 |
100% |
| gpaw/test/lcaotddft/test_laser.py |
test_laser |
26 |
0 |
0 |
100% |
| gpaw/test/lcaotddft/test_laser.py |
test_custom |
16 |
0 |
0 |
100% |
| gpaw/test/lcaotddft/test_laser.py |
test_custom.RandomPulse.__init__ |
3 |
0 |
0 |
100% |
| gpaw/test/lcaotddft/test_laser.py |
test_custom.RandomPulse.strength |
1 |
0 |
0 |
100% |
| gpaw/test/lcaotddft/test_laser.py |
test_custom.RandomPulse.todict |
1 |
0 |
0 |
100% |
| gpaw/test/lcaotddft/test_laser.py |
(no function) |
18 |
0 |
0 |
100% |
| gpaw/test/lcaotddft/test_lcaotddft_vs_lrtddft.py |
time_propagation_calculation |
10 |
0 |
0 |
100% |
| gpaw/test/lcaotddft/test_lcaotddft_vs_lrtddft.py |
lrtddft_calculation |
9 |
0 |
0 |
100% |
| gpaw/test/lcaotddft/test_lcaotddft_vs_lrtddft.py |
lrtddft2_calculation |
9 |
0 |
0 |
100% |
| gpaw/test/lcaotddft/test_lcaotddft_vs_lrtddft.py |
test_lcaotddft_vs_lrtddft |
1 |
0 |
0 |
100% |
| gpaw/test/lcaotddft/test_lcaotddft_vs_lrtddft.py |
test_lcaotddft_vs_lrtddft2 |
1 |
0 |
0 |
100% |
| gpaw/test/lcaotddft/test_lcaotddft_vs_lrtddft.py |
test_lrtddft_vs_lrtddft2 |
1 |
0 |
0 |
100% |
| gpaw/test/lcaotddft/test_lcaotddft_vs_lrtddft.py |
(no function) |
24 |
0 |
0 |
100% |
| gpaw/test/lcaotddft/test_lcaotddft_vs_lrtddft2_rpa.py |
test_lcaotddft_lcaotddft_vs_lrtddft2_rpa |
24 |
0 |
0 |
100% |
| gpaw/test/lcaotddft/test_lcaotddft_vs_lrtddft2_rpa.py |
(no function) |
11 |
0 |
0 |
100% |
| gpaw/test/lcaotddft/test_molecule.py |
nacl_spin |
1 |
0 |
0 |
100% |
| gpaw/test/lcaotddft/test_molecule.py |
nacl_nospin |
1 |
0 |
0 |
100% |
| gpaw/test/lcaotddft/test_molecule.py |
initialize_system |
6 |
0 |
0 |
100% |
| gpaw/test/lcaotddft/test_molecule.py |
test_propagated_wave_function |
7 |
0 |
0 |
100% |
| gpaw/test/lcaotddft/test_molecule.py |
test_propagation |
2 |
0 |
0 |
100% |
| gpaw/test/lcaotddft/test_molecule.py |
dipole_moment_reference |
6 |
0 |
0 |
100% |
| gpaw/test/lcaotddft/test_molecule.py |
ksd_reference |
4 |
0 |
0 |
100% |
| gpaw/test/lcaotddft/test_molecule.py |
ksd_transform_fdm |
8 |
0 |
0 |
100% |
| gpaw/test/lcaotddft/test_molecule.py |
ksd_transform_reference |
3 |
3 |
0 |
0% |
| gpaw/test/lcaotddft/test_molecule.py |
build_ksd |
6 |
1 |
0 |
83% |
| gpaw/test/lcaotddft/test_molecule.py |
load_ksd |
6 |
0 |
0 |
100% |
| gpaw/test/lcaotddft/test_molecule.py |
ksd_transform |
3 |
0 |
0 |
100% |
| gpaw/test/lcaotddft/test_molecule.py |
test_ksd_transform |
5 |
5 |
0 |
0% |
| gpaw/test/lcaotddft/test_molecule.py |
test_ksd_transform_real_only |
12 |
12 |
0 |
0% |
| gpaw/test/lcaotddft/test_molecule.py |
test_dipole_moment_from_ksd |
11 |
0 |
0 |
100% |
| gpaw/test/lcaotddft/test_molecule.py |
get_density_fdm |
12 |
0 |
0 |
100% |
| gpaw/test/lcaotddft/test_molecule.py |
density_reference |
4 |
0 |
0 |
100% |
| gpaw/test/lcaotddft/test_molecule.py |
test_ksd_vs_dmat_density |
5 |
0 |
0 |
100% |
| gpaw/test/lcaotddft/test_molecule.py |
density |
6 |
0 |
0 |
100% |
| gpaw/test/lcaotddft/test_molecule.py |
test_density |
6 |
0 |
0 |
100% |
| gpaw/test/lcaotddft/test_molecule.py |
test_dipole_moment_from_density |
11 |
0 |
0 |
100% |
| gpaw/test/lcaotddft/test_molecule.py |
test_read_ksd |
8 |
0 |
0 |
100% |
| gpaw/test/lcaotddft/test_molecule.py |
initialize_system_spinpol |
2 |
0 |
0 |
100% |
| gpaw/test/lcaotddft/test_molecule.py |
test_spinpol_dipole_moment |
1 |
0 |
0 |
100% |
| gpaw/test/lcaotddft/test_molecule.py |
test_spinpol_propagation |
3 |
0 |
0 |
100% |
| gpaw/test/lcaotddft/test_molecule.py |
(no function) |
75 |
0 |
0 |
100% |
| gpaw/test/lcaotddft/test_periodic.py |
initialize_system |
8 |
0 |
0 |
100% |
| gpaw/test/lcaotddft/test_periodic.py |
test_propagated_wave_function |
7 |
0 |
0 |
100% |
| gpaw/test/lcaotddft/test_periodic.py |
test_propagation |
2 |
0 |
0 |
100% |
| gpaw/test/lcaotddft/test_periodic.py |
(no function) |
18 |
0 |
0 |
100% |
| gpaw/test/lcaotddft/test_propagators.py |
test_propagators |
14 |
0 |
0 |
100% |
| gpaw/test/lcaotddft/test_propagators.py |
test_velocity |
12 |
0 |
0 |
100% |
| gpaw/test/lcaotddft/test_propagators.py |
(no function) |
11 |
0 |
0 |
100% |
| gpaw/test/lcaotddft/test_replay.py |
test_lcaotddft_replay |
27 |
0 |
0 |
100% |
| gpaw/test/lcaotddft/test_replay.py |
(no function) |
9 |
0 |
0 |
100% |
| gpaw/test/lcaotddft/test_restart.py |
test_lcaotddft_restart |
35 |
0 |
0 |
100% |
| gpaw/test/lcaotddft/test_restart.py |
(no function) |
13 |
0 |
0 |
100% |
| gpaw/test/lcaotddft/test_rremission.py |
test_rremission |
27 |
0 |
0 |
100% |
| gpaw/test/lcaotddft/test_rremission.py |
test_legacy_parameters |
7 |
0 |
0 |
100% |
| gpaw/test/lcaotddft/test_rremission.py |
(no function) |
11 |
0 |
0 |
100% |
| gpaw/test/lcaotddft/test_simple.py |
test_lcaotddft_simple |
21 |
0 |
0 |
100% |
| gpaw/test/lcaotddft/test_simple.py |
test_lcaotddft_laser |
13 |
0 |
0 |
100% |
| gpaw/test/lcaotddft/test_simple.py |
test_lcaotddft_fail_with_symmetry |
2 |
0 |
0 |
100% |
| gpaw/test/lcaotddft/test_simple.py |
(no function) |
17 |
0 |
0 |
100% |
| gpaw/test/lfc/test_derivatives.py |
test_lfc_derivatives |
42 |
0 |
0 |
100% |
| gpaw/test/lfc/test_derivatives.py |
(no function) |
5 |
0 |
0 |
100% |
| gpaw/test/lfc/test_lf.py |
test_lfc_lf |
16 |
0 |
0 |
100% |
| gpaw/test/lfc/test_lf.py |
(no function) |
6 |
0 |
0 |
100% |
| gpaw/test/lfc/test_second_derivative.py |
test_lfc_second_derivative |
35 |
0 |
0 |
100% |
| gpaw/test/lfc/test_second_derivative.py |
(no function) |
7 |
0 |
0 |
100% |
| gpaw/test/linalg/test_blas.py |
test_gemm_size_zero |
8 |
0 |
0 |
100% |
| gpaw/test/linalg/test_blas.py |
test_linalg_blas |
42 |
0 |
0 |
100% |
| gpaw/test/linalg/test_blas.py |
(no function) |
5 |
0 |
0 |
100% |
| gpaw/test/linalg/test_dot.py |
test_linalg_dot |
10 |
0 |
0 |
100% |
| gpaw/test/linalg/test_dot.py |
(no function) |
2 |
0 |
0 |
100% |
| gpaw/test/linalg/test_gemm.py |
test_linalg_gemm |
14 |
0 |
0 |
100% |
| gpaw/test/linalg/test_gemm.py |
(no function) |
6 |
0 |
0 |
100% |
| gpaw/test/linalg/test_gemm_complex.py |
test_linalg_gemm_complex |
12 |
0 |
0 |
100% |
| gpaw/test/linalg/test_gemm_complex.py |
(no function) |
3 |
0 |
0 |
100% |
| gpaw/test/linalg/test_lapack.py |
test_linalg_lapack |
8 |
0 |
0 |
100% |
| gpaw/test/linalg/test_lapack.py |
(no function) |
4 |
0 |
0 |
100% |
| gpaw/test/linalg/test_magma.py |
fix_eigenvector_phase |
12 |
12 |
0 |
0% |
| gpaw/test/linalg/test_magma.py |
eigh_test_matrix |
2 |
2 |
0 |
0% |
| gpaw/test/linalg/test_magma.py |
eigh_test_matrix._generate |
11 |
11 |
0 |
0% |
| gpaw/test/linalg/test_magma.py |
test_eigh_magma_cpu |
7 |
7 |
0 |
0% |
| gpaw/test/linalg/test_magma.py |
test_eigh_magma_gpu |
7 |
7 |
0 |
0% |
| gpaw/test/linalg/test_magma.py |
(no function) |
17 |
0 |
0 |
100% |
| gpaw/test/linalg/test_mmm.py |
test_linalg_mmm |
12 |
0 |
0 |
100% |
| gpaw/test/linalg/test_mmm.py |
test_linalg_mmm.op |
5 |
0 |
0 |
100% |
| gpaw/test/linalg/test_mmm.py |
test_linalg_mmm.matrix |
3 |
0 |
0 |
100% |
| gpaw/test/linalg/test_mmm.py |
(no function) |
3 |
0 |
0 |
100% |
| gpaw/test/linalg/test_zher.py |
test_linalg_zher |
25 |
0 |
0 |
100% |
| gpaw/test/linalg/test_zher.py |
(no function) |
6 |
0 |
0 |
100% |
| gpaw/test/lrtddft/conftest.py |
H2struct |
4 |
0 |
0 |
100% |
| gpaw/test/lrtddft/conftest.py |
H2 |
4 |
0 |
0 |
100% |
| gpaw/test/lrtddft/conftest.py |
(no function) |
7 |
0 |
0 |
100% |
| gpaw/test/lrtddft/test_1.py |
H2 |
4 |
0 |
0 |
100% |
| gpaw/test/lrtddft/test_1.py |
H2spin |
4 |
0 |
0 |
100% |
| gpaw/test/lrtddft/test_1.py |
lr |
3 |
0 |
0 |
100% |
| gpaw/test/lrtddft/test_1.py |
lr_vspin |
3 |
0 |
0 |
100% |
| gpaw/test/lrtddft/test_1.py |
lr_spin |
3 |
0 |
0 |
100% |
| gpaw/test/lrtddft/test_1.py |
test_finegrid |
5 |
0 |
0 |
100% |
| gpaw/test/lrtddft/test_1.py |
test_velocity_form |
2 |
0 |
0 |
100% |
| gpaw/test/lrtddft/test_1.py |
test_singlet_triplet |
9 |
0 |
0 |
100% |
| gpaw/test/lrtddft/test_1.py |
test_spin |
25 |
0 |
0 |
100% |
| gpaw/test/lrtddft/test_1.py |
test_io |
6 |
0 |
0 |
100% |
| gpaw/test/lrtddft/test_1.py |
(no function) |
27 |
0 |
0 |
100% |
| gpaw/test/lrtddft/test_2.py |
test_lrtddft_2 |
24 |
0 |
0 |
100% |
| gpaw/test/lrtddft/test_2.py |
(no function) |
7 |
0 |
0 |
100% |
| gpaw/test/lrtddft/test_3.py |
test_lrtddft_3 |
63 |
0 |
0 |
100% |
| gpaw/test/lrtddft/test_3.py |
(no function) |
14 |
0 |
0 |
100% |
| gpaw/test/lrtddft/test_apmb.py |
test_lrtddft_apmb |
54 |
2 |
0 |
96% |
| gpaw/test/lrtddft/test_apmb.py |
(no function) |
8 |
0 |
0 |
100% |
| gpaw/test/lrtddft/test_dielectric.py |
H2 |
7 |
0 |
0 |
100% |
| gpaw/test/lrtddft/test_dielectric.py |
lrtddft |
3 |
0 |
0 |
100% |
| gpaw/test/lrtddft/test_dielectric.py |
test_get |
4 |
0 |
0 |
100% |
| gpaw/test/lrtddft/test_dielectric.py |
test_write |
3 |
0 |
0 |
100% |
| gpaw/test/lrtddft/test_dielectric.py |
(no function) |
14 |
0 |
0 |
100% |
| gpaw/test/lrtddft/test_excited_state.py |
get_H2 |
7 |
0 |
0 |
100% |
| gpaw/test/lrtddft/test_excited_state.py |
get_H3 |
8 |
8 |
0 |
0% |
| gpaw/test/lrtddft/test_excited_state.py |
test_split |
14 |
0 |
0 |
100% |
| gpaw/test/lrtddft/test_excited_state.py |
test_lrtddft_excited_state |
38 |
0 |
0 |
100% |
| gpaw/test/lrtddft/test_excited_state.py |
test_io |
28 |
0 |
0 |
100% |
| gpaw/test/lrtddft/test_excited_state.py |
test_log |
34 |
1 |
0 |
97% |
| gpaw/test/lrtddft/test_excited_state.py |
test_forces |
16 |
4 |
0 |
75% |
| gpaw/test/lrtddft/test_excited_state.py |
test_unequal_parralel_work |
13 |
11 |
0 |
15% |
| gpaw/test/lrtddft/test_excited_state.py |
(no function) |
24 |
0 |
0 |
100% |
| gpaw/test/lrtddft/test_kssingles.py |
test_old_io |
15 |
0 |
0 |
100% |
| gpaw/test/lrtddft/test_kssingles.py |
ch4 |
5 |
0 |
0 |
100% |
| gpaw/test/lrtddft/test_kssingles.py |
ch4_kss |
4 |
0 |
0 |
100% |
| gpaw/test/lrtddft/test_kssingles.py |
test_io |
21 |
0 |
0 |
100% |
| gpaw/test/lrtddft/test_kssingles.py |
test_mul |
4 |
0 |
0 |
100% |
| gpaw/test/lrtddft/test_kssingles.py |
test_add_sub |
12 |
0 |
0 |
100% |
| gpaw/test/lrtddft/test_kssingles.py |
(no function) |
17 |
0 |
0 |
100% |
| gpaw/test/lrtddft/test_kssingles_Be.py |
test_lrtddft_kssingles_Be |
41 |
0 |
0 |
100% |
| gpaw/test/lrtddft/test_kssingles_Be.py |
(no function) |
10 |
0 |
0 |
100% |
| gpaw/test/lrtddft/test_lrtddft2.py |
C3H6O |
5 |
0 |
0 |
100% |
| gpaw/test/lrtddft/test_lrtddft2.py |
test_lrtddft2 |
22 |
0 |
0 |
100% |
| gpaw/test/lrtddft/test_lrtddft2.py |
(no function) |
12 |
0 |
0 |
100% |
| gpaw/test/lrtddft/test_lrtddft_basics.py |
get_H2 |
7 |
0 |
0 |
100% |
| gpaw/test/lrtddft/test_lrtddft_basics.py |
test_io |
16 |
0 |
0 |
100% |
| gpaw/test/lrtddft/test_lrtddft_basics.py |
test_invocation |
10 |
0 |
0 |
100% |
| gpaw/test/lrtddft/test_lrtddft_basics.py |
(no function) |
10 |
0 |
0 |
100% |
| gpaw/test/lrtddft/test_lrtddft_log.py |
get_H2 |
7 |
0 |
0 |
100% |
| gpaw/test/lrtddft/test_lrtddft_log.py |
run_and_delete |
7 |
0 |
0 |
100% |
| gpaw/test/lrtddft/test_lrtddft_log.py |
test_log |
23 |
0 |
0 |
100% |
| gpaw/test/lrtddft/test_lrtddft_log.py |
(no function) |
9 |
0 |
0 |
100% |
| gpaw/test/lrtddft/test_pes.py |
test_lrtddft_pes |
42 |
0 |
0 |
100% |
| gpaw/test/lrtddft/test_pes.py |
(no function) |
10 |
0 |
0 |
100% |
| gpaw/test/lrtddft/test_placzek_profeta_albrecht.py |
test_lrtddft_placzek_profeta_albrecht |
35 |
0 |
0 |
100% |
| gpaw/test/lrtddft/test_placzek_profeta_albrecht.py |
(no function) |
15 |
0 |
0 |
100% |
| gpaw/test/lrtddft/test_rpa.py |
test_rpa |
6 |
0 |
0 |
100% |
| gpaw/test/lrtddft/test_rpa.py |
(no function) |
4 |
0 |
0 |
100% |
| gpaw/test/lrtddft/test_rraman.py |
test_lrtddft |
7 |
0 |
0 |
100% |
| gpaw/test/lrtddft/test_rraman.py |
(no function) |
7 |
0 |
0 |
100% |
| gpaw/test/lrtddft/test_select.py |
oxygen |
6 |
0 |
0 |
100% |
| gpaw/test/lrtddft/test_select.py |
test_digonalize |
13 |
0 |
0 |
100% |
| gpaw/test/lrtddft/test_select.py |
test_window |
7 |
0 |
0 |
100% |
| gpaw/test/lrtddft/test_select.py |
(no function) |
10 |
0 |
0 |
100% |
| gpaw/test/lrtddft2/test_Al2.py |
test_lrtddft2_Al2 |
43 |
5 |
0 |
88% |
| gpaw/test/lrtddft2/test_Al2.py |
(no function) |
8 |
0 |
0 |
100% |
| gpaw/test/lrtddft2/test_H2O-lcao.py |
test_lrtddft2_H2O_lcao |
10 |
0 |
0 |
100% |
| gpaw/test/lrtddft2/test_H2O-lcao.py |
(no function) |
6 |
0 |
0 |
100% |
| gpaw/test/lrtddft2/test_parameters.py |
no_error |
1 |
0 |
0 |
100% |
| gpaw/test/lrtddft2/test_parameters.py |
test_max_energy_diff |
3 |
0 |
0 |
100% |
| gpaw/test/lrtddft2/test_parameters.py |
test_indices_with_max_energy_diff |
6 |
0 |
0 |
100% |
| gpaw/test/lrtddft2/test_parameters.py |
test_indices |
2 |
0 |
0 |
100% |
| gpaw/test/lrtddft2/test_parameters.py |
(no function) |
22 |
0 |
0 |
100% |
| gpaw/test/maths/test_fftw.py |
check |
11 |
0 |
0 |
100% |
| gpaw/test/maths/test_fftw.py |
test_fft |
9 |
0 |
0 |
100% |
| gpaw/test/maths/test_fftw.py |
(no function) |
8 |
0 |
0 |
100% |
| gpaw/test/maths/test_fsbt.py |
test_maths_fsbt |
20 |
0 |
0 |
100% |
| gpaw/test/maths/test_fsbt.py |
(no function) |
3 |
0 |
0 |
100% |
| gpaw/test/matrix/test_eigh.py |
test_matrix_eigh |
21 |
21 |
0 |
0% |
| gpaw/test/matrix/test_eigh.py |
(no function) |
6 |
0 |
0 |
100% |
| gpaw/test/matrix/test_eighg.py |
test_eighg |
38 |
0 |
0 |
100% |
| gpaw/test/matrix/test_eighg.py |
(no function) |
7 |
0 |
0 |
100% |
| gpaw/test/matrix/test_inv.py |
test_inv |
20 |
1 |
0 |
95% |
| gpaw/test/matrix/test_inv.py |
(no function) |
8 |
1 |
0 |
88% |
| gpaw/test/matrix/test_invcholesky.py |
test_invcholesky |
19 |
1 |
0 |
95% |
| gpaw/test/matrix/test_invcholesky.py |
(no function) |
7 |
0 |
0 |
100% |
| gpaw/test/matrix/test_multiply.py |
test_mmm |
22 |
0 |
0 |
100% |
| gpaw/test/matrix/test_multiply.py |
(no function) |
7 |
0 |
0 |
100% |
| gpaw/test/matrix/test_sliced_multiply.py |
test_sliced_multiply |
12 |
0 |
0 |
100% |
| gpaw/test/matrix/test_sliced_multiply.py |
(no function) |
9 |
3 |
0 |
67% |
| gpaw/test/matrix/test_to.py |
test_to_xp_dtype |
8 |
0 |
0 |
100% |
| gpaw/test/matrix/test_to.py |
(no function) |
7 |
0 |
0 |
100% |
| gpaw/test/matrix/test_tril2full.py |
test_tril2full |
20 |
0 |
0 |
100% |
| gpaw/test/matrix/test_tril2full.py |
(no function) |
5 |
0 |
0 |
100% |
| gpaw/test/mgga/test_mgga_restart.py |
test_mgga_mgga_restart |
27 |
0 |
0 |
100% |
| gpaw/test/mgga/test_mgga_restart.py |
(no function) |
5 |
0 |
0 |
100% |
| gpaw/test/mgga/test_mgga_sc.py |
test_mgga_mgga_sc |
12 |
0 |
0 |
100% |
| gpaw/test/mgga/test_mgga_sc.py |
test_mgga_mgga_sc.getkwargs |
1 |
0 |
0 |
100% |
| gpaw/test/mgga/test_mgga_sc.py |
(no function) |
5 |
0 |
0 |
100% |
| gpaw/test/mgga/test_nsc_MGGA.py |
test_mgga_nsc_MGGA |
49 |
0 |
0 |
100% |
| gpaw/test/mgga/test_nsc_MGGA.py |
test_mgga_nsc_MGGA.xc |
1 |
0 |
0 |
100% |
| gpaw/test/mgga/test_nsc_MGGA.py |
test_mgga_nsc_MGGA.getkwargs |
1 |
0 |
0 |
100% |
| gpaw/test/mgga/test_nsc_MGGA.py |
(no function) |
5 |
0 |
0 |
100% |
| gpaw/test/mgga/test_symm.py |
test_symm_mgga |
12 |
0 |
0 |
100% |
| gpaw/test/mgga/test_symm.py |
(no function) |
5 |
0 |
0 |
100% |
| gpaw/test/mixing/test_co.py |
test_co_new_mixing |
8 |
0 |
0 |
100% |
| gpaw/test/mixing/test_co.py |
(no function) |
7 |
0 |
0 |
100% |
| gpaw/test/mmefile.py |
MMEFiles.__init__ |
2 |
0 |
0 |
100% |
| gpaw/test/mmefile.py |
MMEFiles._calculate_and_write |
4 |
0 |
0 |
100% |
| gpaw/test/mmefile.py |
(no function) |
8 |
0 |
0 |
100% |
| gpaw/test/mom/test_mom_fd_energy.py |
test_mom_fd_spinpol |
26 |
0 |
0 |
100% |
| gpaw/test/mom/test_mom_fd_energy.py |
test_mom_fd_spinpair |
17 |
0 |
0 |
100% |
| gpaw/test/mom/test_mom_fd_energy.py |
(no function) |
9 |
0 |
0 |
100% |
| gpaw/test/mom/test_mom_lcao_forces.py |
test_mom_lcao_forces |
34 |
0 |
0 |
100% |
| gpaw/test/mom/test_mom_lcao_forces.py |
(no function) |
7 |
0 |
0 |
100% |
| gpaw/test/mom/test_mom_lcao_smearing.py |
test_mom_lcao_smearing |
20 |
0 |
0 |
100% |
| gpaw/test/mom/test_mom_lcao_smearing.py |
(no function) |
5 |
0 |
0 |
100% |
| gpaw/test/new/test_apply_ham.py |
apply |
12 |
0 |
0 |
100% |
| gpaw/test/new/test_apply_ham.py |
test_apply_ham |
1 |
0 |
0 |
100% |
| gpaw/test/new/test_apply_ham.py |
main |
3 |
3 |
0 |
0% |
| gpaw/test/new/test_apply_ham.py |
(no function) |
13 |
1 |
0 |
92% |
| gpaw/test/new/test_calc_info.py |
test_calc_info |
15 |
0 |
0 |
100% |
| gpaw/test/new/test_calc_info.py |
(no function) |
6 |
0 |
0 |
100% |
| gpaw/test/new/test_cell_change.py |
test_new_cell |
24 |
0 |
0 |
100% |
| gpaw/test/new/test_cell_change.py |
test_new_cell_1d |
24 |
0 |
0 |
100% |
| gpaw/test/new/test_cell_change.py |
(no function) |
9 |
0 |
0 |
100% |
| gpaw/test/new/test_code_graph.py |
test_code_graph |
3 |
0 |
0 |
100% |
| gpaw/test/new/test_code_graph.py |
(no function) |
5 |
0 |
0 |
100% |
| gpaw/test/new/test_hybrid.py |
test_pawexxvv |
9 |
0 |
0 |
100% |
| gpaw/test/new/test_hybrid.py |
test_hse06 |
16 |
3 |
0 |
81% |
| gpaw/test/new/test_hybrid.py |
test_h |
9 |
1 |
0 |
89% |
| gpaw/test/new/test_hybrid.py |
(no function) |
11 |
1 |
0 |
91% |
| gpaw/test/new/test_input_params.py |
test_params |
2 |
0 |
0 |
100% |
| gpaw/test/new/test_input_params.py |
(no function) |
3 |
0 |
0 |
100% |
| gpaw/test/new/test_max_buffer_mem.py |
test_max_buffer_mem |
7 |
0 |
0 |
100% |
| gpaw/test/new/test_max_buffer_mem.py |
(no function) |
8 |
0 |
0 |
100% |
| gpaw/test/new/test_move_wfs.py |
test_move |
13 |
0 |
0 |
100% |
| gpaw/test/new/test_move_wfs.py |
(no function) |
13 |
0 |
0 |
100% |
| gpaw/test/new/test_pckl.py |
test_pckl |
8 |
0 |
0 |
100% |
| gpaw/test/new/test_pckl.py |
(no function) |
7 |
0 |
0 |
100% |
| gpaw/test/new/test_pwlfc_expand.py |
test_pwlfc_expand |
39 |
0 |
0 |
100% |
| gpaw/test/new/test_pwlfc_expand.py |
(no function) |
4 |
0 |
0 |
100% |
| gpaw/test/new/test_single_precision.py |
test_single_precision |
7 |
4 |
0 |
43% |
| gpaw/test/new/test_single_precision.py |
test_single_precision_gpu |
1 |
1 |
0 |
0% |
| gpaw/test/new/test_single_precision.py |
test_single_precision_rmmdiis_gpu |
1 |
1 |
0 |
0% |
| gpaw/test/new/test_single_precision.py |
run_single_precision |
8 |
0 |
0 |
100% |
| gpaw/test/new/test_single_precision.py |
run_single_precision_rmmdiis |
7 |
7 |
0 |
0% |
| gpaw/test/new/test_single_precision.py |
(no function) |
26 |
0 |
0 |
100% |
| gpaw/test/new/test_tb_mode.py |
test_tb_mode_molecule |
3 |
0 |
0 |
100% |
| gpaw/test/new/test_tb_mode.py |
test_tb_mode_bulk |
5 |
0 |
0 |
100% |
| gpaw/test/new/test_tb_mode.py |
(no function) |
9 |
0 |
0 |
100% |
| gpaw/test/new/test_write.py |
test_write_new_single |
17 |
0 |
0 |
100% |
| gpaw/test/new/test_write.py |
(no function) |
6 |
0 |
0 |
100% |
| gpaw/test/nlopt/test_adapter.py |
test_adapter_pseudo_wfs |
11 |
0 |
0 |
100% |
| gpaw/test/nlopt/test_adapter.py |
(no function) |
6 |
0 |
0 |
100% |
| gpaw/test/nlopt/test_linear.py |
test_chi_spinpol |
13 |
0 |
0 |
100% |
| gpaw/test/nlopt/test_linear.py |
(no function) |
6 |
0 |
0 |
100% |
| gpaw/test/nlopt/test_mme.py |
test_mme_Ni |
15 |
0 |
0 |
100% |
| gpaw/test/nlopt/test_mme.py |
(no function) |
5 |
0 |
0 |
100% |
| gpaw/test/nlopt/test_nlodata.py |
generate_testing_data |
6 |
0 |
0 |
100% |
| gpaw/test/nlopt/test_nlodata.py |
test_write_load_serial |
8 |
0 |
0 |
100% |
| gpaw/test/nlopt/test_nlodata.py |
test_serial_file_parallel_data |
16 |
4 |
0 |
75% |
| gpaw/test/nlopt/test_nlodata.py |
test_write_load_parallel |
12 |
0 |
0 |
100% |
| gpaw/test/nlopt/test_nlodata.py |
(no function) |
9 |
0 |
0 |
100% |
| gpaw/test/nlopt/test_shg.py |
test_shg_spinpol |
14 |
0 |
0 |
100% |
| gpaw/test/nlopt/test_shg.py |
(no function) |
6 |
0 |
0 |
100% |
| gpaw/test/nlopt/test_shift.py |
test_shift_spinpol |
13 |
0 |
0 |
100% |
| gpaw/test/nlopt/test_shift.py |
(no function) |
6 |
0 |
0 |
100% |
| gpaw/test/noncollinear/test_GGA.py |
test_noncollinear_GGA |
5 |
0 |
0 |
100% |
| gpaw/test/noncollinear/test_GGA.py |
(no function) |
4 |
0 |
0 |
100% |
| gpaw/test/noncollinear/test_complex_densmat.py |
test_energy_from_complex_densmat |
30 |
0 |
0 |
100% |
| gpaw/test/noncollinear/test_complex_densmat.py |
test_energy_from_complex_densmat.calc_energies |
2 |
0 |
0 |
100% |
| gpaw/test/noncollinear/test_complex_densmat.py |
(no function) |
9 |
0 |
0 |
100% |
| gpaw/test/noncollinear/test_kinetic_energy.py |
test_kinetic_energy |
16 |
0 |
0 |
100% |
| gpaw/test/noncollinear/test_kinetic_energy.py |
(no function) |
8 |
0 |
0 |
100% |
| gpaw/test/noncollinear/test_o2.py |
test_noncollinear_o2 |
34 |
31 |
0 |
9% |
| gpaw/test/noncollinear/test_o2.py |
(no function) |
5 |
0 |
0 |
100% |
| gpaw/test/noncollinear/test_rad_pot.py |
test_rad_pot |
10 |
0 |
0 |
100% |
| gpaw/test/noncollinear/test_rad_pot.py |
test_proj_soc |
8 |
0 |
0 |
100% |
| gpaw/test/noncollinear/test_rad_pot.py |
(no function) |
7 |
0 |
0 |
100% |
| gpaw/test/noncollinear/test_soc.py |
check |
6 |
0 |
0 |
100% |
| gpaw/test/noncollinear/test_soc.py |
check_pol |
3 |
0 |
0 |
100% |
| gpaw/test/noncollinear/test_soc.py |
test_soc_self_consistent |
16 |
1 |
0 |
94% |
| gpaw/test/noncollinear/test_soc.py |
test_non_collinear_plus_soc |
7 |
0 |
0 |
100% |
| gpaw/test/noncollinear/test_soc.py |
test_soc_non_self_consistent |
7 |
0 |
0 |
100% |
| gpaw/test/noncollinear/test_soc.py |
(no function) |
19 |
0 |
0 |
100% |
| gpaw/test/noncollinear/test_spin_dir_constraint.py |
test_spin_dir_constraint_H |
10 |
0 |
0 |
100% |
| gpaw/test/noncollinear/test_spin_dir_constraint.py |
test_spin_dir_constraint_derivative |
18 |
0 |
0 |
100% |
| gpaw/test/noncollinear/test_spin_dir_constraint.py |
(no function) |
12 |
0 |
0 |
100% |
| gpaw/test/ofdft/test_ofdft.py |
test_ofdft_ofdft |
22 |
0 |
0 |
100% |
| gpaw/test/ofdft/test_ofdft.py |
(no function) |
8 |
0 |
0 |
100% |
| gpaw/test/ofdft/test_ofdft_pbc.py |
test_ofdft_ofdft_pbc |
17 |
0 |
0 |
100% |
| gpaw/test/ofdft/test_ofdft_pbc.py |
(no function) |
8 |
0 |
0 |
100% |
| gpaw/test/ofdft/test_ofdft_scale.py |
test_ofdft_ofdft_scale |
24 |
0 |
0 |
100% |
| gpaw/test/ofdft/test_ofdft_scale.py |
(no function) |
9 |
0 |
0 |
100% |
| gpaw/test/parallel/scalapack_pdlasrt_hang.py |
test_scalapack_pdlasrt_hang |
13 |
13 |
0 |
0% |
| gpaw/test/parallel/scalapack_pdlasrt_hang.py |
(no function) |
7 |
0 |
0 |
100% |
| gpaw/test/parallel/test_arraydict_redist.py |
test_parallel_arraydict_redist |
29 |
3 |
0 |
90% |
| gpaw/test/parallel/test_arraydict_redist.py |
test_parallel_arraydict_redist.shape |
1 |
0 |
0 |
100% |
| gpaw/test/parallel/test_arraydict_redist.py |
test_parallel_arraydict_redist.check |
15 |
0 |
0 |
100% |
| gpaw/test/parallel/test_arraydict_redist.py |
(no function) |
5 |
0 |
0 |
100% |
| gpaw/test/parallel/test_augment_grid.py |
test_parallel_augment_grid |
27 |
0 |
0 |
100% |
| gpaw/test/parallel/test_augment_grid.py |
(no function) |
5 |
0 |
0 |
100% |
| gpaw/test/parallel/test_blacsdist.py |
check |
33 |
0 |
0 |
100% |
| gpaw/test/parallel/test_blacsdist.py |
test_parallel_blacsdist |
11 |
0 |
0 |
100% |
| gpaw/test/parallel/test_blacsdist.py |
(no function) |
5 |
0 |
0 |
100% |
| gpaw/test/parallel/test_compare.py |
test_parallel_compare |
10 |
7 |
0 |
30% |
| gpaw/test/parallel/test_compare.py |
(no function) |
4 |
0 |
0 |
100% |
| gpaw/test/parallel/test_davidson_scalapack.py |
get_calculator |
2 |
0 |
0 |
100% |
| gpaw/test/parallel/test_davidson_scalapack.py |
test_davidson_scalapack_eigenvalues |
12 |
0 |
0 |
100% |
| gpaw/test/parallel/test_davidson_scalapack.py |
(no function) |
7 |
0 |
0 |
100% |
| gpaw/test/parallel/test_diamond_gllb.py |
test_parallel_diamond_gllb |
27 |
27 |
0 |
0% |
| gpaw/test/parallel/test_diamond_gllb.py |
(no function) |
7 |
0 |
0 |
100% |
| gpaw/test/parallel/test_fd_parallel.py |
test_parallel_fd_parallel |
39 |
39 |
0 |
0% |
| gpaw/test/parallel/test_fd_parallel.py |
test_parallel_fd_parallel.run |
48 |
48 |
0 |
0% |
| gpaw/test/parallel/test_fd_parallel.py |
(no function) |
9 |
0 |
0 |
100% |
| gpaw/test/parallel/test_fd_parallel_kpt.py |
test_parallel_fd_parallel_kpt |
35 |
35 |
0 |
0% |
| gpaw/test/parallel/test_fd_parallel_kpt.py |
test_parallel_fd_parallel_kpt.run |
51 |
51 |
0 |
0% |
| gpaw/test/parallel/test_fd_parallel_kpt.py |
(no function) |
12 |
0 |
0 |
100% |
| gpaw/test/parallel/test_kptpar.py |
test_parallel_kptpar |
20 |
15 |
0 |
25% |
| gpaw/test/parallel/test_kptpar.py |
(no function) |
6 |
0 |
0 |
100% |
| gpaw/test/parallel/test_mkl_scalapack_eig.py |
test_mkl_eig |
23 |
21 |
0 |
9% |
| gpaw/test/parallel/test_mkl_scalapack_eig.py |
(no function) |
8 |
0 |
0 |
100% |
| gpaw/test/parallel/test_mpi.py |
test_send_receive_object |
7 |
5 |
0 |
29% |
| gpaw/test/parallel/test_mpi.py |
test_scalar_reduce |
6 |
0 |
0 |
100% |
| gpaw/test/parallel/test_mpi.py |
test_bcast_array |
15 |
10 |
0 |
33% |
| gpaw/test/parallel/test_mpi.py |
(no function) |
16 |
2 |
0 |
88% |
| gpaw/test/parallel/test_parallel_eigh.py |
parallel_eigh |
26 |
3 |
0 |
88% |
| gpaw/test/parallel/test_parallel_eigh.py |
test_parallel_parallel_eigh |
17 |
7 |
0 |
59% |
| gpaw/test/parallel/test_parallel_eigh.py |
(no function) |
10 |
1 |
0 |
90% |
| gpaw/test/parallel/test_pblas.py |
initialize_random |
6 |
0 |
0 |
100% |
| gpaw/test/parallel/test_pblas.py |
initialize_random.random |
1 |
0 |
0 |
100% |
| gpaw/test/parallel/test_pblas.py |
initialize_alpha_beta |
6 |
0 |
0 |
100% |
| gpaw/test/parallel/test_pblas.py |
initialize_matrix |
8 |
0 |
0 |
100% |
| gpaw/test/parallel/test_pblas.py |
calculate_error |
8 |
1 |
0 |
88% |
| gpaw/test/parallel/test_pblas.py |
test_pblas_rk_r2k |
45 |
2 |
0 |
96% |
| gpaw/test/parallel/test_pblas.py |
test_pblas_gemv |
19 |
1 |
0 |
95% |
| gpaw/test/parallel/test_pblas.py |
test_pblas_gemm |
19 |
1 |
0 |
95% |
| gpaw/test/parallel/test_pblas.py |
test_pblas_hemm_symm |
26 |
1 |
0 |
96% |
| gpaw/test/parallel/test_pblas.py |
test_pblas_hemm_symm.generate_A_matrix |
10 |
0 |
0 |
100% |
| gpaw/test/parallel/test_pblas.py |
(no function) |
42 |
3 |
0 |
93% |
| gpaw/test/parallel/test_redistribute_grid.py |
test_parallel_redistribute_grid |
1 |
0 |
0 |
100% |
| gpaw/test/parallel/test_redistribute_grid.py |
(no function) |
2 |
0 |
0 |
100% |
| gpaw/test/parallel/test_scalapack.py |
test_scalapack_diagonalize_inverse |
81 |
4 |
0 |
95% |
| gpaw/test/parallel/test_scalapack.py |
test_scalapack_solve |
13 |
1 |
0 |
92% |
| gpaw/test/parallel/test_scalapack.py |
(no function) |
18 |
0 |
0 |
100% |
| gpaw/test/parallel/test_scalapack_diag_simple.py |
test_parallel_scalapack_diag_simple |
35 |
1 |
0 |
97% |
| gpaw/test/parallel/test_scalapack_diag_simple.py |
(no function) |
10 |
0 |
0 |
100% |
| gpaw/test/parallel/test_scalapack_mpirecv_crash.py |
test_parallel_scalapack_mpirecv_crash |
13 |
13 |
0 |
0% |
| gpaw/test/parallel/test_scalapack_mpirecv_crash.py |
(no function) |
7 |
0 |
0 |
100% |
| gpaw/test/parallel/test_submatrix_redist.py |
test_parallel_submatrix_redist |
25 |
1 |
0 |
96% |
| gpaw/test/parallel/test_submatrix_redist.py |
(no function) |
3 |
0 |
0 |
100% |
| gpaw/test/pathological/test_LDA_unstable.py |
test_pathological_LDA_unstable |
11 |
0 |
0 |
100% |
| gpaw/test/pathological/test_LDA_unstable.py |
(no function) |
4 |
0 |
0 |
100% |
| gpaw/test/pathological/test_lcao_spos_derivative.py |
test_pathological_lcao_spos_derivative |
7 |
0 |
0 |
100% |
| gpaw/test/pathological/test_lcao_spos_derivative.py |
(no function) |
4 |
0 |
0 |
100% |
| gpaw/test/pipekmezey/test_pm_Hchain.py |
test_pipekmezey_chain |
12 |
0 |
0 |
100% |
| gpaw/test/pipekmezey/test_pm_Hchain.py |
(no function) |
7 |
0 |
0 |
100% |
| gpaw/test/pipekmezey/test_pm_fd.py |
test_pipekmezey_fd |
9 |
0 |
0 |
100% |
| gpaw/test/pipekmezey/test_pm_fd.py |
(no function) |
6 |
0 |
0 |
100% |
| gpaw/test/pipekmezey/test_pm_lcao.py |
test_pipekmezey_lcao |
9 |
0 |
0 |
100% |
| gpaw/test/pipekmezey/test_pm_lcao.py |
(no function) |
6 |
0 |
0 |
100% |
| gpaw/test/pipekmezey/test_pm_lcao_hirshfeld.py |
test_pipekmezey_lcao_hirshfeld |
9 |
0 |
0 |
100% |
| gpaw/test/pipekmezey/test_pm_lcao_hirshfeld.py |
(no function) |
6 |
0 |
0 |
100% |
| gpaw/test/pipekmezey/test_pm_pw.py |
test_pipekmezey_pw |
9 |
0 |
0 |
100% |
| gpaw/test/pipekmezey/test_pm_pw.py |
(no function) |
6 |
0 |
0 |
100% |
| gpaw/test/pipekmezey/test_pm_spin.py |
test_pipekmezey_spin |
13 |
0 |
0 |
100% |
| gpaw/test/pipekmezey/test_pm_spin.py |
(no function) |
6 |
0 |
0 |
100% |
| gpaw/test/point_groups/test_C2v.py |
test_c2v |
12 |
0 |
0 |
100% |
| gpaw/test/point_groups/test_C2v.py |
(no function) |
5 |
0 |
0 |
100% |
| gpaw/test/point_groups/test_cli.py |
test_pg_cli |
6 |
0 |
0 |
100% |
| gpaw/test/point_groups/test_cli.py |
test_pg_cli_cube |
10 |
0 |
0 |
100% |
| gpaw/test/point_groups/test_cli.py |
(no function) |
8 |
0 |
0 |
100% |
| gpaw/test/point_groups/test_pointgroup_properties.py |
test_for_various_errors |
3 |
0 |
0 |
100% |
| gpaw/test/point_groups/test_pointgroup_properties.py |
test_translations |
10 |
0 |
0 |
100% |
| gpaw/test/point_groups/test_pointgroup_properties.py |
test_pg |
30 |
0 |
0 |
100% |
| gpaw/test/point_groups/test_pointgroup_properties.py |
(no function) |
13 |
0 |
0 |
100% |
| gpaw/test/poisson/test_bloechl.py |
g |
1 |
0 |
0 |
100% |
| gpaw/test/poisson/test_bloechl.py |
c |
9 |
0 |
0 |
100% |
| gpaw/test/poisson/test_bloechl.py |
test_psolve |
45 |
0 |
0 |
100% |
| gpaw/test/poisson/test_bloechl.py |
fast_slow |
11 |
11 |
0 |
0% |
| gpaw/test/poisson/test_bloechl.py |
(no function) |
18 |
2 |
0 |
89% |
| gpaw/test/poisson/test_fastpoisson.py |
test_poisson_fastpoisson |
18 |
0 |
0 |
100% |
| gpaw/test/poisson/test_fastpoisson.py |
test_poisson_fastpoisson.icells |
10 |
0 |
0 |
100% |
| gpaw/test/poisson/test_fastpoisson.py |
test_poisson_fastpoisson.test |
26 |
0 |
0 |
100% |
| gpaw/test/poisson/test_fastpoisson.py |
test_poisson_fastpoisson.test.get_residual_err |
13 |
0 |
0 |
100% |
| gpaw/test/poisson/test_fastpoisson.py |
(no function) |
9 |
0 |
0 |
100% |
| gpaw/test/poisson/test_metallic_poisson.py |
test_poisson_metallic_poisson |
17 |
0 |
0 |
100% |
| gpaw/test/poisson/test_metallic_poisson.py |
(no function) |
5 |
0 |
0 |
100% |
| gpaw/test/poisson/test_poisson.py |
test_poisson_poisson |
18 |
0 |
0 |
100% |
| gpaw/test/poisson/test_poisson.py |
test_poisson_poisson.f |
15 |
0 |
0 |
100% |
| gpaw/test/poisson/test_poisson.py |
(no function) |
8 |
0 |
0 |
100% |
| gpaw/test/poisson/test_poisson_asym.py |
test_poisson_poisson_asym |
18 |
0 |
0 |
100% |
| gpaw/test/poisson/test_poisson_asym.py |
(no function) |
4 |
0 |
0 |
100% |
| gpaw/test/poisson/test_poisson_cell_change.py |
test_poisson_cell_change |
10 |
0 |
0 |
100% |
| gpaw/test/poisson/test_poisson_cell_change.py |
(no function) |
7 |
0 |
0 |
100% |
| gpaw/test/poisson/test_poisson_extravacuum.py |
test_poisson_poisson_extravacuum |
63 |
15 |
0 |
76% |
| gpaw/test/poisson/test_poisson_extravacuum.py |
test_poisson_poisson_extravacuum.plot_phi |
12 |
11 |
0 |
8% |
| gpaw/test/poisson/test_poisson_extravacuum.py |
test_poisson_poisson_extravacuum.poisson_solve |
9 |
2 |
0 |
78% |
| gpaw/test/poisson/test_poisson_extravacuum.py |
test_poisson_poisson_extravacuum.poisson_init_solve |
4 |
0 |
0 |
100% |
| gpaw/test/poisson/test_poisson_extravacuum.py |
test_poisson_poisson_extravacuum.compare |
8 |
1 |
0 |
88% |
| gpaw/test/poisson/test_poisson_extravacuum.py |
(no function) |
9 |
0 |
0 |
100% |
| gpaw/test/poisson/test_poisson_moment.py |
test_defaults |
5 |
0 |
0 |
100% |
| gpaw/test/poisson/test_poisson_moment.py |
test_description_empty |
8 |
0 |
0 |
100% |
| gpaw/test/poisson/test_poisson_moment.py |
test_description |
10 |
0 |
0 |
100% |
| gpaw/test/poisson/test_poisson_moment.py |
test_repr |
6 |
0 |
0 |
100% |
| gpaw/test/poisson/test_poisson_moment.py |
gd |
4 |
0 |
0 |
100% |
| gpaw/test/poisson/test_poisson_moment.py |
test_write |
10 |
0 |
0 |
100% |
| gpaw/test/poisson/test_poisson_moment.py |
rho_g |
6 |
0 |
0 |
100% |
| gpaw/test/poisson/test_poisson_moment.py |
poisson_solve |
2 |
0 |
0 |
100% |
| gpaw/test/poisson/test_poisson_moment.py |
poisson_solve._poisson_solve |
4 |
0 |
0 |
100% |
| gpaw/test/poisson/test_poisson_moment.py |
compare |
8 |
0 |
0 |
100% |
| gpaw/test/poisson/test_poisson_moment.py |
compare._compare |
7 |
0 |
0 |
100% |
| gpaw/test/poisson/test_poisson_moment.py |
poisson_ref |
7 |
1 |
0 |
86% |
| gpaw/test/poisson/test_poisson_moment.py |
test_poisson_moment_correction |
4 |
0 |
0 |
100% |
| gpaw/test/poisson/test_poisson_moment.py |
(no function) |
29 |
0 |
0 |
100% |
| gpaw/test/poisson/test_poisson_restart.py |
test_poisson_poisson_restart |
40 |
0 |
0 |
100% |
| gpaw/test/poisson/test_poisson_restart.py |
(no function) |
13 |
0 |
0 |
100% |
| gpaw/test/poisson/test_pw_charged.py |
test_charged_pw_poisson |
15 |
0 |
0 |
100% |
| gpaw/test/poisson/test_pw_charged.py |
test_pw_proton |
6 |
0 |
0 |
100% |
| gpaw/test/poisson/test_pw_charged.py |
(no function) |
9 |
0 |
0 |
100% |
| gpaw/test/poisson/test_screened_poisson.py |
test_poisson_screened_poisson |
19 |
0 |
0 |
100% |
| gpaw/test/poisson/test_screened_poisson.py |
(no function) |
5 |
0 |
0 |
100% |
| gpaw/test/poisson/test_sjm.py |
f |
1 |
0 |
0 |
100% |
| gpaw/test/poisson/test_sjm.py |
test_sjm |
26 |
0 |
0 |
100% |
| gpaw/test/poisson/test_sjm.py |
(no function) |
10 |
1 |
0 |
90% |
| gpaw/test/ps2ae/test_ae_k.py |
test_ae_k |
12 |
6 |
0 |
50% |
| gpaw/test/ps2ae/test_ae_k.py |
(no function) |
8 |
0 |
0 |
100% |
| gpaw/test/ps2ae/test_bader.py |
test_bader |
18 |
7 |
0 |
61% |
| gpaw/test/ps2ae/test_bader.py |
(no function) |
10 |
0 |
0 |
100% |
| gpaw/test/pseudopotential/H_pz_hgh.py |
(no function) |
1 |
0 |
0 |
100% |
| gpaw/test/pseudopotential/H_sg15.py |
(no function) |
1 |
0 |
0 |
100% |
| gpaw/test/pseudopotential/O_pz_hgh.py |
(no function) |
1 |
0 |
0 |
100% |
| gpaw/test/pseudopotential/test_ah.py |
test_pseudopotential_ah |
9 |
0 |
0 |
100% |
| gpaw/test/pseudopotential/test_ah.py |
(no function) |
5 |
0 |
0 |
100% |
| gpaw/test/pseudopotential/test_atompaw.py |
test_pseudopotential_atompaw |
11 |
0 |
0 |
100% |
| gpaw/test/pseudopotential/test_atompaw.py |
test_pseudopotential_atompaw.check |
8 |
0 |
0 |
100% |
| gpaw/test/pseudopotential/test_atompaw.py |
test_pseudopotential_atompaw.upf |
3 |
0 |
0 |
100% |
| gpaw/test/pseudopotential/test_atompaw.py |
(no function) |
6 |
0 |
0 |
100% |
| gpaw/test/pseudopotential/test_hgh_h2o.py |
test_pseudopotential_hgh_h2o |
52 |
15 |
0 |
71% |
| gpaw/test/pseudopotential/test_hgh_h2o.py |
(no function) |
5 |
0 |
0 |
100% |
| gpaw/test/pseudopotential/test_sg15_hydrogen.py |
test_pseudopotential_sg15_hydrogen |
14 |
0 |
0 |
100% |
| gpaw/test/pseudopotential/test_sg15_hydrogen.py |
test_pseudopotential_sg15_hydrogen.getkwargs |
1 |
0 |
0 |
100% |
| gpaw/test/pseudopotential/test_sg15_hydrogen.py |
(no function) |
3 |
0 |
0 |
100% |
| gpaw/test/pseudopotential/test_sg15_ni.py |
test_sg15_ni |
8 |
4 |
0 |
50% |
| gpaw/test/pseudopotential/test_sg15_ni.py |
(no function) |
3 |
0 |
0 |
100% |
| gpaw/test/pseudopotential/test_upf_h2o.py |
get |
2 |
2 |
0 |
0% |
| gpaw/test/pseudopotential/test_upf_h2o.py |
test_psp_upf_h2o |
13 |
13 |
0 |
0% |
| gpaw/test/pseudopotential/test_upf_h2o.py |
(no function) |
5 |
0 |
0 |
100% |
| gpaw/test/pw/test_augment_grids.py |
test_pw_augment_grids |
14 |
0 |
0 |
100% |
| gpaw/test/pw/test_augment_grids.py |
test_pw_augment_grids.calculate |
14 |
8 |
0 |
43% |
| gpaw/test/pw/test_augment_grids.py |
(no function) |
10 |
0 |
0 |
100% |
| gpaw/test/pw/test_bulk.py |
test_pw_bulk |
12 |
0 |
0 |
100% |
| gpaw/test/pw/test_bulk.py |
(no function) |
6 |
0 |
0 |
100% |
| gpaw/test/pw/test_davidson_pw.py |
test_pw_davidson_pw |
18 |
0 |
0 |
100% |
| gpaw/test/pw/test_davidson_pw.py |
(no function) |
6 |
0 |
0 |
100% |
| gpaw/test/pw/test_direct.py |
test_pw_direct |
8 |
3 |
0 |
62% |
| gpaw/test/pw/test_direct.py |
(no function) |
6 |
0 |
0 |
100% |
| gpaw/test/pw/test_electrostatic_potential.py |
test_electrostatic_potential |
3 |
0 |
0 |
100% |
| gpaw/test/pw/test_electrostatic_potential.py |
(no function) |
2 |
0 |
0 |
100% |
| gpaw/test/pw/test_expert_diag.py |
test_pw_expert_diag |
36 |
0 |
0 |
100% |
| gpaw/test/pw/test_expert_diag.py |
(no function) |
8 |
1 |
0 |
88% |
| gpaw/test/pw/test_fe_stress_mgga.py |
test_pw_fe_stress_mgga |
12 |
1 |
0 |
92% |
| gpaw/test/pw/test_fe_stress_mgga.py |
(no function) |
7 |
0 |
0 |
100% |
| gpaw/test/pw/test_fftmixer.py |
test_pw_fftmixer |
5 |
0 |
0 |
100% |
| gpaw/test/pw/test_fftmixer.py |
(no function) |
6 |
0 |
0 |
100% |
| gpaw/test/pw/test_fulldiag.py |
test_pw_fulldiag |
29 |
1 |
0 |
97% |
| gpaw/test/pw/test_fulldiag.py |
(no function) |
4 |
0 |
0 |
100% |
| gpaw/test/pw/test_fulldiag_mgga.py |
test_full_hamiltonian |
7 |
0 |
0 |
100% |
| gpaw/test/pw/test_fulldiag_mgga.py |
(no function) |
6 |
0 |
0 |
100% |
| gpaw/test/pw/test_fulldiagk.py |
test_pw_fulldiagk |
36 |
2 |
0 |
94% |
| gpaw/test/pw/test_fulldiagk.py |
(no function) |
6 |
1 |
0 |
83% |
| gpaw/test/pw/test_h.py |
test_pw_h |
12 |
0 |
0 |
100% |
| gpaw/test/pw/test_h.py |
(no function) |
4 |
0 |
0 |
100% |
| gpaw/test/pw/test_interpol.py |
test_pw_interpol |
29 |
0 |
0 |
100% |
| gpaw/test/pw/test_interpol.py |
test_pw_interpol.test |
9 |
0 |
0 |
100% |
| gpaw/test/pw/test_interpol.py |
(no function) |
6 |
0 |
0 |
100% |
| gpaw/test/pw/test_lfc.py |
test_pw_lfc |
37 |
0 |
0 |
100% |
| gpaw/test/pw/test_lfc.py |
(no function) |
11 |
0 |
0 |
100% |
| gpaw/test/pw/test_moleculecg.py |
test_pw_moleculecg |
4 |
0 |
0 |
100% |
| gpaw/test/pw/test_moleculecg.py |
(no function) |
8 |
0 |
0 |
100% |
| gpaw/test/pw/test_par_strategies.py |
test_pw_par_strategies |
17 |
0 |
0 |
100% |
| gpaw/test/pw/test_par_strategies.py |
(no function) |
17 |
0 |
0 |
100% |
| gpaw/test/pw/test_reallfc.py |
test_pw_reallfc |
39 |
0 |
0 |
100% |
| gpaw/test/pw/test_reallfc.py |
(no function) |
9 |
0 |
0 |
100% |
| gpaw/test/pw/test_si_stress.py |
test_pw_si_stress |
12 |
0 |
0 |
100% |
| gpaw/test/pw/test_si_stress.py |
(no function) |
7 |
0 |
0 |
100% |
| gpaw/test/pw/test_si_stress_libvdwxc.py |
_check_libvdwxc_stress |
14 |
14 |
0 |
0% |
| gpaw/test/pw/test_si_stress_libvdwxc.py |
test_pw_si_stress_libvdwxc_gga |
3 |
3 |
0 |
0% |
| gpaw/test/pw/test_si_stress_libvdwxc.py |
test_pw_si_stress_libvdwxc_mgga |
4 |
4 |
0 |
0% |
| gpaw/test/pw/test_si_stress_libvdwxc.py |
(no function) |
23 |
3 |
0 |
87% |
| gpaw/test/pw/test_si_stress_mgga.py |
test_pw_si_stress_mgga |
18 |
1 |
0 |
94% |
| gpaw/test/pw/test_si_stress_mgga.py |
(no function) |
8 |
0 |
0 |
100% |
| gpaw/test/pw/test_slab.py |
test_pw_slab |
10 |
0 |
0 |
100% |
| gpaw/test/pw/test_slab.py |
(no function) |
9 |
0 |
0 |
100% |
| gpaw/test/pw/test_smallanglecell.py |
test_pw_smallanglecell |
9 |
0 |
0 |
100% |
| gpaw/test/pw/test_smallanglecell.py |
(no function) |
5 |
0 |
0 |
100% |
| gpaw/test/pw/test_stresstest.py |
test_stress |
43 |
0 |
0 |
100% |
| gpaw/test/pw/test_stresstest.py |
(no function) |
7 |
0 |
0 |
100% |
| gpaw/test/radial/test_integral4.py |
test_radial_integral4 |
9 |
0 |
0 |
100% |
| gpaw/test/radial/test_integral4.py |
test_radial_integral4.f |
1 |
0 |
0 |
100% |
| gpaw/test/radial/test_integral4.py |
(no function) |
6 |
0 |
0 |
100% |
| gpaw/test/radial/test_lebedev.py |
test_radial_lebedev |
4 |
0 |
0 |
100% |
| gpaw/test/radial/test_lebedev.py |
(no function) |
4 |
0 |
0 |
100% |
| gpaw/test/radial/test_pseudize.py |
test_smoothness |
17 |
0 |
0 |
100% |
| gpaw/test/radial/test_pseudize.py |
(no function) |
3 |
0 |
0 |
100% |
| gpaw/test/radial/test_two_phi_plw_integrals.py |
test_pair_density_paw_correction |
43 |
0 |
0 |
100% |
| gpaw/test/radial/test_two_phi_plw_integrals.py |
(no function) |
3 |
0 |
0 |
100% |
| gpaw/test/radial/test_ylexpand.py |
test_radial_ylexpand |
36 |
3 |
0 |
92% |
| gpaw/test/radial/test_ylexpand.py |
test_radial_ylexpand.max_index |
7 |
0 |
0 |
100% |
| gpaw/test/radial/test_ylexpand.py |
(no function) |
7 |
0 |
0 |
100% |
| gpaw/test/radial/test_yukawa_radial.py |
rgd |
3 |
0 |
0 |
100% |
| gpaw/test/radial/test_yukawa_radial.py |
radial_sto |
6 |
0 |
0 |
100% |
| gpaw/test/radial/test_yukawa_radial.py |
test_different_sto |
12 |
0 |
0 |
100% |
| gpaw/test/radial/test_yukawa_radial.py |
test_poisson |
14 |
0 |
0 |
100% |
| gpaw/test/radial/test_yukawa_radial.py |
test_same_sto |
14 |
0 |
0 |
100% |
| gpaw/test/radial/test_yukawa_radial.py |
(no function) |
12 |
0 |
0 |
100% |
| gpaw/test/ralda/test_pbe_deriv.py |
eps_unif_x |
1 |
0 |
0 |
100% |
| gpaw/test/ralda/test_pbe_deriv.py |
test_pbe_x_derivs |
9 |
0 |
0 |
100% |
| gpaw/test/ralda/test_pbe_deriv.py |
test_pbe_x_derivs.numderiv |
1 |
0 |
0 |
100% |
| gpaw/test/ralda/test_pbe_deriv.py |
(no function) |
6 |
0 |
0 |
100% |
| gpaw/test/ralda/test_ralda_H2.py |
test_ralda_energy_H2 |
4 |
0 |
0 |
100% |
| gpaw/test/ralda/test_ralda_H2.py |
(no function) |
7 |
0 |
0 |
100% |
| gpaw/test/ralda/test_ralda_He.py |
calc |
7 |
0 |
0 |
100% |
| gpaw/test/ralda/test_ralda_He.py |
test_ralda_ralda_energy_He |
8 |
0 |
0 |
100% |
| gpaw/test/ralda/test_ralda_He.py |
(no function) |
14 |
0 |
0 |
100% |
| gpaw/test/ralda/test_ralda_Ni.py |
ni_gpw |
1 |
0 |
0 |
100% |
| gpaw/test/ralda/test_ralda_Ni.py |
test_Ni |
3 |
0 |
0 |
100% |
| gpaw/test/ralda/test_ralda_Ni.py |
(no function) |
8 |
0 |
0 |
100% |
| gpaw/test/response/mpa_interpolation_scalar.py |
Xeval |
2 |
0 |
0 |
100% |
| gpaw/test/response/mpa_interpolation_scalar.py |
mpa_cond1 |
9 |
1 |
0 |
89% |
| gpaw/test/response/mpa_interpolation_scalar.py |
mpa_E_1p_solver |
3 |
0 |
0 |
100% |
| gpaw/test/response/mpa_interpolation_scalar.py |
pole_is_out |
12 |
4 |
0 |
67% |
| gpaw/test/response/mpa_interpolation_scalar.py |
mpa_cond |
19 |
0 |
0 |
100% |
| gpaw/test/response/mpa_interpolation_scalar.py |
mpa_R_1p_fit |
12 |
0 |
0 |
100% |
| gpaw/test/response/mpa_interpolation_scalar.py |
mpa_R_fit |
14 |
0 |
0 |
100% |
| gpaw/test/response/mpa_interpolation_scalar.py |
mpa_E_solver_Pade |
15 |
0 |
0 |
100% |
| gpaw/test/response/mpa_interpolation_scalar.py |
mpa_RE_solver |
9 |
0 |
0 |
100% |
| gpaw/test/response/mpa_interpolation_scalar.py |
(no function) |
17 |
0 |
0 |
100% |
| gpaw/test/response/test_Na_EELS_RPA_tetra_point_comparison.py |
test_response_Na_EELS_RPA_tetra_point_comparison |
32 |
0 |
0 |
100% |
| gpaw/test/response/test_Na_EELS_RPA_tetra_point_comparison.py |
(no function) |
11 |
0 |
0 |
100% |
| gpaw/test/response/test_WGG_GaAs.py |
test_Wsymm |
11 |
0 |
0 |
100% |
| gpaw/test/response/test_WGG_GaAs.py |
test_Wsymm.calc_gs |
10 |
0 |
0 |
100% |
| gpaw/test/response/test_WGG_GaAs.py |
test_Wsymm.get_IBZ_k |
3 |
0 |
0 |
100% |
| gpaw/test/response/test_WGG_GaAs.py |
test_Wsymm.calc_W |
16 |
0 |
0 |
100% |
| gpaw/test/response/test_WGG_GaAs.py |
(no function) |
12 |
0 |
0 |
100% |
| gpaw/test/response/test_afm_hchain_sf_gssALDA.py |
test_response_afm_hchain_gssALDA |
68 |
2 |
0 |
97% |
| gpaw/test/response/test_afm_hchain_sf_gssALDA.py |
calculate_afm_mw |
1 |
0 |
0 |
100% |
| gpaw/test/response/test_afm_hchain_sf_gssALDA.py |
(no function) |
20 |
0 |
0 |
100% |
| gpaw/test/response/test_aluminum_EELS_ALDA.py |
test_response_aluminum_EELS_ALDA |
23 |
4 |
0 |
83% |
| gpaw/test/response/test_aluminum_EELS_ALDA.py |
(no function) |
11 |
0 |
0 |
100% |
| gpaw/test/response/test_aluminum_EELS_RPA.py |
test_response_aluminum_EELS_RPA |
45 |
0 |
0 |
100% |
| gpaw/test/response/test_aluminum_EELS_RPA.py |
(no function) |
14 |
0 |
0 |
100% |
| gpaw/test/response/test_au02_absorption.py |
gpwfile |
10 |
0 |
0 |
100% |
| gpaw/test/response/test_au02_absorption.py |
test_response_au02_absorption |
21 |
0 |
0 |
100% |
| gpaw/test/response/test_au02_absorption.py |
(no function) |
12 |
0 |
0 |
100% |
| gpaw/test/response/test_bse_MoS2_cut.py |
create_bse |
2 |
0 |
0 |
100% |
| gpaw/test/response/test_bse_MoS2_cut.py |
test_response_bse_MoS2_cut |
26 |
0 |
0 |
100% |
| gpaw/test/response/test_bse_MoS2_cut.py |
(no function) |
9 |
0 |
0 |
100% |
| gpaw/test/response/test_bse_aluminum.py |
test_response_bse_aluminum |
24 |
0 |
0 |
100% |
| gpaw/test/response/test_bse_aluminum.py |
(no function) |
8 |
0 |
0 |
100% |
| gpaw/test/response/test_bse_exclude_states.py |
test_bse_exclude_states |
14 |
0 |
0 |
100% |
| gpaw/test/response/test_bse_exclude_states.py |
(no function) |
5 |
0 |
0 |
100% |
| gpaw/test/response/test_bse_h_spinpol.py |
test_bse_spinpol |
10 |
0 |
0 |
100% |
| gpaw/test/response/test_bse_h_spinpol.py |
(no function) |
8 |
0 |
0 |
100% |
| gpaw/test/response/test_bse_magnon.py |
test_response_bse_magnon |
24 |
24 |
0 |
0% |
| gpaw/test/response/test_bse_magnon.py |
(no function) |
11 |
0 |
0 |
100% |
| gpaw/test/response/test_bse_parallel_delete.py |
test_bse_parallel_delete |
29 |
1 |
0 |
97% |
| gpaw/test/response/test_bse_parallel_delete.py |
(no function) |
5 |
0 |
0 |
100% |
| gpaw/test/response/test_bse_parse_bands.py |
test_response_bse_parse_bands |
14 |
0 |
0 |
100% |
| gpaw/test/response/test_bse_parse_bands.py |
(no function) |
5 |
0 |
0 |
100% |
| gpaw/test/response/test_bse_silicon.py |
test_response_bse_silicon |
39 |
0 |
0 |
100% |
| gpaw/test/response/test_bse_silicon.py |
(no function) |
9 |
0 |
0 |
100% |
| gpaw/test/response/test_chi0.py |
test_response_chi0 |
39 |
0 |
0 |
100% |
| gpaw/test/response/test_chi0.py |
(no function) |
11 |
0 |
0 |
100% |
| gpaw/test/response/test_chi0_band_exclusion.py |
test_chi0_band_exclusion |
42 |
0 |
0 |
100% |
| gpaw/test/response/test_chi0_band_exclusion.py |
(no function) |
8 |
0 |
0 |
100% |
| gpaw/test/response/test_chi0_cylindrical.py |
test_response_gw_MoS2_cut |
8 |
0 |
0 |
100% |
| gpaw/test/response/test_chi0_cylindrical.py |
(no function) |
6 |
0 |
0 |
100% |
| gpaw/test/response/test_chi0_intraband.py |
Helper.__init__ |
2 |
0 |
0 |
100% |
| gpaw/test/response/test_chi0_intraband.py |
Helper.df |
1 |
0 |
0 |
100% |
| gpaw/test/response/test_chi0_intraband.py |
Helper.lfc |
1 |
0 |
0 |
100% |
| gpaw/test/response/test_chi0_intraband.py |
Helper.wp |
2 |
0 |
0 |
100% |
| gpaw/test/response/test_chi0_intraband.py |
Helper.w_w |
1 |
0 |
0 |
100% |
| gpaw/test/response/test_chi0_intraband.py |
Helper._compare_peak |
6 |
0 |
0 |
100% |
| gpaw/test/response/test_chi0_intraband.py |
Helper.compare_peaks |
2 |
0 |
0 |
100% |
| gpaw/test/response/test_chi0_intraband.py |
test_chi0_intraband |
20 |
0 |
0 |
100% |
| gpaw/test/response/test_chi0_intraband.py |
(no function) |
22 |
0 |
0 |
100% |
| gpaw/test/response/test_chi0_update.py |
test_si_update_consistency |
23 |
0 |
0 |
100% |
| gpaw/test/response/test_chi0_update.py |
(no function) |
9 |
0 |
0 |
100% |
| gpaw/test/response/test_chiks.py |
generate_system_s |
3 |
0 |
0 |
100% |
| gpaw/test/response/test_chiks.py |
generate_qrel_q |
2 |
0 |
0 |
100% |
| gpaw/test/response/test_chiks.py |
get_q_c |
8 |
1 |
0 |
88% |
| gpaw/test/response/test_chiks.py |
get_tolerances |
36 |
1 |
0 |
97% |
| gpaw/test/response/test_chiks.py |
generate_gc_g |
2 |
0 |
0 |
100% |
| gpaw/test/response/test_chiks.py |
generate_nblocks_n |
6 |
2 |
0 |
67% |
| gpaw/test/response/test_chiks.py |
test_chiks |
25 |
1 |
0 |
96% |
| gpaw/test/response/test_chiks.py |
test_chiks_vs_chi0 |
19 |
0 |
0 |
100% |
| gpaw/test/response/test_chiks.py |
test_xi |
26 |
1 |
0 |
96% |
| gpaw/test/response/test_chiks.py |
ChiKSTestingFactory.__init__ |
9 |
0 |
0 |
100% |
| gpaw/test/response/test_chiks.py |
ChiKSTestingFactory.__call__ |
9 |
0 |
0 |
100% |
| gpaw/test/response/test_chiks.py |
ChiKSTestingFactory.check_parameter_self_consistency |
8 |
0 |
0 |
100% |
| gpaw/test/response/test_chiks.py |
ChiKSTestingFactory.check_reciprocity_and_inversion_symmetry |
6 |
0 |
0 |
100% |
| gpaw/test/response/test_chiks.py |
ChiKSTestingFactory.generate_cross_tabulated_kwargs |
3 |
0 |
0 |
100% |
| gpaw/test/response/test_chiks.py |
GSAdapterWithPAWCache.__init__ |
3 |
0 |
0 |
100% |
| gpaw/test/response/test_chiks.py |
GSAdapterWithPAWCache.matrix_element_paw_corrections |
4 |
0 |
0 |
100% |
| gpaw/test/response/test_chiks.py |
GSAdapterWithPAWCache._calculate_correction |
4 |
0 |
0 |
100% |
| gpaw/test/response/test_chiks.py |
GSAdapterWithPAWCache._cache_lookup |
3 |
0 |
0 |
100% |
| gpaw/test/response/test_chiks.py |
compare_pw_bases |
4 |
0 |
0 |
100% |
| gpaw/test/response/test_chiks.py |
check_reciprocity_and_inversion_symmetry |
7 |
0 |
0 |
100% |
| gpaw/test/response/test_chiks.py |
(no function) |
43 |
0 |
0 |
100% |
| gpaw/test/response/test_cobalt_sf_gssALDA.py |
test_response_cobalt_sf_gssALDA |
117 |
0 |
0 |
100% |
| gpaw/test/response/test_cobalt_sf_gssALDA.py |
(no function) |
14 |
0 |
0 |
100% |
| gpaw/test/response/test_cobalt_sf_gsspawALDA.py |
test_response_cobalt_sf_gsspawALDA |
59 |
0 |
0 |
100% |
| gpaw/test/response/test_cobalt_sf_gsspawALDA.py |
get_mode_projections |
10 |
0 |
0 |
100% |
| gpaw/test/response/test_cobalt_sf_gsspawALDA.py |
plot_enhancement |
15 |
15 |
0 |
0% |
| gpaw/test/response/test_cobalt_sf_gsspawALDA.py |
(no function) |
16 |
0 |
0 |
100% |
| gpaw/test/response/test_compare_inputs.py |
test_compare_inputs |
3 |
0 |
0 |
100% |
| gpaw/test/response/test_compare_inputs.py |
(no function) |
3 |
0 |
0 |
100% |
| gpaw/test/response/test_coulomb.py |
ExtraVacuum2DPoisson.__init__ |
1 |
0 |
0 |
100% |
| gpaw/test/response/test_coulomb.py |
ExtraVacuum2DPoisson.set_grid_descriptor |
3 |
0 |
0 |
100% |
| gpaw/test/response/test_coulomb.py |
ExtraVacuum2DPoisson.solve |
6 |
0 |
0 |
100% |
| gpaw/test/response/test_coulomb.py |
Grid.__init__ |
53 |
2 |
0 |
96% |
| gpaw/test/response/test_coulomb.py |
test_coulomb |
19 |
0 |
0 |
100% |
| gpaw/test/response/test_coulomb.py |
(no function) |
22 |
0 |
0 |
100% |
| gpaw/test/response/test_diamond_absorption.py |
test_response_diamond_absorption |
83 |
0 |
0 |
100% |
| gpaw/test/response/test_diamond_absorption.py |
(no function) |
12 |
0 |
0 |
100% |
| gpaw/test/response/test_goldstone.py |
parabolic_function |
5 |
0 |
0 |
100% |
| gpaw/test/response/test_goldstone.py |
test_find_root |
5 |
0 |
0 |
100% |
| gpaw/test/response/test_goldstone.py |
test_find_root.is_converged |
1 |
0 |
0 |
100% |
| gpaw/test/response/test_goldstone.py |
(no function) |
8 |
0 |
0 |
100% |
| gpaw/test/response/test_graphene.py |
test_response_graphene |
24 |
1 |
0 |
96% |
| gpaw/test/response/test_graphene.py |
(no function) |
12 |
0 |
0 |
100% |
| gpaw/test/response/test_graphene_EELS.py |
test_graphene_EELS |
10 |
0 |
0 |
100% |
| gpaw/test/response/test_graphene_EELS.py |
(no function) |
7 |
0 |
0 |
100% |
| gpaw/test/response/test_gs_sym_off.py |
test_symmetry_si2 |
15 |
0 |
0 |
100% |
| gpaw/test/response/test_gs_sym_off.py |
(no function) |
8 |
0 |
0 |
100% |
| gpaw/test/response/test_gw_MoS2_cut.py |
gpwfile |
14 |
0 |
0 |
100% |
| gpaw/test/response/test_gw_MoS2_cut.py |
test_response_gw_MoS2_cut |
9 |
0 |
0 |
100% |
| gpaw/test/response/test_gw_MoS2_cut.py |
(no function) |
10 |
0 |
0 |
100% |
| gpaw/test/response/test_gw_anisotropic_sic.py |
test_gw_anisotropic |
4 |
0 |
0 |
100% |
| gpaw/test/response/test_gw_anisotropic_sic.py |
(no function) |
5 |
0 |
0 |
100% |
| gpaw/test/response/test_gw_hBN_extrapolate.py |
test_response_gw_hBN_extrapolate |
14 |
0 |
0 |
100% |
| gpaw/test/response/test_gw_hBN_extrapolate.py |
(no function) |
5 |
0 |
0 |
100% |
| gpaw/test/response/test_gw_mpa.py |
test_mpa_WS |
5 |
0 |
0 |
100% |
| gpaw/test/response/test_gw_mpa.py |
(no function) |
8 |
0 |
0 |
100% |
| gpaw/test/response/test_gw_mpa_C.py |
test_diamond_mpa |
9 |
0 |
0 |
100% |
| gpaw/test/response/test_gw_mpa_C.py |
(no function) |
4 |
0 |
0 |
100% |
| gpaw/test/response/test_gw_ppa.py |
test_ff |
6 |
0 |
0 |
100% |
| gpaw/test/response/test_gw_ppa.py |
test_mpa_and_ppa |
5 |
0 |
0 |
100% |
| gpaw/test/response/test_gw_ppa.py |
(no function) |
9 |
0 |
0 |
100% |
| gpaw/test/response/test_gw_restart_file.py |
FragileG0W0.calculate_q |
6 |
0 |
0 |
100% |
| gpaw/test/response/test_gw_restart_file.py |
test_restart_file |
10 |
0 |
0 |
100% |
| gpaw/test/response/test_gw_restart_file.py |
(no function) |
8 |
0 |
0 |
100% |
| gpaw/test/response/test_gw_sg15.py |
test_gw_sg15 |
15 |
0 |
0 |
100% |
| gpaw/test/response/test_gw_sg15.py |
(no function) |
7 |
0 |
0 |
100% |
| gpaw/test/response/test_gw_si.py |
generate_si_systems |
5 |
5 |
0 |
0% |
| gpaw/test/response/test_gw_si.py |
run |
16 |
3 |
0 |
81% |
| gpaw/test/response/test_gw_si.py |
test_response_gwsi |
2 |
0 |
0 |
100% |
| gpaw/test/response/test_gw_si.py |
test_integrate_gamma_modes |
1 |
0 |
0 |
100% |
| gpaw/test/response/test_gw_si.py |
test_small_response_gwsi |
2 |
0 |
0 |
100% |
| gpaw/test/response/test_gw_si.py |
test_few_freq_response_gwsi |
6 |
1 |
0 |
83% |
| gpaw/test/response/test_gw_si.py |
(no function) |
29 |
0 |
0 |
100% |
| gpaw/test/response/test_gw_spinpol.py |
test_gw_spinpol |
11 |
1 |
0 |
91% |
| gpaw/test/response/test_gw_spinpol.py |
(no function) |
5 |
0 |
0 |
100% |
| gpaw/test/response/test_gw_too.py |
test_do_GW_too |
9 |
0 |
0 |
100% |
| gpaw/test/response/test_gw_too.py |
(no function) |
7 |
0 |
0 |
100% |
| gpaw/test/response/test_gw_vertex.py |
test_fxc_mode |
4 |
0 |
0 |
100% |
| gpaw/test/response/test_gw_vertex.py |
(no function) |
6 |
0 |
0 |
100% |
| gpaw/test/response/test_hchain_supercell.py |
get_hydrogen_chain_dielectric_function |
11 |
0 |
0 |
100% |
| gpaw/test/response/test_hchain_supercell.py |
test_hyd_chain_response |
13 |
0 |
0 |
100% |
| gpaw/test/response/test_hchain_supercell.py |
(no function) |
11 |
0 |
0 |
100% |
| gpaw/test/response/test_heisenberg.py |
test_single_site_magnons |
14 |
0 |
0 |
100% |
| gpaw/test/response/test_heisenberg.py |
test_single_site_magnons_consistency |
12 |
0 |
0 |
100% |
| gpaw/test/response/test_heisenberg.py |
test_fm_random_magnons |
18 |
0 |
0 |
100% |
| gpaw/test/response/test_heisenberg.py |
test_fm_vectorized_magnons |
29 |
0 |
0 |
100% |
| gpaw/test/response/test_heisenberg.py |
get_randomized_qpoints |
4 |
0 |
0 |
100% |
| gpaw/test/response/test_heisenberg.py |
get_rng |
2 |
0 |
0 |
100% |
| gpaw/test/response/test_heisenberg.py |
(no function) |
13 |
0 |
0 |
100% |
| gpaw/test/response/test_hubbard.py |
test_hubbard_GW |
6 |
1 |
0 |
83% |
| gpaw/test/response/test_hubbard.py |
(no function) |
7 |
0 |
0 |
100% |
| gpaw/test/response/test_iron_sf_ALDA.py |
test_response_iron_sf_ALDA |
62 |
62 |
0 |
0% |
| gpaw/test/response/test_iron_sf_ALDA.py |
(no function) |
15 |
0 |
0 |
100% |
| gpaw/test/response/test_iron_sf_gssALDA.py |
set_up_fxc_calculators |
8 |
0 |
0 |
100% |
| gpaw/test/response/test_iron_sf_gssALDA.py |
get_test_values |
15 |
1 |
0 |
93% |
| gpaw/test/response/test_iron_sf_gssALDA.py |
test_response_iron_sf_gssALDA |
47 |
1 |
0 |
98% |
| gpaw/test/response/test_iron_sf_gssALDA.py |
extract_data |
17 |
0 |
0 |
100% |
| gpaw/test/response/test_iron_sf_gssALDA.py |
plot_comparison |
16 |
16 |
0 |
0% |
| gpaw/test/response/test_iron_sf_gssALDA.py |
(no function) |
20 |
0 |
0 |
100% |
| gpaw/test/response/test_iron_sf_pawALDA.py |
test_response_iron_sf_pawALDA |
38 |
1 |
0 |
97% |
| gpaw/test/response/test_iron_sf_pawALDA.py |
extract_data |
4 |
0 |
0 |
100% |
| gpaw/test/response/test_iron_sf_pawALDA.py |
plot_inverse_enhancement |
14 |
14 |
0 |
0% |
| gpaw/test/response/test_iron_sf_pawALDA.py |
plot_magnons |
10 |
10 |
0 |
0% |
| gpaw/test/response/test_iron_sf_pawALDA.py |
(no function) |
18 |
0 |
0 |
100% |
| gpaw/test/response/test_jdos.py |
test_jdos |
21 |
0 |
0 |
100% |
| gpaw/test/response/test_jdos.py |
MyManualJDOS.__init__ |
7 |
0 |
0 |
100% |
| gpaw/test/response/test_jdos.py |
MyManualJDOS.calculate |
12 |
0 |
0 |
100% |
| gpaw/test/response/test_jdos.py |
MyManualJDOS.delta |
2 |
0 |
0 |
100% |
| gpaw/test/response/test_jdos.py |
MyManualJDOS.get_transitions |
31 |
1 |
0 |
97% |
| gpaw/test/response/test_jdos.py |
(no function) |
22 |
0 |
0 |
100% |
| gpaw/test/response/test_localft.py |
ae_1s_density |
4 |
0 |
0 |
100% |
| gpaw/test/response/test_localft.py |
ae_1s_density_plane_waves |
6 |
0 |
0 |
100% |
| gpaw/test/response/test_localft.py |
test_localft_grid_calculator |
20 |
0 |
0 |
100% |
| gpaw/test/response/test_localft.py |
test_localft_paw_engine |
44 |
0 |
0 |
100% |
| gpaw/test/response/test_localft.py |
test_Fe_bxc |
10 |
0 |
0 |
100% |
| gpaw/test/response/test_localft.py |
EmptyGSAdapter.__init__ |
1 |
0 |
0 |
100% |
| gpaw/test/response/test_localft.py |
get_inversion_pairs |
15 |
0 |
0 |
100% |
| gpaw/test/response/test_localft.py |
(no function) |
28 |
0 |
0 |
100% |
| gpaw/test/response/test_mft.py |
test_Fe_bcc |
32 |
0 |
0 |
100% |
| gpaw/test/response/test_mft.py |
test_Co_hcp |
51 |
0 |
0 |
100% |
| gpaw/test/response/test_mft.py |
test_Co_site_magnetization_sum_rule |
19 |
0 |
0 |
100% |
| gpaw/test/response/test_mft.py |
test_Co_site_zeeman_energy_sum_rule |
20 |
1 |
0 |
95% |
| gpaw/test/response/test_mft.py |
get_Co_exchange_reference |
7 |
1 |
0 |
86% |
| gpaw/test/response/test_mft.py |
test_Co_exchange |
21 |
1 |
0 |
95% |
| gpaw/test/response/test_mft.py |
test_heisenberg_distribution_over_transitions |
13 |
13 |
0 |
0% |
| gpaw/test/response/test_mft.py |
get_co_sites |
5 |
0 |
0 |
100% |
| gpaw/test/response/test_mft.py |
(no function) |
36 |
0 |
0 |
100% |
| gpaw/test/response/test_model_interaction.py |
out |
2 |
0 |
0 |
100% |
| gpaw/test/response/test_model_interaction.py |
test_w |
36 |
9 |
0 |
75% |
| gpaw/test/response/test_model_interaction.py |
check_W |
7 |
0 |
0 |
100% |
| gpaw/test/response/test_model_interaction.py |
(no function) |
18 |
0 |
0 |
100% |
| gpaw/test/response/test_mos2_polarizability.py |
test_mos2_polarizability |
10 |
0 |
0 |
100% |
| gpaw/test/response/test_mos2_polarizability.py |
identify_maxima |
3 |
0 |
0 |
100% |
| gpaw/test/response/test_mos2_polarizability.py |
plot_pol |
9 |
9 |
0 |
0% |
| gpaw/test/response/test_mos2_polarizability.py |
(no function) |
11 |
0 |
0 |
100% |
| gpaw/test/response/test_mpa_interpolation.py |
test_pole_reduction |
13 |
0 |
0 |
100% |
| gpaw/test/response/test_mpa_interpolation.py |
test_residue_fit_1pole |
4 |
0 |
0 |
100% |
| gpaw/test/response/test_mpa_interpolation.py |
test_residue_fit |
4 |
0 |
0 |
100% |
| gpaw/test/response/test_mpa_interpolation.py |
test_ppa |
25 |
1 |
0 |
96% |
| gpaw/test/response/test_mpa_interpolation.py |
test_mpa |
16 |
0 |
0 |
100% |
| gpaw/test/response/test_mpa_interpolation.py |
(no function) |
10 |
0 |
0 |
100% |
| gpaw/test/response/test_mpa_poly_C.py |
mpa_py |
10 |
0 |
0 |
100% |
| gpaw/test/response/test_mpa_poly_C.py |
test_residues |
13 |
0 |
0 |
100% |
| gpaw/test/response/test_mpa_poly_C.py |
(no function) |
7 |
0 |
0 |
100% |
| gpaw/test/response/test_mpa_sampling.py |
test_mpa_sampling_errors |
4 |
0 |
0 |
100% |
| gpaw/test/response/test_mpa_sampling.py |
test_mpa_sampling_1pole |
4 |
0 |
0 |
100% |
| gpaw/test/response/test_mpa_sampling.py |
test_mpa_sampling_2poles |
6 |
0 |
0 |
100% |
| gpaw/test/response/test_mpa_sampling.py |
test_mpa_sampling_multiple_poles |
8 |
0 |
0 |
100% |
| gpaw/test/response/test_mpa_sampling.py |
(no function) |
10 |
0 |
0 |
100% |
| gpaw/test/response/test_mpa_vectorization.py |
test_residues |
20 |
0 |
0 |
100% |
| gpaw/test/response/test_mpa_vectorization.py |
test_poles |
28 |
0 |
0 |
100% |
| gpaw/test/response/test_mpa_vectorization.py |
(no function) |
5 |
0 |
0 |
100% |
| gpaw/test/response/test_na_plasmon.py |
test_response_na_plasmon |
63 |
2 |
0 |
97% |
| gpaw/test/response/test_na_plasmon.py |
(no function) |
12 |
0 |
0 |
100% |
| gpaw/test/response/test_na_plasmons.py |
test_response_na_plasmons |
15 |
15 |
0 |
0% |
| gpaw/test/response/test_na_plasmons.py |
(no function) |
11 |
0 |
0 |
100% |
| gpaw/test/response/test_na_plasmons_tetrahedron.py |
test_response_na_plasmons_tetrahedron |
26 |
26 |
0 |
0% |
| gpaw/test/response/test_na_plasmons_tetrahedron.py |
(no function) |
12 |
0 |
0 |
100% |
| gpaw/test/response/test_nicl2_pair_potential.py |
test_nicl2_pair_potential |
25 |
2 |
0 |
92% |
| gpaw/test/response/test_nicl2_pair_potential.py |
(no function) |
12 |
0 |
0 |
100% |
| gpaw/test/response/test_nicl2_sf_gssALDA.py |
test_nicl2_magnetic_response |
32 |
32 |
0 |
0% |
| gpaw/test/response/test_nicl2_sf_gssALDA.py |
check_magnons |
15 |
15 |
0 |
0% |
| gpaw/test/response/test_nicl2_sf_gssALDA.py |
(no function) |
18 |
0 |
0 |
100% |
| gpaw/test/response/test_parallel_kptpair_extraction.py |
test_parallel_extract_kptdata |
30 |
30 |
0 |
0% |
| gpaw/test/response/test_parallel_kptpair_extraction.py |
compare_kptpairs |
9 |
9 |
0 |
0% |
| gpaw/test/response/test_parallel_kptpair_extraction.py |
compare_ikpts |
4 |
4 |
0 |
0% |
| gpaw/test/response/test_parallel_kptpair_extraction.py |
initialize_extractor |
1 |
0 |
0 |
100% |
| gpaw/test/response/test_parallel_kptpair_extraction.py |
initialize_integral |
2 |
0 |
0 |
100% |
| gpaw/test/response/test_parallel_kptpair_extraction.py |
initialize_transitions |
2 |
0 |
0 |
100% |
| gpaw/test/response/test_parallel_kptpair_extraction.py |
(no function) |
23 |
0 |
0 |
100% |
| gpaw/test/response/test_parallelization.py |
test_blocks1d_collect |
12 |
1 |
0 |
92% |
| gpaw/test/response/test_parallelization.py |
(no function) |
6 |
0 |
0 |
100% |
| gpaw/test/response/test_paw.py |
setups |
6 |
0 |
0 |
100% |
| gpaw/test/response/test_paw.py |
test_paw_corrections |
7 |
0 |
0 |
100% |
| gpaw/test/response/test_paw.py |
test_paw_correction_consistency |
12 |
0 |
0 |
100% |
| gpaw/test/response/test_paw.py |
test_site_paw_correction_consistency |
13 |
0 |
0 |
100% |
| gpaw/test/response/test_paw.py |
(no function) |
23 |
0 |
0 |
100% |
| gpaw/test/response/test_pdens_tool.py |
test_response_pdens_tool |
42 |
0 |
0 |
100% |
| gpaw/test/response/test_pdens_tool.py |
(no function) |
5 |
0 |
0 |
100% |
| gpaw/test/response/test_qeh.py |
dielectric |
5 |
5 |
0 |
0% |
| gpaw/test/response/test_qeh.py |
test_basics |
21 |
20 |
0 |
5% |
| gpaw/test/response/test_qeh.py |
test_qeh_parallel |
21 |
21 |
0 |
0% |
| gpaw/test/response/test_qeh.py |
(no function) |
15 |
0 |
0 |
100% |
| gpaw/test/response/test_response_band_cutoff.py |
test_response_band_cutoff |
11 |
1 |
0 |
91% |
| gpaw/test/response/test_response_band_cutoff.py |
get_nbands_cutoff_list |
9 |
0 |
0 |
100% |
| gpaw/test/response/test_response_band_cutoff.py |
(no function) |
8 |
0 |
0 |
100% |
| gpaw/test/response/test_silicon_chi.py |
test_response_silicon_chi_RPA |
46 |
0 |
0 |
100% |
| gpaw/test/response/test_silicon_chi.py |
(no function) |
18 |
0 |
0 |
100% |
| gpaw/test/response/test_site_data.py |
test_Fe_site_magnetization |
29 |
0 |
0 |
100% |
| gpaw/test/response/test_site_data.py |
test_Co_site_data |
39 |
0 |
0 |
100% |
| gpaw/test/response/test_site_data.py |
test_valid_site_radii_symmetry |
19 |
0 |
0 |
100% |
| gpaw/test/response/test_site_data.py |
DummyAdapter.__init__ |
4 |
0 |
0 |
100% |
| gpaw/test/response/test_site_data.py |
(no function) |
17 |
0 |
0 |
100% |
| gpaw/test/response/test_site_kernels.py |
test_spherical_kernel |
12 |
0 |
0 |
100% |
| gpaw/test/response/test_site_kernels.py |
test_cylindrical_kernel |
41 |
0 |
0 |
100% |
| gpaw/test/response/test_site_kernels.py |
test_parallelepipedic_kernel |
27 |
0 |
0 |
100% |
| gpaw/test/response/test_site_kernels.py |
test_Co_hcp_site_kernels |
168 |
0 |
0 |
100% |
| gpaw/test/response/test_site_kernels.py |
get_pw_descriptor |
5 |
0 |
0 |
100% |
| gpaw/test/response/test_site_kernels.py |
(no function) |
17 |
0 |
0 |
100% |
| gpaw/test/response/test_symmetry.py |
test_qsymmetries |
21 |
1 |
0 |
95% |
| gpaw/test/response/test_symmetry.py |
(no function) |
8 |
0 |
0 |
100% |
| gpaw/test/response/test_tetra_point_smoothing.py |
test_point_tetra_match |
31 |
0 |
0 |
100% |
| gpaw/test/response/test_tetra_point_smoothing.py |
(no function) |
13 |
0 |
0 |
100% |
| gpaw/test/response/test_two-aluminum_chi_RPA.py |
test_response_two_aluminum_chi_RPA |
41 |
0 |
0 |
100% |
| gpaw/test/response/test_two-aluminum_chi_RPA.py |
calculate_chi |
12 |
1 |
0 |
92% |
| gpaw/test/response/test_two-aluminum_chi_RPA.py |
(no function) |
16 |
0 |
0 |
100% |
| gpaw/test/response/test_two_phi_integrals.py |
test_two_phi_integrals |
6 |
0 |
0 |
100% |
| gpaw/test/response/test_two_phi_integrals.py |
(no function) |
7 |
0 |
0 |
100% |
| gpaw/test/response/test_unit_sphere_area.py |
MyIntegrand.matrix_element |
1 |
0 |
0 |
100% |
| gpaw/test/response/test_unit_sphere_area.py |
MyIntegrand.eigenvalues |
1 |
0 |
0 |
100% |
| gpaw/test/response/test_unit_sphere_area.py |
test_tetrahedron_integrator |
9 |
0 |
0 |
100% |
| gpaw/test/response/test_unit_sphere_area.py |
(no function) |
13 |
0 |
0 |
100% |
| gpaw/test/response/test_wgg_factorization.py |
test_parallelizations |
4 |
0 |
0 |
100% |
| gpaw/test/response/test_wgg_factorization.py |
(no function) |
2 |
0 |
0 |
100% |
| gpaw/test/ri/test_c.py |
test_diamond |
33 |
0 |
0 |
100% |
| gpaw/test/ri/test_c.py |
(no function) |
7 |
0 |
0 |
100% |
| gpaw/test/ri/test_spherical_hse_kernel.py |
phiold |
18 |
1 |
0 |
94% |
| gpaw/test/ri/test_spherical_hse_kernel.py |
phi_lebedev |
10 |
0 |
0 |
100% |
| gpaw/test/ri/test_spherical_hse_kernel.py |
test_old_vs_new_spherical_kernel |
8 |
0 |
0 |
100% |
| gpaw/test/ri/test_spherical_hse_kernel.py |
test_wrt_lebedev_integrated_kernel |
29 |
15 |
0 |
48% |
| gpaw/test/ri/test_spherical_hse_kernel.py |
(no function) |
14 |
1 |
0 |
93% |
| gpaw/test/rpa/test_rpa_energy_N2.py |
test_rpa_rpa_energy_N2 |
20 |
0 |
0 |
100% |
| gpaw/test/rpa/test_rpa_energy_N2.py |
(no function) |
9 |
0 |
0 |
100% |
| gpaw/test/rpa/test_rpa_energy_Na.py |
test_rpa_rpa_energy_Na |
5 |
0 |
0 |
100% |
| gpaw/test/rpa/test_rpa_energy_Na.py |
(no function) |
7 |
0 |
0 |
100% |
| gpaw/test/rpa/test_rpa_energy_Ni.py |
test_rpa_rpa_energy_Ni |
12 |
0 |
0 |
100% |
| gpaw/test/rpa/test_rpa_energy_Ni.py |
(no function) |
9 |
0 |
0 |
100% |
| gpaw/test/rpa/test_rpa_energy_Si.py |
test_rpa_energy_si |
9 |
0 |
0 |
100% |
| gpaw/test/rpa/test_rpa_energy_Si.py |
(no function) |
8 |
0 |
0 |
100% |
| gpaw/test/rsf_yukawa/test_lrtddft_short.py |
test_rsf_yukawa_lrtddft_short |
25 |
2 |
0 |
92% |
| gpaw/test/rsf_yukawa/test_lrtddft_short.py |
test_rsf_yukawa_lrtddft_short.get_paw |
2 |
0 |
0 |
100% |
| gpaw/test/rsf_yukawa/test_lrtddft_short.py |
(no function) |
12 |
0 |
0 |
100% |
| gpaw/test/rsf_yukawa/test_rsf_general.py |
test_rsf_yukawa_rsf_general |
26 |
2 |
0 |
92% |
| gpaw/test/rsf_yukawa/test_rsf_general.py |
(no function) |
11 |
0 |
0 |
100% |
| gpaw/test/rsf_yukawa/test_rsf_ivo_sing_mg.py |
test_rsf_yukawa_rsf_ivo_sing_mg |
28 |
2 |
0 |
93% |
| gpaw/test/rsf_yukawa/test_rsf_ivo_sing_mg.py |
(no function) |
13 |
0 |
0 |
100% |
| gpaw/test/setups/test_derivative_integrals.py |
rlYlm |
4 |
0 |
0 |
100% |
| gpaw/test/setups/test_derivative_integrals.py |
DummySetup.__init__ |
3 |
0 |
0 |
100% |
| gpaw/test/setups/test_derivative_integrals.py |
get_magnetic_integrals_alt |
26 |
0 |
0 |
100% |
| gpaw/test/setups/test_derivative_integrals.py |
get_magnetic_integrals_alt.YL_to_Ylm |
19 |
1 |
0 |
95% |
| gpaw/test/setups/test_derivative_integrals.py |
get_magnetic_integrals_alt.YL1_Lz_YL2 |
9 |
0 |
0 |
100% |
| gpaw/test/setups/test_derivative_integrals.py |
get_magnetic_integrals_alt.YL1_Lp_YL2 |
11 |
0 |
0 |
100% |
| gpaw/test/setups/test_derivative_integrals.py |
get_magnetic_integrals_alt.YL1_Lm_YL2 |
11 |
0 |
0 |
100% |
| gpaw/test/setups/test_derivative_integrals.py |
get_magnetic_integrals_alt.YL1_Lx_YL2 |
1 |
0 |
0 |
100% |
| gpaw/test/setups/test_derivative_integrals.py |
get_magnetic_integrals_alt.YL1_Ly_YL2 |
1 |
0 |
0 |
100% |
| gpaw/test/setups/test_derivative_integrals.py |
calculate_integrals_on_regular_grid |
27 |
0 |
0 |
100% |
| gpaw/test/setups/test_derivative_integrals.py |
calculate_integrals_on_regular_grid.nabla |
1 |
0 |
0 |
100% |
| gpaw/test/setups/test_derivative_integrals.py |
calculate_integrals_on_regular_grid.rxnabla |
1 |
0 |
0 |
100% |
| gpaw/test/setups/test_derivative_integrals.py |
calculate_integrals_on_radial_grid |
13 |
0 |
0 |
100% |
| gpaw/test/setups/test_derivative_integrals.py |
lmax |
1 |
0 |
0 |
100% |
| gpaw/test/setups/test_derivative_integrals.py |
radial_function |
1 |
0 |
0 |
100% |
| gpaw/test/setups/test_derivative_integrals.py |
integrals_on_regular_grid |
2 |
0 |
0 |
100% |
| gpaw/test/setups/test_derivative_integrals.py |
integrals_on_radial_grid |
1 |
0 |
0 |
100% |
| gpaw/test/setups/test_derivative_integrals.py |
test_integrals |
16 |
0 |
0 |
100% |
| gpaw/test/setups/test_derivative_integrals.py |
test_phit_integrals |
4 |
0 |
0 |
100% |
| gpaw/test/setups/test_derivative_integrals.py |
test_skew_symmetry |
5 |
0 |
0 |
100% |
| gpaw/test/setups/test_derivative_integrals.py |
test_rxnabla_vs_alt_implementation |
5 |
0 |
0 |
100% |
| gpaw/test/setups/test_derivative_integrals.py |
test_lmax_zero |
3 |
0 |
0 |
100% |
| gpaw/test/setups/test_derivative_integrals.py |
test_skew_symmetry_real_setup |
6 |
0 |
0 |
100% |
| gpaw/test/setups/test_derivative_integrals.py |
(no function) |
34 |
0 |
0 |
100% |
| gpaw/test/setups/test_generator2.py |
test_lithium |
6 |
0 |
0 |
100% |
| gpaw/test/setups/test_generator2.py |
test_pseudo_h |
13 |
0 |
0 |
100% |
| gpaw/test/setups/test_generator2.py |
(no function) |
9 |
0 |
0 |
100% |
| gpaw/test/setups/test_setup_basis_spec.py |
test_setup_basis_spec |
5 |
0 |
0 |
100% |
| gpaw/test/setups/test_setup_basis_spec.py |
test_basis_something_something |
7 |
0 |
0 |
100% |
| gpaw/test/setups/test_setup_basis_spec.py |
(no function) |
8 |
0 |
0 |
100% |
| gpaw/test/setups/test_setup_data.py |
test_parsing_core_hole_state |
7 |
0 |
0 |
100% |
| gpaw/test/setups/test_setup_data.py |
(no function) |
6 |
0 |
0 |
100% |
| gpaw/test/sic/test_fdsic.py |
test_fdsic |
29 |
5 |
0 |
83% |
| gpaw/test/sic/test_fdsic.py |
(no function) |
9 |
0 |
0 |
100% |
| gpaw/test/sic/test_gmf_lcaosic.py |
test_gmf_lcaosic |
15 |
5 |
0 |
67% |
| gpaw/test/sic/test_gmf_lcaosic.py |
(no function) |
6 |
0 |
0 |
100% |
| gpaw/test/sic/test_lcaosic.py |
test_lcaosic |
23 |
5 |
0 |
78% |
| gpaw/test/sic/test_lcaosic.py |
(no function) |
6 |
0 |
0 |
100% |
| gpaw/test/sic/test_mom_lcaosic.py |
test_mom_lcaosic |
17 |
5 |
0 |
71% |
| gpaw/test/sic/test_mom_lcaosic.py |
(no function) |
6 |
0 |
0 |
100% |
| gpaw/test/sic/test_mom_pwsic.py |
test_mom_pwsic |
15 |
5 |
0 |
67% |
| gpaw/test/sic/test_mom_pwsic.py |
(no function) |
6 |
0 |
0 |
100% |
| gpaw/test/sic/test_nscfsic.py |
test_sic_nscfsic |
16 |
0 |
0 |
100% |
| gpaw/test/sic/test_nscfsic.py |
(no function) |
9 |
0 |
0 |
100% |
| gpaw/test/sic/test_pwsic.py |
test_pwsic |
25 |
5 |
0 |
80% |
| gpaw/test/sic/test_pwsic.py |
(no function) |
8 |
0 |
0 |
100% |
| gpaw/test/sic/test_pz_localization_pw.py |
test_pz_localization_pw |
5 |
0 |
0 |
100% |
| gpaw/test/sic/test_pz_localization_pw.py |
(no function) |
5 |
0 |
0 |
100% |
| gpaw/test/sic/test_scfsic_h2.py |
test_sic_scfsic_h2 |
10 |
0 |
0 |
100% |
| gpaw/test/sic/test_scfsic_h2.py |
(no function) |
5 |
0 |
0 |
100% |
| gpaw/test/sjm/base_calc.py |
calculator |
1 |
1 |
0 |
0% |
| gpaw/test/sjm/base_calc.py |
(no function) |
7 |
0 |
0 |
100% |
| gpaw/test/sjm/conftest.py |
atoms |
6 |
5 |
0 |
17% |
| gpaw/test/sjm/conftest.py |
(no function) |
5 |
0 |
0 |
100% |
| gpaw/test/sjm/test_cavitylike.py |
test_cavitylike |
6 |
6 |
0 |
0% |
| gpaw/test/sjm/test_cavitylike.py |
(no function) |
3 |
0 |
0 |
100% |
| gpaw/test/sjm/test_change_potential.py |
test_change_potential |
13 |
13 |
0 |
0% |
| gpaw/test/sjm/test_change_potential.py |
(no function) |
4 |
0 |
0 |
100% |
| gpaw/test/sjm/test_constpot.py |
test_constpot |
5 |
5 |
0 |
0% |
| gpaw/test/sjm/test_constpot.py |
(no function) |
3 |
0 |
0 |
100% |
| gpaw/test/sjm/test_gpw.py |
test_gpw |
8 |
8 |
0 |
0% |
| gpaw/test/sjm/test_gpw.py |
(no function) |
5 |
0 |
0 |
100% |
| gpaw/test/sjm/test_keys.py |
test_keys |
3 |
3 |
0 |
0% |
| gpaw/test/sjm/test_keys.py |
(no function) |
5 |
0 |
0 |
100% |
| gpaw/test/sjm/test_scf.py |
test_scf |
2 |
2 |
0 |
0% |
| gpaw/test/sjm/test_scf.py |
(no function) |
4 |
0 |
0 |
100% |
| gpaw/test/solvation/test_adm12.py |
test_solvation_adm12 |
17 |
3 |
0 |
82% |
| gpaw/test/solvation/test_adm12.py |
(no function) |
18 |
0 |
0 |
100% |
| gpaw/test/solvation/test_cip.py |
test_cip |
24 |
0 |
0 |
100% |
| gpaw/test/solvation/test_cip.py |
(no function) |
9 |
0 |
0 |
100% |
| gpaw/test/solvation/test_forces.py |
test_solvation_forces |
51 |
24 |
0 |
53% |
| gpaw/test/solvation/test_forces.py |
test_solvation_forces.vac |
1 |
1 |
0 |
0% |
| gpaw/test/solvation/test_forces.py |
test_solvation_forces.check |
9 |
0 |
0 |
100% |
| gpaw/test/solvation/test_forces.py |
(no function) |
16 |
0 |
0 |
100% |
| gpaw/test/solvation/test_forces_symmetry.py |
test_solvation_forces_symmetry |
12 |
0 |
0 |
100% |
| gpaw/test/solvation/test_forces_symmetry.py |
(no function) |
12 |
0 |
0 |
100% |
| gpaw/test/solvation/test_lrtddft.py |
test_solvation_lrtddft |
18 |
0 |
0 |
100% |
| gpaw/test/solvation/test_lrtddft.py |
(no function) |
8 |
0 |
0 |
100% |
| gpaw/test/solvation/test_modes.py |
test_h |
23 |
6 |
0 |
74% |
| gpaw/test/solvation/test_modes.py |
test_h.hook |
1 |
1 |
0 |
0% |
| gpaw/test/solvation/test_modes.py |
NoCavity.set_grid_descriptor |
1 |
0 |
0 |
100% |
| gpaw/test/solvation/test_modes.py |
NoCavity.allocate |
1 |
0 |
0 |
100% |
| gpaw/test/solvation/test_modes.py |
NoCavity.update_atoms |
1 |
0 |
0 |
100% |
| gpaw/test/solvation/test_modes.py |
NoCavity.update |
1 |
0 |
0 |
100% |
| gpaw/test/solvation/test_modes.py |
NoCavity.communicate_vol_surf |
1 |
0 |
0 |
100% |
| gpaw/test/solvation/test_modes.py |
NoCavity.summary |
1 |
0 |
0 |
100% |
| gpaw/test/solvation/test_modes.py |
NoCavity.todict |
1 |
1 |
0 |
0% |
| gpaw/test/solvation/test_modes.py |
Vacuum.set_grid_descriptor |
2 |
0 |
0 |
100% |
| gpaw/test/solvation/test_modes.py |
Vacuum.allocate |
1 |
0 |
0 |
100% |
| gpaw/test/solvation/test_modes.py |
Vacuum.todict |
1 |
1 |
0 |
0% |
| gpaw/test/solvation/test_modes.py |
(no function) |
25 |
2 |
0 |
92% |
| gpaw/test/solvation/test_nan_radius.py |
test_solvation_nan_radius |
7 |
0 |
0 |
100% |
| gpaw/test/solvation/test_nan_radius.py |
(no function) |
5 |
0 |
0 |
100% |
| gpaw/test/solvation/test_overlap.py |
test_solvation_overlap |
13 |
13 |
0 |
0% |
| gpaw/test/solvation/test_overlap.py |
(no function) |
10 |
0 |
0 |
100% |
| gpaw/test/solvation/test_pbc.py |
test_solvation_pbc |
9 |
0 |
0 |
100% |
| gpaw/test/solvation/test_pbc.py |
(no function) |
15 |
0 |
0 |
100% |
| gpaw/test/solvation/test_pbc_pos_repeat.py |
test_solvation_pbc_pos_repeat |
28 |
0 |
0 |
100% |
| gpaw/test/solvation/test_pbc_pos_repeat.py |
test_solvation_pbc_pos_repeat.get_nrepeats |
1 |
0 |
0 |
100% |
| gpaw/test/solvation/test_pbc_pos_repeat.py |
test_solvation_pbc_pos_repeat.check_valid_repeat |
7 |
0 |
0 |
100% |
| gpaw/test/solvation/test_pbc_pos_repeat.py |
test_solvation_pbc_pos_repeat.check |
7 |
0 |
0 |
100% |
| gpaw/test/solvation/test_pbc_pos_repeat.py |
(no function) |
5 |
0 |
0 |
100% |
| gpaw/test/solvation/test_poisson.py |
gradient |
4 |
0 |
0 |
100% |
| gpaw/test/solvation/test_poisson.py |
make_gd |
4 |
0 |
0 |
100% |
| gpaw/test/solvation/test_poisson.py |
MockDielectric.__init__ |
2 |
0 |
0 |
100% |
| gpaw/test/solvation/test_poisson.py |
MockDielectric.update |
3 |
0 |
0 |
100% |
| gpaw/test/solvation/test_poisson.py |
test_solvation_poisson |
68 |
0 |
0 |
100% |
| gpaw/test/solvation/test_poisson.py |
test_solvation_poisson.solve |
13 |
0 |
0 |
100% |
| gpaw/test/solvation/test_poisson.py |
(no function) |
19 |
0 |
0 |
100% |
| gpaw/test/solvation/test_pw_poisson.py |
generate_grid |
4 |
0 |
0 |
100% |
| gpaw/test/solvation/test_pw_poisson.py |
generate_dipole_charges |
22 |
0 |
0 |
100% |
| gpaw/test/solvation/test_pw_poisson.py |
generate_quadrupole_charges |
26 |
0 |
0 |
100% |
| gpaw/test/solvation/test_pw_poisson.py |
spherical_dielectric_function |
30 |
0 |
0 |
100% |
| gpaw/test/solvation/test_pw_poisson.py |
test_cg_poisson_solver_constant_dielectric |
34 |
0 |
0 |
100% |
| gpaw/test/solvation/test_pw_poisson.py |
test_cg_poisson_solver_constant_dielectric.MockDielectric.__init__ |
1 |
0 |
0 |
100% |
| gpaw/test/solvation/test_pw_poisson.py |
test_cg_poisson_solver_variable_dielectric |
17 |
0 |
0 |
100% |
| gpaw/test/solvation/test_pw_poisson.py |
test_cg_poisson_solver_variable_dielectric.MockDielectric.__init__ |
1 |
0 |
0 |
100% |
| gpaw/test/solvation/test_pw_poisson.py |
(no function) |
18 |
0 |
0 |
100% |
| gpaw/test/solvation/test_sfgcm06.py |
test_solvation_sfgcm06 |
22 |
3 |
0 |
86% |
| gpaw/test/solvation/test_sfgcm06.py |
(no function) |
7 |
0 |
0 |
100% |
| gpaw/test/solvation/test_sjm.py |
test_sjm |
35 |
8 |
0 |
77% |
| gpaw/test/solvation/test_sjm.py |
(no function) |
14 |
2 |
0 |
86% |
| gpaw/test/solvation/test_sjm_fdt.py |
test_sjm_fdt_true |
24 |
24 |
0 |
0% |
| gpaw/test/solvation/test_sjm_fdt.py |
(no function) |
11 |
0 |
0 |
100% |
| gpaw/test/solvation/test_solvation_api.py |
test_solvation_api |
31 |
31 |
0 |
0% |
| gpaw/test/solvation/test_solvation_api.py |
test_solvation_api.print_results |
6 |
6 |
0 |
0% |
| gpaw/test/solvation/test_solvation_api.py |
test_solvation_api.get_base_kwargs |
1 |
1 |
0 |
0% |
| gpaw/test/solvation/test_solvation_api.py |
(no function) |
8 |
0 |
0 |
100% |
| gpaw/test/solvation/test_spinpol.py |
test_solvation_spinpol |
21 |
0 |
0 |
100% |
| gpaw/test/solvation/test_spinpol.py |
(no function) |
7 |
0 |
0 |
100% |
| gpaw/test/solvation/test_sss09.py |
test_solvation_sss09 |
23 |
3 |
0 |
87% |
| gpaw/test/solvation/test_sss09.py |
(no function) |
7 |
0 |
0 |
100% |
| gpaw/test/solvation/test_swap_atoms.py |
test_solvation_swap_atoms |
37 |
0 |
0 |
100% |
| gpaw/test/solvation/test_swap_atoms.py |
test_solvation_swap_atoms.env |
3 |
1 |
0 |
67% |
| gpaw/test/solvation/test_swap_atoms.py |
(no function) |
5 |
0 |
0 |
100% |
| gpaw/test/solvation/test_vacuum.py |
test_solvation_vacuum |
28 |
6 |
0 |
79% |
| gpaw/test/solvation/test_vacuum.py |
(no function) |
7 |
0 |
0 |
100% |
| gpaw/test/solvation/test_water_water.py |
parameters |
2 |
0 |
0 |
100% |
| gpaw/test/solvation/test_water_water.py |
H2O |
8 |
0 |
0 |
100% |
| gpaw/test/solvation/test_water_water.py |
test_solvation_water_water |
17 |
4 |
0 |
76% |
| gpaw/test/solvation/test_water_water.py |
test_read |
8 |
0 |
0 |
100% |
| gpaw/test/solvation/test_water_water.py |
(no function) |
13 |
0 |
0 |
100% |
| gpaw/test/solvation/test_water_water_etdm_lcao.py |
test_solvation_water_water_etdm_lcao |
19 |
3 |
0 |
84% |
| gpaw/test/solvation/test_water_water_etdm_lcao.py |
(no function) |
9 |
0 |
0 |
100% |
| gpaw/test/sphere/test_integrate.py |
generate_analytical_integrals |
7 |
0 |
0 |
100% |
| gpaw/test/sphere/test_integrate.py |
generate_analytical_integrals.linear |
3 |
0 |
0 |
100% |
| gpaw/test/sphere/test_integrate.py |
generate_analytical_integrals.integrate_linear |
3 |
0 |
0 |
100% |
| gpaw/test/sphere/test_integrate.py |
generate_analytical_integrals.gaussian |
1 |
0 |
0 |
100% |
| gpaw/test/sphere/test_integrate.py |
generate_analytical_integrals.integrate_gaussian |
2 |
0 |
0 |
100% |
| gpaw/test/sphere/test_integrate.py |
generate_analytical_integrals.lorentzian |
1 |
0 |
0 |
100% |
| gpaw/test/sphere/test_integrate.py |
generate_analytical_integrals.integrate_lorentzian |
1 |
0 |
0 |
100% |
| gpaw/test/sphere/test_integrate.py |
test_radial_trapz |
8 |
0 |
0 |
100% |
| gpaw/test/sphere/test_integrate.py |
test_smooth_truncation_function |
6 |
0 |
0 |
100% |
| gpaw/test/sphere/test_integrate.py |
test_fe_augmentation_sphere |
24 |
0 |
0 |
100% |
| gpaw/test/sphere/test_integrate.py |
test_fe_periodic_truncation_function |
18 |
0 |
0 |
100% |
| gpaw/test/sphere/test_integrate.py |
test_co_spherical_truncation_function_collection |
21 |
0 |
0 |
100% |
| gpaw/test/sphere/test_integrate.py |
(no function) |
13 |
0 |
0 |
100% |
| gpaw/test/sphere/test_rshe.py |
generate_combinations |
5 |
0 |
0 |
100% |
| gpaw/test/sphere/test_rshe.py |
test_rshe |
19 |
0 |
0 |
100% |
| gpaw/test/sphere/test_rshe.py |
(no function) |
9 |
0 |
0 |
100% |
| gpaw/test/spin/test_spinFe3plus.py |
test_spin_spinFe3plus |
13 |
0 |
0 |
100% |
| gpaw/test/spin/test_spinFe3plus.py |
(no function) |
4 |
0 |
0 |
100% |
| gpaw/test/spin/test_spin_contamination.py |
test_spin_spin_contamination_B |
10 |
2 |
0 |
80% |
| gpaw/test/spin/test_spin_contamination.py |
test_spin_spin_contamination_H2 |
11 |
2 |
0 |
82% |
| gpaw/test/spin/test_spin_contamination.py |
(no function) |
8 |
0 |
0 |
100% |
| gpaw/test/spin/test_spinpol.py |
test_spin_spinpol |
14 |
0 |
0 |
100% |
| gpaw/test/spin/test_spinpol.py |
(no function) |
4 |
0 |
0 |
100% |
| gpaw/test/spinspiral/test_h_chain.py |
test_afm_h_chain |
13 |
0 |
0 |
100% |
| gpaw/test/spinspiral/test_h_chain.py |
(no function) |
3 |
0 |
0 |
100% |
| gpaw/test/symmetry/test_check.py |
test_symmetry_check |
5 |
0 |
0 |
100% |
| gpaw/test/symmetry/test_check.py |
(no function) |
3 |
0 |
0 |
100% |
| gpaw/test/symmetry/test_fractional_translation_grid_compatibility.py |
test_symmetrize_fractional_translations |
11 |
0 |
0 |
100% |
| gpaw/test/symmetry/test_fractional_translation_grid_compatibility.py |
(no function) |
4 |
0 |
0 |
100% |
| gpaw/test/symmetry/test_fractional_translations.py |
test_symmetry_fractional_translations |
16 |
0 |
0 |
100% |
| gpaw/test/symmetry/test_fractional_translations.py |
(no function) |
5 |
0 |
0 |
100% |
| gpaw/test/symmetry/test_fractional_translations_big.py |
test_symmetry_fractional_translations_big |
16 |
0 |
0 |
100% |
| gpaw/test/symmetry/test_fractional_translations_big.py |
(no function) |
5 |
0 |
0 |
100% |
| gpaw/test/symmetry/test_fractional_translations_med.py |
test_symmetry_fractional_translations_med |
16 |
0 |
0 |
100% |
| gpaw/test/symmetry/test_fractional_translations_med.py |
(no function) |
5 |
0 |
0 |
100% |
| gpaw/test/symmetry/test_kpoint_mapping.py |
test_symmetry_kpoint_mapping |
19 |
0 |
0 |
100% |
| gpaw/test/symmetry/test_kpoint_mapping.py |
test_symmetry_kpoint_mapping.test_mapping |
7 |
0 |
0 |
100% |
| gpaw/test/symmetry/test_kpoint_mapping.py |
(no function) |
7 |
0 |
0 |
100% |
| gpaw/test/symmetry/test_symmetrize_wGG.py |
test_GG_shuffle |
19 |
0 |
0 |
100% |
| gpaw/test/symmetry/test_symmetrize_wGG.py |
(no function) |
4 |
0 |
0 |
100% |
| gpaw/test/symmetry/test_symmetry.py |
test_si |
29 |
0 |
0 |
100% |
| gpaw/test/symmetry/test_symmetry.py |
test_h4 |
11 |
0 |
0 |
100% |
| gpaw/test/symmetry/test_symmetry.py |
test_2 |
16 |
0 |
0 |
100% |
| gpaw/test/symmetry/test_symmetry.py |
test_new |
5 |
0 |
0 |
100% |
| gpaw/test/symmetry/test_symmetry.py |
(no function) |
8 |
0 |
0 |
100% |
| gpaw/test/symmetry/test_symmetry_ft.py |
test_symmetry_symmetry_ft |
66 |
0 |
0 |
100% |
| gpaw/test/symmetry/test_symmetry_ft.py |
(no function) |
5 |
0 |
0 |
100% |
| gpaw/test/symmetry/test_usesymm.py |
test_symmetry_usesymm |
11 |
0 |
0 |
100% |
| gpaw/test/symmetry/test_usesymm.py |
test_symmetry_usesymm.energy |
2 |
0 |
0 |
100% |
| gpaw/test/symmetry/test_usesymm.py |
(no function) |
3 |
0 |
0 |
100% |
| gpaw/test/symmetry/test_usesymm2.py |
test_symmetry_usesymm2 |
13 |
0 |
0 |
100% |
| gpaw/test/symmetry/test_usesymm2.py |
(no function) |
4 |
0 |
0 |
100% |
| gpaw/test/tddft/test_be_nltd_ip.py |
test_tddft_be_nltd_ip |
10 |
0 |
0 |
100% |
| gpaw/test/tddft/test_be_nltd_ip.py |
(no function) |
6 |
0 |
0 |
100% |
| gpaw/test/tddft/test_ehrenfest_nacl.py |
test_tddft_ehrenfest_nacl |
12 |
0 |
0 |
100% |
| gpaw/test/tddft/test_ehrenfest_nacl.py |
(no function) |
4 |
0 |
0 |
100% |
| gpaw/test/tddft/test_fxc_linearize.py |
test_tddft_fxc_linearize |
12 |
0 |
0 |
100% |
| gpaw/test/tddft/test_fxc_linearize.py |
(no function) |
7 |
0 |
0 |
100% |
| gpaw/test/tddft/test_molecule.py |
calculate_time_propagation |
12 |
0 |
0 |
100% |
| gpaw/test/tddft/test_molecule.py |
check_dm |
6 |
0 |
0 |
100% |
| gpaw/test/tddft/test_molecule.py |
ground_state |
6 |
0 |
0 |
100% |
| gpaw/test/tddft/test_molecule.py |
time_propagation_reference |
1 |
0 |
0 |
100% |
| gpaw/test/tddft/test_molecule.py |
test_dipole_moment_values |
8 |
0 |
0 |
100% |
| gpaw/test/tddft/test_molecule.py |
test_propagation |
11 |
3 |
0 |
73% |
| gpaw/test/tddft/test_molecule.py |
test_restart |
5 |
1 |
0 |
80% |
| gpaw/test/tddft/test_molecule.py |
(no function) |
29 |
2 |
0 |
93% |
| gpaw/test/tddft/test_td_na2.py |
test_tddft_td_na2 |
32 |
0 |
0 |
100% |
| gpaw/test/tddft/test_td_na2.py |
test_tddft_fail_with_symmetry |
2 |
0 |
0 |
100% |
| gpaw/test/tddft/test_td_na2.py |
(no function) |
6 |
0 |
0 |
100% |
| gpaw/test/test_AA_enthalpy.py |
_xc |
1 |
1 |
0 |
0% |
| gpaw/test/test_AA_enthalpy.py |
calculate |
38 |
38 |
0 |
0% |
| gpaw/test/test_AA_enthalpy.py |
test_exx_AA_enthalpy |
6 |
6 |
0 |
0% |
| gpaw/test/test_AA_enthalpy.py |
(no function) |
21 |
0 |
0 |
100% |
| gpaw/test/test_Gauss.py |
test_Gauss |
9 |
0 |
0 |
100% |
| gpaw/test/test_Gauss.py |
(no function) |
3 |
0 |
0 |
100% |
| gpaw/test/test_ae.py |
test_ae_potential |
4 |
0 |
0 |
100% |
| gpaw/test/test_ae.py |
(no function) |
3 |
0 |
0 |
100% |
| gpaw/test/test_aeatom.py |
test_aeatom |
36 |
0 |
0 |
100% |
| gpaw/test/test_aeatom.py |
(no function) |
5 |
0 |
0 |
100% |
| gpaw/test/test_aedensity.py |
test_aedensity |
21 |
0 |
0 |
100% |
| gpaw/test/test_aedensity.py |
(no function) |
4 |
0 |
0 |
100% |
| gpaw/test/test_atomic_el_pot.py |
test_atomic_el_pot |
4 |
0 |
0 |
100% |
| gpaw/test/test_atomic_el_pot.py |
(no function) |
3 |
0 |
0 |
100% |
| gpaw/test/test_atoms_mismatch.py |
test_atoms_mismatch |
26 |
14 |
0 |
46% |
| gpaw/test/test_atoms_mismatch.py |
test_atoms_mismatch.mess_up_atoms |
2 |
2 |
0 |
0% |
| gpaw/test/test_atoms_mismatch.py |
(no function) |
7 |
0 |
0 |
100% |
| gpaw/test/test_atoms_too_close.py |
test_atoms_too_close |
5 |
0 |
0 |
100% |
| gpaw/test/test_atoms_too_close.py |
(no function) |
5 |
0 |
0 |
100% |
| gpaw/test/test_berryphase.py |
test_parallel_transport_mos2 |
5 |
0 |
0 |
100% |
| gpaw/test/test_berryphase.py |
test_parallel_transport_i2sb2 |
12 |
0 |
0 |
100% |
| gpaw/test/test_berryphase.py |
load_renormalized_data |
8 |
0 |
0 |
100% |
| gpaw/test/test_berryphase.py |
test_polarization_phase |
8 |
0 |
0 |
100% |
| gpaw/test/test_berryphase.py |
test_berry_phases |
6 |
0 |
0 |
100% |
| gpaw/test/test_berryphase.py |
test_assertions |
8 |
0 |
0 |
100% |
| gpaw/test/test_berryphase.py |
(no function) |
13 |
0 |
0 |
100% |
| gpaw/test/test_borncharges.py |
test_born_charges_wf |
9 |
0 |
0 |
100% |
| gpaw/test/test_borncharges.py |
test_born_charges_symmetry |
5 |
0 |
0 |
100% |
| gpaw/test/test_borncharges.py |
test_born_charges_ionic_wf |
5 |
0 |
0 |
100% |
| gpaw/test/test_borncharges.py |
(no function) |
10 |
0 |
0 |
100% |
| gpaw/test/test_broadcast_imports.py |
test_bcast_imports_good |
3 |
0 |
0 |
100% |
| gpaw/test/test_broadcast_imports.py |
test_bcast_imports_bad |
3 |
0 |
0 |
100% |
| gpaw/test/test_broadcast_imports.py |
(no function) |
4 |
0 |
0 |
100% |
| gpaw/test/test_broydenmixer.py |
test_broydenmixer |
11 |
0 |
0 |
100% |
| gpaw/test/test_broydenmixer.py |
(no function) |
5 |
0 |
0 |
100% |
| gpaw/test/test_cluster.py |
test_CO |
22 |
0 |
0 |
100% |
| gpaw/test/test_cluster.py |
(no function) |
5 |
0 |
0 |
100% |
| gpaw/test/test_complete.py |
test_complete |
4 |
2 |
0 |
50% |
| gpaw/test/test_complete.py |
(no function) |
8 |
1 |
0 |
88% |
| gpaw/test/test_complex.py |
test_complex |
19 |
2 |
0 |
89% |
| gpaw/test/test_complex.py |
(no function) |
4 |
0 |
0 |
100% |
| gpaw/test/test_coreeig.py |
test_coreeig |
13 |
0 |
0 |
100% |
| gpaw/test/test_coreeig.py |
(no function) |
8 |
0 |
0 |
100% |
| gpaw/test/test_coulomb.py |
test_coulomb |
13 |
0 |
0 |
100% |
| gpaw/test/test_coulomb.py |
test_coulomb.test_coulomb |
21 |
4 |
0 |
81% |
| gpaw/test/test_coulomb.py |
(no function) |
9 |
0 |
0 |
100% |
| gpaw/test/test_d3_extension.py |
test_d3_extensions |
59 |
59 |
0 |
0% |
| gpaw/test/test_d3_extension.py |
test_d3_extensions.get_atoms |
6 |
6 |
0 |
0% |
| gpaw/test/test_d3_extension.py |
test_d3_extensions.D3ref |
3 |
3 |
0 |
0% |
| gpaw/test/test_d3_extension.py |
test_d3_extensions.get_calc |
3 |
3 |
0 |
0% |
| gpaw/test/test_d3_extension.py |
test_d3_stress |
41 |
41 |
0 |
0% |
| gpaw/test/test_d3_extension.py |
test_d3_stress.get_atoms |
3 |
3 |
0 |
0% |
| gpaw/test/test_d3_extension.py |
test_d3_stress.get_calc |
1 |
1 |
0 |
0% |
| gpaw/test/test_d3_extension.py |
test_d3_isolated_atom |
7 |
7 |
0 |
0% |
| gpaw/test/test_d3_extension.py |
(no function) |
13 |
0 |
0 |
100% |
| gpaw/test/test_diagonalizer_backend.py |
prepare_eigensolver_matrices |
11 |
0 |
0 |
100% |
| gpaw/test/test_diagonalizer_backend.py |
backend_problemsize_kwargs |
16 |
2 |
0 |
88% |
| gpaw/test/test_diagonalizer_backend.py |
test_diagonalizer_eigenproblem_correctness |
13 |
0 |
0 |
100% |
| gpaw/test/test_diagonalizer_backend.py |
(no function) |
11 |
0 |
0 |
100% |
| gpaw/test/test_dipole.py |
test_dipole |
41 |
2 |
0 |
95% |
| gpaw/test/test_dipole.py |
test_dipole.kw |
1 |
0 |
0 |
100% |
| gpaw/test/test_dipole.py |
test_dipole.get_avg |
4 |
0 |
0 |
100% |
| gpaw/test/test_dipole.py |
(no function) |
6 |
0 |
0 |
100% |
| gpaw/test/test_dipole_me.py |
test_dipole_me |
9 |
0 |
0 |
100% |
| gpaw/test/test_dipole_me.py |
(no function) |
4 |
0 |
0 |
100% |
| gpaw/test/test_dipole_new.py |
test_ug_moment |
9 |
1 |
0 |
89% |
| gpaw/test/test_dipole_new.py |
test_dipole |
3 |
0 |
0 |
100% |
| gpaw/test/test_dipole_new.py |
(no function) |
7 |
0 |
0 |
100% |
| gpaw/test/test_ds_beta.py |
test_ds_beta |
32 |
0 |
0 |
100% |
| gpaw/test/test_ds_beta.py |
(no function) |
8 |
0 |
0 |
100% |
| gpaw/test/test_extensions.py |
Spring.__init__ |
1 |
1 |
0 |
0% |
| gpaw/test/test_extensions.py |
Spring.build |
12 |
12 |
0 |
0% |
| gpaw/test/test_extensions.py |
Spring.build.EnergyAdder._name |
1 |
1 |
0 |
0% |
| gpaw/test/test_extensions.py |
Spring.build.EnergyAdder.__init__ |
1 |
1 |
0 |
0% |
| gpaw/test/test_extensions.py |
Spring.build.EnergyAdder._calculate |
8 |
8 |
0 |
0% |
| gpaw/test/test_extensions.py |
Spring.build.EnergyAdder.force_contribution |
1 |
1 |
0 |
0% |
| gpaw/test/test_extensions.py |
Spring.build.EnergyAdder.get_energy_contributions |
1 |
1 |
0 |
0% |
| gpaw/test/test_extensions.py |
Spring.build.EnergyAdder.move_atoms |
2 |
2 |
0 |
0% |
| gpaw/test/test_extensions.py |
Spring.todict |
1 |
1 |
0 |
0% |
| gpaw/test/test_extensions.py |
test_extensions |
62 |
60 |
0 |
3% |
| gpaw/test/test_extensions.py |
test_extensions.get_atoms |
5 |
5 |
0 |
0% |
| gpaw/test/test_extensions.py |
test_extensions.get_calc |
3 |
3 |
0 |
0% |
| gpaw/test/test_extensions.py |
test_extensions.hook |
1 |
1 |
0 |
0% |
| gpaw/test/test_extensions.py |
(no function) |
12 |
0 |
0 |
100% |
| gpaw/test/test_fermilevel.py |
test_fermilevel |
18 |
0 |
0 |
100% |
| gpaw/test/test_fermilevel.py |
(no function) |
5 |
0 |
0 |
100% |
| gpaw/test/test_fermisplit.py |
test_fermisplit |
23 |
0 |
0 |
100% |
| gpaw/test/test_fermisplit.py |
(no function) |
5 |
0 |
0 |
100% |
| gpaw/test/test_ffbt.py |
test_spherical_bessel |
3 |
0 |
0 |
100% |
| gpaw/test/test_ffbt.py |
(no function) |
6 |
0 |
0 |
100% |
| gpaw/test/test_fixdensity.py |
test_fixdensity |
28 |
2 |
0 |
93% |
| gpaw/test/test_fixdensity.py |
(no function) |
7 |
0 |
0 |
100% |
| gpaw/test/test_fixdensity_mgga.py |
test_fixdensity |
37 |
6 |
0 |
84% |
| gpaw/test/test_fixdensity_mgga.py |
(no function) |
7 |
0 |
0 |
100% |
| gpaw/test/test_fixmom.py |
test_fixmom |
9 |
0 |
0 |
100% |
| gpaw/test/test_fixmom.py |
(no function) |
5 |
0 |
0 |
100% |
| gpaw/test/test_fixocc.py |
test_fixocc |
28 |
0 |
0 |
100% |
| gpaw/test/test_fixocc.py |
(no function) |
6 |
0 |
0 |
100% |
| gpaw/test/test_force_as_stop.py |
test_force_as_stop |
8 |
0 |
0 |
100% |
| gpaw/test/test_force_as_stop.py |
(no function) |
3 |
0 |
0 |
100% |
| gpaw/test/test_fuzz.py |
test_fuzz |
2 |
0 |
0 |
100% |
| gpaw/test/test_fuzz.py |
(no function) |
7 |
0 |
0 |
100% |
| gpaw/test/test_gaunt.py |
test_contraction_rule |
15 |
0 |
0 |
100% |
| gpaw/test/test_gaunt.py |
test_selection_rules |
12 |
0 |
0 |
100% |
| gpaw/test/test_gaunt.py |
test_permutation_symmetry |
11 |
0 |
0 |
100% |
| gpaw/test/test_gaunt.py |
test_super_contraction_rule |
12 |
0 |
0 |
100% |
| gpaw/test/test_gaunt.py |
test_super_selection_rules |
17 |
0 |
0 |
100% |
| gpaw/test/test_gaunt.py |
test_super_permutation_symmetry |
12 |
0 |
0 |
100% |
| gpaw/test/test_gaunt.py |
unit_sphere_test_coordinates |
5 |
0 |
0 |
100% |
| gpaw/test/test_gaunt.py |
lm_indices |
3 |
0 |
0 |
100% |
| gpaw/test/test_gaunt.py |
(no function) |
13 |
0 |
0 |
100% |
| gpaw/test/test_gauss_func.py |
test_gauss_func |
38 |
0 |
0 |
100% |
| gpaw/test/test_gauss_func.py |
test_gauss_func.norm |
1 |
0 |
0 |
100% |
| gpaw/test/test_gauss_func.py |
(no function) |
8 |
0 |
0 |
100% |
| gpaw/test/test_gauss_wave.py |
test_gauss_wave |
81 |
0 |
0 |
100% |
| gpaw/test/test_gauss_wave.py |
(no function) |
4 |
0 |
0 |
100% |
| gpaw/test/test_generate_gpwfiles.py |
(no function) |
3 |
0 |
0 |
100% |
| gpaw/test/test_ibz2bz.py |
test_ibz2bz |
35 |
0 |
0 |
100% |
| gpaw/test/test_ibz2bz.py |
equal_dicts |
7 |
2 |
0 |
71% |
| gpaw/test/test_ibz2bz.py |
find_degenerate_subspace |
6 |
0 |
0 |
100% |
| gpaw/test/test_ibz2bz.py |
compare_projections |
3 |
0 |
0 |
100% |
| gpaw/test/test_ibz2bz.py |
check_all_electron_wfs |
5 |
0 |
0 |
100% |
| gpaw/test/test_ibz2bz.py |
get_ibz_data_from_wfs |
8 |
0 |
0 |
100% |
| gpaw/test/test_ibz2bz.py |
(no function) |
14 |
0 |
0 |
100% |
| gpaw/test/test_ibzqpt.py |
test_ibzqpt |
18 |
0 |
0 |
100% |
| gpaw/test/test_ibzqpt.py |
(no function) |
5 |
0 |
0 |
100% |
| gpaw/test/test_inducedfield_lrtddft.py |
test_inducedfield_lrtddft |
45 |
1 |
0 |
98% |
| gpaw/test/test_inducedfield_lrtddft.py |
(no function) |
10 |
0 |
0 |
100% |
| gpaw/test/test_inducedfield_td.py |
test_inducedfield_td |
50 |
0 |
0 |
100% |
| gpaw/test/test_inducedfield_td.py |
(no function) |
10 |
0 |
0 |
100% |
| gpaw/test/test_initial_occs.py |
test_initial_occs |
7 |
0 |
0 |
100% |
| gpaw/test/test_initial_occs.py |
test_ca |
8 |
0 |
0 |
100% |
| gpaw/test/test_initial_occs.py |
(no function) |
5 |
0 |
0 |
100% |
| gpaw/test/test_jellium.py |
test_jellium |
13 |
1 |
0 |
92% |
| gpaw/test/test_jellium.py |
(no function) |
15 |
0 |
0 |
100% |
| gpaw/test/test_kpt.py |
test_kpt |
11 |
0 |
0 |
100% |
| gpaw/test/test_kpt.py |
(no function) |
4 |
0 |
0 |
100% |
| gpaw/test/test_kpt_refine.py |
test_kpt_refine |
11 |
1 |
0 |
91% |
| gpaw/test/test_kpt_refine.py |
(no function) |
5 |
0 |
0 |
100% |
| gpaw/test/test_libelpa.py |
test_libelpa |
46 |
1 |
0 |
98% |
| gpaw/test/test_libelpa.py |
(no function) |
12 |
0 |
0 |
100% |
| gpaw/test/test_lvlmm.py |
QuantumState.__init__ |
5 |
0 |
0 |
100% |
| gpaw/test/test_lvlmm.py |
real_to_complex_quantum_state |
5 |
0 |
0 |
100% |
| gpaw/test/test_lvlmm.py |
matrix_element |
11 |
0 |
0 |
100% |
| gpaw/test/test_lvlmm.py |
Lz |
1 |
0 |
0 |
100% |
| gpaw/test/test_lvlmm.py |
Lp |
4 |
0 |
0 |
100% |
| gpaw/test/test_lvlmm.py |
Lm |
4 |
0 |
0 |
100% |
| gpaw/test/test_lvlmm.py |
test_lvlmm |
17 |
0 |
0 |
100% |
| gpaw/test/test_lvlmm.py |
(no function) |
11 |
0 |
0 |
100% |
| gpaw/test/test_mpicomm.py |
test_mpicomm |
39 |
15 |
0 |
62% |
| gpaw/test/test_mpicomm.py |
(no function) |
4 |
0 |
0 |
100% |
| gpaw/test/test_muffintinpot.py |
test_muffintinpot |
17 |
0 |
0 |
100% |
| gpaw/test/test_muffintinpot.py |
(no function) |
8 |
0 |
0 |
100% |
| gpaw/test/test_multipoleH2O.py |
test_multipoleH2O |
15 |
0 |
0 |
100% |
| gpaw/test/test_multipoleH2O.py |
(no function) |
9 |
0 |
0 |
100% |
| gpaw/test/test_multipoletest.py |
test_multipole |
32 |
0 |
0 |
100% |
| gpaw/test/test_multipoletest.py |
(no function) |
11 |
0 |
0 |
100% |
| gpaw/test/test_negative_eigerror.py |
test_negative_eigerror |
3 |
0 |
0 |
100% |
| gpaw/test/test_negative_eigerror.py |
(no function) |
3 |
0 |
0 |
100% |
| gpaw/test/test_new_calculator.py |
test_new_calculator |
11 |
0 |
0 |
100% |
| gpaw/test/test_new_calculator.py |
check_file_handles |
6 |
0 |
0 |
100% |
| gpaw/test/test_new_calculator.py |
check_calc |
5 |
0 |
0 |
100% |
| gpaw/test/test_new_calculator.py |
(no function) |
9 |
0 |
0 |
100% |
| gpaw/test/test_nosave_projections.py |
noprojs_gpw |
10 |
0 |
0 |
100% |
| gpaw/test/test_nosave_projections.py |
test_no_save_projections |
5 |
0 |
0 |
100% |
| gpaw/test/test_nosave_projections.py |
test_nice_error_message |
6 |
0 |
0 |
100% |
| gpaw/test/test_nosave_projections.py |
test_fixed_density_bandstructure |
7 |
0 |
0 |
100% |
| gpaw/test/test_nosave_projections.py |
(no function) |
10 |
0 |
0 |
100% |
| gpaw/test/test_occupations.py |
test_occupations |
11 |
0 |
0 |
100% |
| gpaw/test/test_occupations.py |
test_occ_obj |
8 |
0 |
0 |
100% |
| gpaw/test/test_occupations.py |
(no function) |
18 |
0 |
0 |
100% |
| gpaw/test/test_orbmag.py |
test_orbmag_Ni |
33 |
0 |
0 |
100% |
| gpaw/test/test_orbmag.py |
(no function) |
7 |
0 |
0 |
100% |
| gpaw/test/test_overlap.py |
test_overlap |
43 |
2 |
0 |
95% |
| gpaw/test/test_overlap.py |
test_overlap.get_kwargs |
2 |
0 |
0 |
100% |
| gpaw/test/test_overlap.py |
test_overlap.show |
10 |
0 |
0 |
100% |
| gpaw/test/test_overlap.py |
(no function) |
11 |
0 |
0 |
100% |
| gpaw/test/test_potential.py |
test_potential |
29 |
1 |
0 |
97% |
| gpaw/test/test_potential.py |
(no function) |
6 |
0 |
0 |
100% |
| gpaw/test/test_rattle.py |
test_rattle |
20 |
0 |
0 |
100% |
| gpaw/test/test_rattle.py |
(no function) |
8 |
0 |
0 |
100% |
| gpaw/test/test_reuse_wfs.py |
MyConvergenceCriterion.__init__ |
2 |
0 |
0 |
100% |
| gpaw/test/test_reuse_wfs.py |
MyConvergenceCriterion.get_error |
3 |
0 |
0 |
100% |
| gpaw/test/test_reuse_wfs.py |
run |
19 |
1 |
0 |
95% |
| gpaw/test/test_reuse_wfs.py |
test_reuse_wfs |
6 |
0 |
0 |
100% |
| gpaw/test/test_reuse_wfs.py |
test_reuse_sg15 |
7 |
0 |
0 |
100% |
| gpaw/test/test_reuse_wfs.py |
(no function) |
11 |
0 |
0 |
100% |
| gpaw/test/test_reuse_wfs_celldisp.py |
test_reuse_wfs_celldisp |
5 |
0 |
0 |
100% |
| gpaw/test/test_reuse_wfs_celldisp.py |
test_reuse_wfs_celldisp.check |
25 |
1 |
0 |
96% |
| gpaw/test/test_reuse_wfs_celldisp.py |
(no function) |
5 |
0 |
0 |
100% |
| gpaw/test/test_scf_criteria.py |
FourIterations.__init__ |
2 |
0 |
0 |
100% |
| gpaw/test/test_scf_criteria.py |
FourIterations.__call__ |
4 |
0 |
0 |
100% |
| gpaw/test/test_scf_criteria.py |
FourIterations.reset |
1 |
0 |
0 |
100% |
| gpaw/test/test_scf_criteria.py |
test_scf_criterion |
42 |
7 |
0 |
83% |
| gpaw/test/test_scf_criteria.py |
test_scf_custom_criterion |
14 |
0 |
0 |
100% |
| gpaw/test/test_scf_criteria.py |
(no function) |
18 |
1 |
0 |
94% |
| gpaw/test/test_spectrum.py |
test_spectrum |
13 |
0 |
0 |
100% |
| gpaw/test/test_spectrum.py |
(no function) |
6 |
0 |
0 |
100% |
| gpaw/test/test_spherical_harmonics.py |
yLL |
5 |
0 |
0 |
100% |
| gpaw/test/test_spherical_harmonics.py |
test_yy |
7 |
0 |
0 |
100% |
| gpaw/test/test_spherical_harmonics.py |
test_y_c_code |
7 |
0 |
0 |
100% |
| gpaw/test/test_spherical_harmonics.py |
test_y_c_code2 |
13 |
0 |
0 |
100% |
| gpaw/test/test_spherical_harmonics.py |
test_write_c_code |
5 |
0 |
0 |
100% |
| gpaw/test/test_spherical_harmonics.py |
test_print_YL_table_code |
2 |
0 |
0 |
100% |
| gpaw/test/test_spherical_harmonics.py |
(no function) |
10 |
0 |
0 |
100% |
| gpaw/test/test_spinorbit_Kr.py |
test_spinorbit_Kr |
10 |
0 |
0 |
100% |
| gpaw/test/test_spinorbit_Kr.py |
(no function) |
8 |
0 |
0 |
100% |
| gpaw/test/test_stdout.py |
test_stdout |
18 |
4 |
0 |
78% |
| gpaw/test/test_stdout.py |
test_stdout.Out.write |
2 |
2 |
0 |
0% |
| gpaw/test/test_stdout.py |
(no function) |
2 |
0 |
0 |
100% |
| gpaw/test/test_timelimit.py |
test_timelimit |
32 |
2 |
0 |
94% |
| gpaw/test/test_timelimit.py |
(no function) |
7 |
0 |
0 |
100% |
| gpaw/test/test_timing.py |
test_timing |
17 |
0 |
0 |
100% |
| gpaw/test/test_timing.py |
(no function) |
4 |
0 |
0 |
100% |
| gpaw/test/test_too_close.py |
test_too_close_to_boundary |
8 |
0 |
0 |
100% |
| gpaw/test/test_too_close.py |
(no function) |
7 |
0 |
0 |
100% |
| gpaw/test/test_unfold.py |
test_unfold_Ni |
26 |
0 |
0 |
100% |
| gpaw/test/test_unfold.py |
test_lcao |
16 |
0 |
0 |
100% |
| gpaw/test/test_unfold.py |
(no function) |
7 |
0 |
0 |
100% |
| gpaw/test/test_vdwradii.py |
test_vdwradii |
10 |
0 |
0 |
100% |
| gpaw/test/test_vdwradii.py |
(no function) |
2 |
0 |
0 |
100% |
| gpaw/test/test_warn_missing_mode.py |
test_no_mode_supplied |
10 |
3 |
0 |
70% |
| gpaw/test/test_warn_missing_mode.py |
(no function) |
6 |
0 |
0 |
100% |
| gpaw/test/test_watermodel.py |
Langevin |
5 |
3 |
0 |
40% |
| gpaw/test/test_watermodel.py |
test_watermodel |
47 |
0 |
0 |
100% |
| gpaw/test/test_watermodel.py |
(no function) |
14 |
0 |
0 |
100% |
| gpaw/test/tetrahedron/test_improved.py |
f |
11 |
0 |
0 |
100% |
| gpaw/test/tetrahedron/test_improved.py |
WFS.__init__ |
4 |
0 |
0 |
100% |
| gpaw/test/tetrahedron/test_improved.py |
WFS.weights |
2 |
0 |
0 |
100% |
| gpaw/test/tetrahedron/test_improved.py |
WFS.eigenvalues |
1 |
0 |
0 |
100% |
| gpaw/test/tetrahedron/test_improved.py |
test_tm_1d |
12 |
0 |
0 |
100% |
| gpaw/test/tetrahedron/test_improved.py |
(no function) |
12 |
0 |
0 |
100% |
| gpaw/test/tetrahedron/test_tetrahedron_method.py |
test_bja |
13 |
0 |
0 |
100% |
| gpaw/test/tetrahedron/test_tetrahedron_method.py |
test_tetra |
6 |
0 |
0 |
100% |
| gpaw/test/tetrahedron/test_tetrahedron_method.py |
(no function) |
7 |
0 |
0 |
100% |
| gpaw/test/utilities/test_adjust_cell.py |
test_non_periodic |
11 |
0 |
0 |
100% |
| gpaw/test/utilities/test_adjust_cell.py |
test_non_orthogonal_unitcell |
12 |
0 |
0 |
100% |
| gpaw/test/utilities/test_adjust_cell.py |
test_rotated_unitcell |
15 |
0 |
0 |
100% |
| gpaw/test/utilities/test_adjust_cell.py |
(no function) |
9 |
0 |
0 |
100% |
| gpaw/test/utilities/test_eed.py |
test_utilities_eed |
8 |
0 |
0 |
100% |
| gpaw/test/utilities/test_eed.py |
(no function) |
4 |
0 |
0 |
100% |
| gpaw/test/utilities/test_elf.py |
test_elf |
4 |
0 |
0 |
100% |
| gpaw/test/utilities/test_elf.py |
(no function) |
5 |
0 |
0 |
100% |
| gpaw/test/utilities/test_ewald.py |
test_utilities_ewald |
93 |
0 |
0 |
100% |
| gpaw/test/utilities/test_ewald.py |
(no function) |
3 |
0 |
0 |
100% |
| gpaw/test/utilities/test_ldos.py |
test_utilities_ldos |
59 |
0 |
0 |
100% |
| gpaw/test/utilities/test_ldos.py |
(no function) |
7 |
0 |
0 |
100% |
| gpaw/test/utilities/test_partitioning.py |
test_utilities_partitioning |
23 |
0 |
0 |
100% |
| gpaw/test/utilities/test_partitioning.py |
test_utilities_partitioning.run |
28 |
0 |
0 |
100% |
| gpaw/test/utilities/test_partitioning.py |
(no function) |
9 |
0 |
0 |
100% |
| gpaw/test/utilities/test_simple_stm.py |
test_utilities_simple_stm |
48 |
4 |
0 |
92% |
| gpaw/test/utilities/test_simple_stm.py |
test_utilities_simple_stm.testSTM |
13 |
0 |
0 |
100% |
| gpaw/test/utilities/test_simple_stm.py |
(no function) |
6 |
0 |
0 |
100% |
| gpaw/test/utilities/test_varing_fold.py |
test_vering_fold |
14 |
0 |
0 |
100% |
| gpaw/test/utilities/test_varing_fold.py |
(no function) |
4 |
0 |
0 |
100% |
| gpaw/test/utilities/test_wannier_ethylene.py |
ethylene |
6 |
0 |
0 |
100% |
| gpaw/test/utilities/test_wannier_ethylene.py |
test_ethylene_energy |
2 |
0 |
0 |
100% |
| gpaw/test/utilities/test_wannier_ethylene.py |
check |
12 |
1 |
0 |
92% |
| gpaw/test/utilities/test_wannier_ethylene.py |
test_wannier_centers |
1 |
0 |
0 |
100% |
| gpaw/test/utilities/test_wannier_ethylene.py |
test_wannier_centers_gpw |
2 |
0 |
0 |
100% |
| gpaw/test/utilities/test_wannier_ethylene.py |
(no function) |
17 |
0 |
0 |
100% |
| gpaw/test/vdw/test_H_Hirshfeld.py |
test_vdw_H_Hirshfeld |
12 |
0 |
0 |
100% |
| gpaw/test/vdw/test_H_Hirshfeld.py |
(no function) |
7 |
0 |
0 |
100% |
| gpaw/test/vdw/test_ar2.py |
test_vdw_ar2 |
3 |
0 |
0 |
100% |
| gpaw/test/vdw/test_ar2.py |
test_vdw_ar2.test |
28 |
0 |
0 |
100% |
| gpaw/test/vdw/test_ar2.py |
(no function) |
8 |
0 |
0 |
100% |
| gpaw/test/vdw/test_libvdwxc_functionals.py |
test_vdw_libvdwxc_functionals |
35 |
12 |
0 |
66% |
| gpaw/test/vdw/test_libvdwxc_functionals.py |
test_vdw_libvdwxc_functionals.test |
21 |
0 |
0 |
100% |
| gpaw/test/vdw/test_libvdwxc_functionals.py |
(no function) |
7 |
0 |
0 |
100% |
| gpaw/test/vdw/test_libvdwxc_h2.py |
test_vdw_libvdwxc_h2 |
23 |
0 |
0 |
100% |
| gpaw/test/vdw/test_libvdwxc_h2.py |
test_vdw_libvdwxc_h2.calculate |
6 |
0 |
0 |
100% |
| gpaw/test/vdw/test_libvdwxc_h2.py |
(no function) |
9 |
0 |
0 |
100% |
| gpaw/test/vdw/test_libvdwxc_mbeef.py |
test_vdw_libvdwxc_mbeef |
9 |
0 |
0 |
100% |
| gpaw/test/vdw/test_libvdwxc_mbeef.py |
(no function) |
10 |
0 |
0 |
100% |
| gpaw/test/vdw/test_libvdwxc_spin.py |
test_vdw_libvdwxc_spin |
5 |
0 |
0 |
100% |
| gpaw/test/vdw/test_libvdwxc_spin.py |
test_vdw_libvdwxc_spin.test |
26 |
0 |
0 |
100% |
| gpaw/test/vdw/test_libvdwxc_spin.py |
(no function) |
10 |
0 |
0 |
100% |
| gpaw/test/vdw/test_potential.py |
test_vdw_potential |
8 |
0 |
0 |
100% |
| gpaw/test/vdw/test_potential.py |
test_vdw_potential.paired |
15 |
0 |
0 |
100% |
| gpaw/test/vdw/test_potential.py |
test_vdw_potential.polarized |
17 |
0 |
0 |
100% |
| gpaw/test/vdw/test_potential.py |
(no function) |
8 |
0 |
0 |
100% |
| gpaw/test/vdw/test_quick.py |
test_vdw_quick |
7 |
0 |
0 |
100% |
| gpaw/test/vdw/test_quick.py |
(no function) |
6 |
0 |
0 |
100% |
| gpaw/test/vdw/test_quick_spin.py |
test_vdw_quick_spin |
10 |
0 |
0 |
100% |
| gpaw/test/vdw/test_quick_spin.py |
(no function) |
5 |
0 |
0 |
100% |
| gpaw/test/vdw/test_ts09.py |
test_vdw_ts09 |
25 |
0 |
0 |
100% |
| gpaw/test/vdw/test_ts09.py |
test_vdw_ts09.print_charge_and_check |
4 |
0 |
0 |
100% |
| gpaw/test/vdw/test_ts09.py |
(no function) |
12 |
0 |
0 |
100% |
| gpaw/test/wannier/conftest.py |
wannier90 |
3 |
1 |
0 |
67% |
| gpaw/test/wannier/conftest.py |
(no function) |
4 |
0 |
0 |
100% |
| gpaw/test/wannier/test_asewannier.py |
test_ase_features_asewannier |
24 |
0 |
0 |
100% |
| gpaw/test/wannier/test_asewannier.py |
test_wannier_pw |
8 |
0 |
0 |
100% |
| gpaw/test/wannier/test_asewannier.py |
(no function) |
12 |
0 |
0 |
100% |
| gpaw/test/wannier/test_h2.py |
test_wan_h2 |
5 |
0 |
0 |
100% |
| gpaw/test/wannier/test_h2.py |
test_wan90_h2 |
6 |
0 |
0 |
100% |
| gpaw/test/wannier/test_h2.py |
(no function) |
11 |
0 |
0 |
100% |
| gpaw/test/wannier/test_pe.py |
check |
6 |
0 |
0 |
100% |
| gpaw/test/wannier/test_pe.py |
test_pe_w90 |
4 |
0 |
0 |
100% |
| gpaw/test/wannier/test_pe.py |
test_pe_er |
4 |
0 |
0 |
100% |
| gpaw/test/wannier/test_pe.py |
(no function) |
12 |
0 |
0 |
100% |
| gpaw/test/wannier/test_wannier90.py |
out |
2 |
0 |
0 |
100% |
| gpaw/test/wannier/test_wannier90.py |
test_wannier90 |
25 |
0 |
0 |
100% |
| gpaw/test/wannier/test_wannier90.py |
test_wannier90_soc |
17 |
0 |
0 |
100% |
| gpaw/test/wannier/test_wannier90.py |
check_wavefunctions |
14 |
0 |
0 |
100% |
| gpaw/test/wannier/test_wannier90.py |
(no function) |
19 |
0 |
0 |
100% |
| gpaw/test/wannier/test_wannierk.py |
test_ase_features_wannierk |
11 |
1 |
0 |
91% |
| gpaw/test/wannier/test_wannierk.py |
test_ase_features_wannierk.wan |
12 |
0 |
0 |
100% |
| gpaw/test/wannier/test_wannierk.py |
(no function) |
6 |
0 |
0 |
100% |
| gpaw/test/wannier/wannierk_lcao.py |
test_wannierk_lcao |
15 |
15 |
0 |
0% |
| gpaw/test/wannier/wannierk_lcao.py |
test_wannierk_lcao.wan |
11 |
11 |
0 |
0% |
| gpaw/test/wannier/wannierk_lcao.py |
(no function) |
8 |
0 |
0 |
100% |
| gpaw/test/xc/test_XC2.py |
test_xc_XC2 |
57 |
0 |
0 |
100% |
| gpaw/test/xc/test_XC2.py |
(no function) |
8 |
0 |
0 |
100% |
| gpaw/test/xc/test_atomize.py |
test_xc_atomize |
43 |
0 |
0 |
100% |
| gpaw/test/xc/test_atomize.py |
test_xc_atomize.xc |
1 |
0 |
0 |
100% |
| gpaw/test/xc/test_atomize.py |
(no function) |
7 |
0 |
0 |
100% |
| gpaw/test/xc/test_beef.py |
test_beef |
41 |
0 |
0 |
100% |
| gpaw/test/xc/test_beef.py |
(no function) |
14 |
0 |
0 |
100% |
| gpaw/test/xc/test_degeneracy.py |
test_xc_degeneracy |
22 |
0 |
0 |
100% |
| gpaw/test/xc/test_degeneracy.py |
(no function) |
5 |
0 |
0 |
100% |
| gpaw/test/xc/test_gga_atom.py |
test_xc_gga_atom |
50 |
0 |
0 |
100% |
| gpaw/test/xc/test_gga_atom.py |
(no function) |
11 |
0 |
0 |
100% |
| gpaw/test/xc/test_lb94.py |
test_xc_lb94 |
64 |
0 |
0 |
100% |
| gpaw/test/xc/test_lb94.py |
(no function) |
9 |
0 |
0 |
100% |
| gpaw/test/xc/test_lxc_fhc.py |
test_mgga_lxc_fhc |
9 |
5 |
0 |
44% |
| gpaw/test/xc/test_lxc_fhc.py |
(no function) |
10 |
0 |
0 |
100% |
| gpaw/test/xc/test_lxc_laplacian.py |
test_mgga_lxc_laplacian |
2 |
0 |
0 |
100% |
| gpaw/test/xc/test_lxc_laplacian.py |
test_mgga_lxc_suppressed_laplacian |
1 |
0 |
0 |
100% |
| gpaw/test/xc/test_lxc_laplacian.py |
(no function) |
7 |
0 |
0 |
100% |
| gpaw/test/xc/test_lxc_xcatom.py |
test_xc_lxc_xcatom |
42 |
2 |
0 |
95% |
| gpaw/test/xc/test_lxc_xcatom.py |
(no function) |
8 |
0 |
0 |
100% |
| gpaw/test/xc/test_nonselfconsistent.py |
xc |
1 |
0 |
0 |
100% |
| gpaw/test/xc/test_nonselfconsistent.py |
test_xc_nonselfconsistent |
23 |
0 |
0 |
100% |
| gpaw/test/xc/test_nonselfconsistent.py |
(no function) |
6 |
0 |
0 |
100% |
| gpaw/test/xc/test_nonselfconsistentLDA.py |
test_xc_nonselfconsistentLDA |
25 |
0 |
0 |
100% |
| gpaw/test/xc/test_nonselfconsistentLDA.py |
(no function) |
5 |
0 |
0 |
100% |
| gpaw/test/xc/test_pbe_pw91.py |
test_xc_pbe_pw91 |
9 |
0 |
0 |
100% |
| gpaw/test/xc/test_pbe_pw91.py |
test_xc_pbe_pw91.f0 |
10 |
0 |
0 |
100% |
| gpaw/test/xc/test_pbe_pw91.py |
test_xc_pbe_pw91.f1 |
10 |
0 |
0 |
100% |
| gpaw/test/xc/test_pbe_pw91.py |
(no function) |
6 |
0 |
0 |
100% |
| gpaw/test/xc/test_pplda.py |
test_xc_pplda |
30 |
0 |
0 |
100% |
| gpaw/test/xc/test_pplda.py |
(no function) |
4 |
0 |
0 |
100% |
| gpaw/test/xc/test_pygga.py |
test_xc_pygga |
32 |
0 |
0 |
100% |
| gpaw/test/xc/test_pygga.py |
(no function) |
4 |
0 |
0 |
100% |
| gpaw/test/xc/test_qna_band.py |
test_xc_qna_band |
14 |
0 |
0 |
100% |
| gpaw/test/xc/test_qna_band.py |
(no function) |
5 |
0 |
0 |
100% |
| gpaw/test/xc/test_qna_force.py |
test_xc_qna_force |
20 |
0 |
0 |
100% |
| gpaw/test/xc/test_qna_force.py |
(no function) |
5 |
0 |
0 |
100% |
| gpaw/test/xc/test_qna_spinpol.py |
test_xc_qna_spinpol |
9 |
0 |
0 |
100% |
| gpaw/test/xc/test_qna_spinpol.py |
(no function) |
5 |
0 |
0 |
100% |
| gpaw/test/xc/test_qna_stress.py |
numeric_stress |
26 |
9 |
0 |
65% |
| gpaw/test/xc/test_qna_stress.py |
test_xc_qna_stress |
14 |
0 |
0 |
100% |
| gpaw/test/xc/test_qna_stress.py |
(no function) |
9 |
0 |
0 |
100% |
| gpaw/test/xc/test_revPBE.py |
test_xc_revPBE |
17 |
0 |
0 |
100% |
| gpaw/test/xc/test_revPBE.py |
(no function) |
5 |
0 |
0 |
100% |
| gpaw/test/xc/test_revPBE_Li.py |
test_xc_revPBE_Li |
16 |
0 |
0 |
100% |
| gpaw/test/xc/test_revPBE_Li.py |
(no function) |
5 |
0 |
0 |
100% |
| gpaw/test/xc/test_tb09.py |
test_xc_tb09 |
14 |
0 |
0 |
100% |
| gpaw/test/xc/test_tb09.py |
test_xc_tb09.xc |
1 |
0 |
0 |
100% |
| gpaw/test/xc/test_tb09.py |
(no function) |
9 |
0 |
0 |
100% |
| gpaw/test/xc/test_tpss.py |
test_tpss |
45 |
0 |
0 |
100% |
| gpaw/test/xc/test_tpss.py |
(no function) |
6 |
0 |
0 |
100% |
| gpaw/test/xc/test_xc.py |
test_xc_xc |
64 |
2 |
0 |
97% |
| gpaw/test/xc/test_xc.py |
test_xc_xc.create_xc |
4 |
0 |
0 |
100% |
| gpaw/test/xc/test_xc.py |
test_xc_xc.f1 |
9 |
0 |
0 |
100% |
| gpaw/test/xc/test_xc.py |
test_xc_xc.f2 |
11 |
0 |
0 |
100% |
| gpaw/test/xc/test_xc.py |
(no function) |
9 |
0 |
0 |
100% |
| gpaw/test/xc/test_xcatom.py |
test_xc_xcatom |
33 |
0 |
0 |
100% |
| gpaw/test/xc/test_xcatom.py |
(no function) |
6 |
0 |
0 |
100% |
| gpaw/test/zfs/test_o2.py |
test_zfs_o2 |
11 |
0 |
0 |
100% |
| gpaw/test/zfs/test_o2.py |
(no function) |
8 |
0 |
0 |
100% |
| gpaw/tetrahedron.py |
bja1 |
2 |
0 |
0 |
100% |
| gpaw/tetrahedron.py |
bja2 |
3 |
0 |
0 |
100% |
| gpaw/tetrahedron.py |
bja3 |
2 |
0 |
0 |
100% |
| gpaw/tetrahedron.py |
bja1b |
6 |
0 |
0 |
100% |
| gpaw/tetrahedron.py |
bja2b |
8 |
0 |
0 |
100% |
| gpaw/tetrahedron.py |
bja3b |
6 |
0 |
0 |
100% |
| gpaw/tetrahedron.py |
triangulate_submesh |
7 |
0 |
0 |
100% |
| gpaw/tetrahedron.py |
triangulate_everything |
7 |
0 |
0 |
100% |
| gpaw/tetrahedron.py |
TetrahedronMethod.__init__ |
14 |
0 |
0 |
100% |
| gpaw/tetrahedron.py |
TetrahedronMethod.__repr__ |
1 |
0 |
0 |
100% |
| gpaw/tetrahedron.py |
TetrahedronMethod.copy |
1 |
1 |
0 |
0% |
| gpaw/tetrahedron.py |
TetrahedronMethod._calculate |
31 |
4 |
0 |
87% |
| gpaw/tetrahedron.py |
TetrahedronMethod._calculate.func |
7 |
0 |
0 |
100% |
| gpaw/tetrahedron.py |
TetrahedronMethod._calculate.w |
1 |
0 |
0 |
100% |
| gpaw/tetrahedron.py |
count |
22 |
0 |
0 |
100% |
| gpaw/tetrahedron.py |
weights |
33 |
0 |
0 |
100% |
| gpaw/tetrahedron.py |
(no function) |
24 |
0 |
0 |
100% |
| gpaw/transformers.py |
_Transformer.__init__ |
39 |
3 |
0 |
92% |
| gpaw/transformers.py |
_Transformer.apply |
8 |
1 |
0 |
88% |
| gpaw/transformers.py |
_Transformer.get_async_sizes |
1 |
1 |
0 |
0% |
| gpaw/transformers.py |
TransformerWrapper.__init__ |
5 |
0 |
0 |
100% |
| gpaw/transformers.py |
TransformerWrapper.apply |
7 |
0 |
0 |
100% |
| gpaw/transformers.py |
TransformerWrapper.get_async_sizes |
1 |
1 |
0 |
0% |
| gpaw/transformers.py |
Transformer |
9 |
0 |
0 |
100% |
| gpaw/transformers.py |
Transformer.T.apply |
1 |
0 |
0 |
100% |
| gpaw/transformers.py |
multiple_transform_apply |
1 |
1 |
0 |
0% |
| gpaw/transformers.py |
coefs |
12 |
12 |
0 |
0% |
| gpaw/transformers.py |
(no function) |
16 |
0 |
0 |
100% |
| gpaw/typing.py |
(no function) |
22 |
3 |
0 |
86% |
| gpaw/unfold.py |
Unfold.__init__ |
24 |
0 |
0 |
100% |
| gpaw/unfold.py |
Unfold.get_K_index |
4 |
0 |
0 |
100% |
| gpaw/unfold.py |
Unfold.get_g |
12 |
0 |
0 |
100% |
| gpaw/unfold.py |
Unfold.get_G_index |
4 |
0 |
0 |
100% |
| gpaw/unfold.py |
Unfold.get_eigenvalues |
4 |
0 |
0 |
100% |
| gpaw/unfold.py |
Unfold.get_pw_wavefunctions_k |
18 |
0 |
0 |
100% |
| gpaw/unfold.py |
Unfold.get_spectral_weights_k |
25 |
0 |
0 |
100% |
| gpaw/unfold.py |
Unfold.get_spectral_weights |
30 |
1 |
0 |
97% |
| gpaw/unfold.py |
Unfold.spectral_function |
18 |
18 |
0 |
0% |
| gpaw/unfold.py |
find_K_from_k |
10 |
4 |
0 |
60% |
| gpaw/unfold.py |
get_rs_wavefunctions_k |
21 |
1 |
0 |
95% |
| gpaw/unfold.py |
plot_spectral_function |
28 |
28 |
0 |
0% |
| gpaw/unfold.py |
plot_band_structure |
18 |
18 |
0 |
0% |
| gpaw/unfold.py |
make_colormap |
9 |
9 |
0 |
0% |
| gpaw/unfold.py |
get_vacuum_level |
10 |
10 |
0 |
0% |
| gpaw/unfold.py |
(no function) |
24 |
0 |
0 |
100% |
| gpaw/upf.py |
UPFStateSpec.__init__ |
6 |
0 |
0 |
100% |
| gpaw/upf.py |
UPFCompensationChargeSpec.__init__ |
6 |
6 |
0 |
0% |
| gpaw/upf.py |
UPFCompensationChargeSpec.__repr__ |
1 |
1 |
0 |
0% |
| gpaw/upf.py |
trim_outer_zeros |
6 |
6 |
0 |
0% |
| gpaw/upf.py |
parse_upf |
97 |
44 |
0 |
55% |
| gpaw/upf.py |
parse_upf.toarray |
9 |
0 |
0 |
100% |
| gpaw/upf.py |
read_sg15 |
8 |
1 |
0 |
88% |
| gpaw/upf.py |
UPFSetupData.__init__ |
61 |
1 |
0 |
98% |
| gpaw/upf.py |
UPFSetupData.get_jargs |
10 |
0 |
0 |
100% |
| gpaw/upf.py |
UPFSetupData.tostring |
26 |
0 |
0 |
100% |
| gpaw/upf.py |
UPFSetupData.tostring.add |
1 |
0 |
0 |
100% |
| gpaw/upf.py |
UPFSetupData.print_info |
1 |
0 |
0 |
100% |
| gpaw/upf.py |
UPFSetupData.expand_hamiltonian_matrix |
21 |
1 |
0 |
95% |
| gpaw/upf.py |
UPFSetupData.get_local_potential |
2 |
0 |
0 |
100% |
| gpaw/upf.py |
UPFSetupData.get_projectors |
8 |
0 |
0 |
100% |
| gpaw/upf.py |
UPFSetupData._interp |
7 |
0 |
0 |
100% |
| gpaw/upf.py |
UPFSetupData.get_compensation_charge_functions |
8 |
0 |
0 |
100% |
| gpaw/upf.py |
UPFSetupData.create_basis_functions |
4 |
0 |
0 |
100% |
| gpaw/upf.py |
UPFSetupData.get_stored_basis_functions |
17 |
0 |
0 |
100% |
| gpaw/upf.py |
UPFSetupData.build |
3 |
0 |
0 |
100% |
| gpaw/upf.py |
main_plot |
16 |
16 |
0 |
0% |
| gpaw/upf.py |
upfplot |
54 |
54 |
0 |
0% |
| gpaw/upf.py |
upfplot.rtrunc |
3 |
3 |
0 |
0% |
| gpaw/upf.py |
(no function) |
36 |
0 |
0 |
100% |
| gpaw/utilities/__init__.py |
check_atoms_too_close |
4 |
0 |
0 |
100% |
| gpaw/utilities/__init__.py |
check_atoms_too_close_to_boundary |
10 |
0 |
0 |
100% |
| gpaw/utilities/__init__.py |
unpack_atomic_matrices |
20 |
10 |
0 |
50% |
| gpaw/utilities/__init__.py |
pack_atomic_matrices |
3 |
0 |
0 |
100% |
| gpaw/utilities/__init__.py |
h2gpts |
2 |
0 |
0 |
100% |
| gpaw/utilities/__init__.py |
is_contiguous |
3 |
0 |
0 |
100% |
| gpaw/utilities/__init__.py |
hartree |
7 |
0 |
0 |
100% |
| gpaw/utilities/__init__.py |
packed_index |
3 |
0 |
0 |
100% |
| gpaw/utilities/__init__.py |
unpacked_indices |
3 |
3 |
0 |
0% |
| gpaw/utilities/__init__.py |
pack_hermitian |
15 |
0 |
0 |
100% |
| gpaw/utilities/__init__.py |
unpack_hermitian |
10 |
0 |
0 |
100% |
| gpaw/utilities/__init__.py |
pack_density |
4 |
0 |
0 |
100% |
| gpaw/utilities/__init__.py |
unpack_density |
6 |
0 |
0 |
100% |
| gpaw/utilities/__init__.py |
element_from_packed |
8 |
8 |
0 |
0% |
| gpaw/utilities/__init__.py |
logfile |
10 |
10 |
0 |
0% |
| gpaw/utilities/__init__.py |
uncamelcase |
2 |
0 |
0 |
100% |
| gpaw/utilities/__init__.py |
divrl |
7 |
0 |
0 |
100% |
| gpaw/utilities/__init__.py |
compiled_with_sl |
1 |
0 |
0 |
100% |
| gpaw/utilities/__init__.py |
compiled_with_libvdwxc |
1 |
0 |
0 |
100% |
| gpaw/utilities/__init__.py |
load_balance |
20 |
20 |
0 |
0% |
| gpaw/utilities/__init__.py |
unlink |
12 |
12 |
0 |
0% |
| gpaw/utilities/__init__.py |
file_barrier |
9 |
9 |
0 |
0% |
| gpaw/utilities/__init__.py |
_NullIO.writable |
1 |
0 |
0 |
100% |
| gpaw/utilities/__init__.py |
_NullIO.flush |
1 |
1 |
0 |
0% |
| gpaw/utilities/__init__.py |
convert_string_to_fd |
9 |
9 |
0 |
0% |
| gpaw/utilities/__init__.py |
as_complex_dtype |
1 |
0 |
0 |
100% |
| gpaw/utilities/__init__.py |
as_real_dtype |
1 |
0 |
0 |
100% |
| gpaw/utilities/__init__.py |
(no function) |
59 |
2 |
0 |
97% |
| gpaw/utilities/acwf.py |
eos |
11 |
11 |
0 |
0% |
| gpaw/utilities/acwf.py |
fit |
12 |
12 |
0 |
0% |
| gpaw/utilities/acwf.py |
run_eos_calculation |
8 |
8 |
0 |
0% |
| gpaw/utilities/acwf.py |
workflow |
5 |
5 |
0 |
0% |
| gpaw/utilities/acwf.py |
work |
11 |
11 |
0 |
0% |
| gpaw/utilities/acwf.py |
create_folders |
2 |
2 |
0 |
0% |
| gpaw/utilities/acwf.py |
collect_data |
10 |
10 |
0 |
0% |
| gpaw/utilities/acwf.py |
reference_structure |
7 |
7 |
0 |
0% |
| gpaw/utilities/acwf.py |
(no function) |
23 |
1 |
0 |
96% |
| gpaw/utilities/adjust_cell.py |
adjust_cell |
34 |
1 |
0 |
97% |
| gpaw/utilities/adjust_cell.py |
(no function) |
5 |
0 |
0 |
100% |
| gpaw/utilities/agts.py |
workflow |
4 |
4 |
0 |
0% |
| gpaw/utilities/agts.py |
check_lattice_constant |
3 |
3 |
0 |
0% |
| gpaw/utilities/agts.py |
(no function) |
5 |
0 |
0 |
100% |
| gpaw/utilities/bader.py |
read_bader_charges |
8 |
8 |
0 |
0% |
| gpaw/utilities/bader.py |
main |
10 |
10 |
0 |
0% |
| gpaw/utilities/bader.py |
(no function) |
12 |
1 |
0 |
92% |
| gpaw/utilities/blas.py |
is_finite |
6 |
1 |
0 |
83% |
| gpaw/utilities/blas.py |
mmm |
19 |
0 |
0 |
100% |
| gpaw/utilities/blas.py |
gpu_mmm |
7 |
7 |
0 |
0% |
| gpaw/utilities/blas.py |
gpu_scal |
7 |
7 |
0 |
0% |
| gpaw/utilities/blas.py |
to2d |
2 |
0 |
0 |
100% |
| gpaw/utilities/blas.py |
mmmx |
1 |
0 |
0 |
100% |
| gpaw/utilities/blas.py |
gpu_gemm |
15 |
15 |
0 |
0% |
| gpaw/utilities/blas.py |
gpu_gemv |
12 |
12 |
0 |
0% |
| gpaw/utilities/blas.py |
axpy |
8 |
0 |
0 |
100% |
| gpaw/utilities/blas.py |
gpu_axpy |
9 |
9 |
0 |
0% |
| gpaw/utilities/blas.py |
rk |
10 |
0 |
0 |
100% |
| gpaw/utilities/blas.py |
gpu_rk |
1 |
1 |
0 |
0% |
| gpaw/utilities/blas.py |
r2k |
11 |
1 |
0 |
91% |
| gpaw/utilities/blas.py |
gpu_r2k |
1 |
1 |
0 |
0% |
| gpaw/utilities/blas.py |
gpu_dotc |
4 |
4 |
0 |
0% |
| gpaw/utilities/blas.py |
gpu_dotu |
4 |
4 |
0 |
0% |
| gpaw/utilities/blas.py |
_gemmdot |
21 |
0 |
0 |
100% |
| gpaw/utilities/blas.py |
op |
7 |
1 |
0 |
86% |
| gpaw/utilities/blas.py |
rk |
9 |
3 |
0 |
67% |
| gpaw/utilities/blas.py |
r2k |
8 |
2 |
0 |
75% |
| gpaw/utilities/blas.py |
mmm |
4 |
0 |
0 |
100% |
| gpaw/utilities/blas.py |
(no function) |
54 |
4 |
0 |
93% |
| gpaw/utilities/cg.py |
CG |
24 |
1 |
0 |
96% |
| gpaw/utilities/cg.py |
(no function) |
2 |
0 |
0 |
100% |
| gpaw/utilities/debug.py |
frozen |
3 |
3 |
0 |
0% |
| gpaw/utilities/debug.py |
frozen.frozensetattr |
4 |
4 |
0 |
0% |
| gpaw/utilities/debug.py |
(no function) |
1 |
0 |
0 |
100% |
| gpaw/utilities/dipole.py |
dipole_matrix_elements |
1 |
1 |
0 |
0% |
| gpaw/utilities/dipole.py |
dipole_matrix_elements_from_calc |
17 |
1 |
0 |
94% |
| gpaw/utilities/dipole.py |
main |
23 |
1 |
0 |
96% |
| gpaw/utilities/dipole.py |
(no function) |
12 |
1 |
0 |
92% |
| gpaw/utilities/dos.py |
print_projectors |
16 |
16 |
0 |
0% |
| gpaw/utilities/dos.py |
number_of_projectors |
12 |
12 |
0 |
0% |
| gpaw/utilities/dos.py |
get_angular_projectors |
13 |
1 |
0 |
92% |
| gpaw/utilities/dos.py |
delta |
4 |
2 |
0 |
50% |
| gpaw/utilities/dos.py |
fold |
7 |
0 |
0 |
100% |
| gpaw/utilities/dos.py |
raw_orbital_LDOS |
32 |
4 |
0 |
88% |
| gpaw/utilities/dos.py |
all_electron_LDOS |
37 |
37 |
0 |
0% |
| gpaw/utilities/dos.py |
get_all_electron_IPR |
29 |
29 |
0 |
0% |
| gpaw/utilities/dos.py |
raw_wignerseitz_LDOS |
20 |
0 |
0 |
100% |
| gpaw/utilities/dos.py |
RawLDOS.__init__ |
8 |
0 |
0 |
100% |
| gpaw/utilities/dos.py |
RawLDOS.get |
15 |
0 |
0 |
100% |
| gpaw/utilities/dos.py |
RawLDOS.by_element |
13 |
1 |
0 |
92% |
| gpaw/utilities/dos.py |
RawLDOS.to_file |
85 |
7 |
0 |
92% |
| gpaw/utilities/dos.py |
RawLDOS.to_file.append_weight_strings |
8 |
0 |
0 |
100% |
| gpaw/utilities/dos.py |
RawLDOS.by_element_to_file |
2 |
0 |
0 |
100% |
| gpaw/utilities/dos.py |
LCAODOS.__init__ |
1 |
0 |
0 |
100% |
| gpaw/utilities/dos.py |
LCAODOS.get_orbital_pdos |
1 |
0 |
0 |
100% |
| gpaw/utilities/dos.py |
LCAODOS.get_atomic_subspace_pdos |
2 |
0 |
0 |
100% |
| gpaw/utilities/dos.py |
LCAODOS.get_atom_indices |
7 |
0 |
0 |
100% |
| gpaw/utilities/dos.py |
LCAODOS.get_subspace_pdos |
34 |
2 |
0 |
94% |
| gpaw/utilities/dos.py |
RestartLCAODOS.__init__ |
4 |
4 |
0 |
0% |
| gpaw/utilities/dos.py |
(no function) |
32 |
0 |
0 |
100% |
| gpaw/utilities/ekin.py |
ekin |
14 |
14 |
0 |
0% |
| gpaw/utilities/ekin.py |
dekindecut |
6 |
6 |
0 |
0% |
| gpaw/utilities/ekin.py |
(no function) |
30 |
21 |
0 |
30% |
| gpaw/utilities/elpa.py |
_elpaconstants |
3 |
0 |
0 |
100% |
| gpaw/utilities/elpa.py |
LibElpa.have_elpa |
1 |
0 |
0 |
100% |
| gpaw/utilities/elpa.py |
LibElpa.api_version |
1 |
1 |
0 |
0% |
| gpaw/utilities/elpa.py |
LibElpa.ensure_elpa_initialized |
4 |
0 |
0 |
100% |
| gpaw/utilities/elpa.py |
LibElpa.__init__ |
19 |
2 |
0 |
89% |
| gpaw/utilities/elpa.py |
LibElpa.description |
6 |
0 |
0 |
100% |
| gpaw/utilities/elpa.py |
LibElpa.nev |
1 |
0 |
0 |
100% |
| gpaw/utilities/elpa.py |
LibElpa._is_complex |
5 |
1 |
0 |
80% |
| gpaw/utilities/elpa.py |
LibElpa.diagonalize |
4 |
0 |
0 |
100% |
| gpaw/utilities/elpa.py |
LibElpa.general_diagonalize |
5 |
0 |
0 |
100% |
| gpaw/utilities/elpa.py |
LibElpa.elpa_set |
3 |
0 |
0 |
100% |
| gpaw/utilities/elpa.py |
LibElpa.__repr__ |
1 |
1 |
0 |
0% |
| gpaw/utilities/elpa.py |
LibElpa.__del__ |
3 |
0 |
0 |
100% |
| gpaw/utilities/elpa.py |
(no function) |
23 |
0 |
0 |
100% |
| gpaw/utilities/ewald.py |
Ewald.__init__ |
7 |
0 |
0 |
100% |
| gpaw/utilities/ewald.py |
Ewald.get_wigner_seitz_radius |
1 |
0 |
0 |
100% |
| gpaw/utilities/ewald.py |
Ewald.get_sum_recip_ij |
12 |
0 |
0 |
100% |
| gpaw/utilities/ewald.py |
Ewald.get_sum_real_ij |
11 |
0 |
0 |
100% |
| gpaw/utilities/ewald.py |
Ewald.get_electrostatic_potential |
21 |
2 |
0 |
90% |
| gpaw/utilities/ewald.py |
madelung |
1 |
0 |
0 |
100% |
| gpaw/utilities/ewald.py |
(no function) |
10 |
0 |
0 |
100% |
| gpaw/utilities/extend_grid.py |
extended_grid_descriptor |
14 |
0 |
0 |
100% |
| gpaw/utilities/extend_grid.py |
extend_array |
3 |
0 |
0 |
100% |
| gpaw/utilities/extend_grid.py |
deextend_array |
3 |
0 |
0 |
100% |
| gpaw/utilities/extend_grid.py |
move_atoms |
4 |
4 |
0 |
0% |
| gpaw/utilities/extend_grid.py |
(no function) |
8 |
0 |
0 |
100% |
| gpaw/utilities/extrapolate.py |
extrapolate |
49 |
49 |
0 |
0% |
| gpaw/utilities/extrapolate.py |
(no function) |
4 |
0 |
0 |
100% |
| gpaw/utilities/folder.py |
x_y_xl |
9 |
1 |
0 |
89% |
| gpaw/utilities/folder.py |
Lorentz.__init__ |
2 |
0 |
0 |
100% |
| gpaw/utilities/folder.py |
Lorentz.get |
1 |
0 |
0 |
100% |
| gpaw/utilities/folder.py |
Lorentz.set_width |
3 |
0 |
0 |
100% |
| gpaw/utilities/folder.py |
Lorentz.fwhm |
1 |
0 |
0 |
100% |
| gpaw/utilities/folder.py |
Lorentz.fwhm |
1 |
1 |
0 |
0% |
| gpaw/utilities/folder.py |
Voigt.__init__ |
2 |
0 |
0 |
100% |
| gpaw/utilities/folder.py |
Voigt.get |
6 |
0 |
0 |
100% |
| gpaw/utilities/folder.py |
Voigt.set_width |
10 |
0 |
0 |
100% |
| gpaw/utilities/folder.py |
Voigt.fwhm |
1 |
1 |
0 |
0% |
| gpaw/utilities/folder.py |
Voigt.fwhm |
1 |
1 |
0 |
0% |
| gpaw/utilities/folder.py |
ComplexLorentz.__init__ |
2 |
2 |
0 |
0% |
| gpaw/utilities/folder.py |
ComplexLorentz.get |
1 |
1 |
0 |
0% |
| gpaw/utilities/folder.py |
ComplexLorentz.set_width |
2 |
2 |
0 |
0% |
| gpaw/utilities/folder.py |
ComplexGauss.__init__ |
2 |
0 |
0 |
100% |
| gpaw/utilities/folder.py |
ComplexGauss.get |
2 |
0 |
0 |
100% |
| gpaw/utilities/folder.py |
ComplexGauss.set_width |
2 |
0 |
0 |
100% |
| gpaw/utilities/folder.py |
LorentzPole.__init__ |
5 |
0 |
0 |
100% |
| gpaw/utilities/folder.py |
LorentzPole.get_real |
1 |
0 |
0 |
100% |
| gpaw/utilities/folder.py |
LorentzPole.get_imaginary |
1 |
0 |
0 |
100% |
| gpaw/utilities/folder.py |
LorentzPole.set_width |
1 |
0 |
0 |
100% |
| gpaw/utilities/folder.py |
Folder.__init__ |
16 |
2 |
0 |
88% |
| gpaw/utilities/folder.py |
Folder.x_lim |
14 |
0 |
0 |
100% |
| gpaw/utilities/folder.py |
Folder.fold |
7 |
0 |
0 |
100% |
| gpaw/utilities/folder.py |
Folder.fold_values |
6 |
0 |
0 |
100% |
| gpaw/utilities/folder.py |
Folder.varing_fold |
7 |
0 |
0 |
100% |
| gpaw/utilities/folder.py |
Folder.varing_fold_values |
14 |
0 |
0 |
100% |
| gpaw/utilities/folder.py |
(no function) |
39 |
0 |
0 |
100% |
| gpaw/utilities/gauss.py |
Y_L |
18 |
0 |
0 |
100% |
| gpaw/utilities/gauss.py |
gauss_L |
18 |
0 |
0 |
100% |
| gpaw/utilities/gauss.py |
gausspot_L |
18 |
4 |
0 |
78% |
| gpaw/utilities/gauss.py |
Gaussian.__init__ |
6 |
0 |
0 |
100% |
| gpaw/utilities/gauss.py |
Gaussian.set_width |
5 |
0 |
0 |
100% |
| gpaw/utilities/gauss.py |
Gaussian.get_gauss |
5 |
0 |
0 |
100% |
| gpaw/utilities/gauss.py |
Gaussian.get_gauss_pot |
7 |
0 |
0 |
100% |
| gpaw/utilities/gauss.py |
Gaussian.get_moment |
3 |
0 |
0 |
100% |
| gpaw/utilities/gauss.py |
Gaussian.remove_moment |
6 |
0 |
0 |
100% |
| gpaw/utilities/gauss.py |
gaussian_wave |
20 |
3 |
0 |
85% |
| gpaw/utilities/gauss.py |
(no function) |
18 |
0 |
0 |
100% |
| gpaw/utilities/gl_quadrature.py |
GaussLegendre.__init__ |
8 |
2 |
0 |
75% |
| gpaw/utilities/gl_quadrature.py |
GaussLegendre.get_x |
1 |
0 |
0 |
100% |
| gpaw/utilities/gl_quadrature.py |
GaussLegendre.get_w |
1 |
0 |
0 |
100% |
| gpaw/utilities/gl_quadrature.py |
gauss |
6 |
6 |
0 |
0% |
| gpaw/utilities/gl_quadrature.py |
gaussLog |
6 |
6 |
0 |
0% |
| gpaw/utilities/gl_quadrature.py |
f2 |
1 |
1 |
0 |
0% |
| gpaw/utilities/gl_quadrature.py |
f3 |
1 |
1 |
0 |
0% |
| gpaw/utilities/gl_quadrature.py |
f4 |
1 |
1 |
0 |
0% |
| gpaw/utilities/gl_quadrature.py |
f5 |
1 |
1 |
0 |
0% |
| gpaw/utilities/gl_quadrature.py |
(no function) |
49 |
35 |
0 |
29% |
| gpaw/utilities/gpts.py |
get_number_of_grid_points |
39 |
2 |
0 |
95% |
| gpaw/utilities/gpts.py |
(no function) |
7 |
0 |
0 |
100% |
| gpaw/utilities/grid.py |
GridRedistributor.__init__ |
23 |
2 |
0 |
91% |
| gpaw/utilities/grid.py |
GridRedistributor.__init__.rank2parpos1 |
3 |
3 |
0 |
0% |
| gpaw/utilities/grid.py |
GridRedistributor.distribute |
7 |
4 |
0 |
43% |
| gpaw/utilities/grid.py |
GridRedistributor.collect |
8 |
5 |
0 |
38% |
| gpaw/utilities/grid.py |
GridRedistributor.get_atom_distributions |
1 |
0 |
0 |
100% |
| gpaw/utilities/grid.py |
AtomDistributions.__init__ |
17 |
0 |
0 |
100% |
| gpaw/utilities/grid.py |
AtomDistributions.to_aux |
3 |
0 |
0 |
100% |
| gpaw/utilities/grid.py |
AtomDistributions.from_aux |
3 |
0 |
0 |
100% |
| gpaw/utilities/grid.py |
AtomDistributions.to_work |
1 |
0 |
0 |
100% |
| gpaw/utilities/grid.py |
AtomDistributions.from_work |
1 |
0 |
0 |
100% |
| gpaw/utilities/grid.py |
get_domains_from_gd |
8 |
0 |
0 |
100% |
| gpaw/utilities/grid.py |
get_domains_from_gd.rank2parpos |
4 |
1 |
0 |
75% |
| gpaw/utilities/grid.py |
get_domains_from_gd.add_offset |
4 |
0 |
0 |
100% |
| gpaw/utilities/grid.py |
grid2grid |
5 |
0 |
0 |
100% |
| gpaw/utilities/grid.py |
main |
30 |
30 |
0 |
0% |
| gpaw/utilities/grid.py |
(no function) |
20 |
1 |
0 |
95% |
| gpaw/utilities/grid_redistribute.py |
AlignedGridRedistributor.__init__ |
4 |
4 |
0 |
0% |
| gpaw/utilities/grid_redistribute.py |
AlignedGridRedistributor._redist |
1 |
1 |
0 |
0% |
| gpaw/utilities/grid_redistribute.py |
AlignedGridRedistributor.forth |
1 |
1 |
0 |
0% |
| gpaw/utilities/grid_redistribute.py |
AlignedGridRedistributor.back |
1 |
1 |
0 |
0% |
| gpaw/utilities/grid_redistribute.py |
redistribute |
102 |
1 |
0 |
99% |
| gpaw/utilities/grid_redistribute.py |
redistribute.ChunkCopier.__init__ |
2 |
0 |
0 |
100% |
| gpaw/utilities/grid_redistribute.py |
redistribute.ChunkCopier.copy |
1 |
0 |
0 |
100% |
| gpaw/utilities/grid_redistribute.py |
get_compatible_grid_descriptor |
8 |
0 |
0 |
100% |
| gpaw/utilities/grid_redistribute.py |
Domains.__init__ |
2 |
0 |
0 |
100% |
| gpaw/utilities/grid_redistribute.py |
Domains.get_global_shape |
1 |
1 |
0 |
0% |
| gpaw/utilities/grid_redistribute.py |
Domains.get_offset |
2 |
0 |
0 |
100% |
| gpaw/utilities/grid_redistribute.py |
Domains.get_box |
4 |
0 |
0 |
100% |
| gpaw/utilities/grid_redistribute.py |
Domains.as_serial |
1 |
1 |
0 |
0% |
| gpaw/utilities/grid_redistribute.py |
random_subcomm |
4 |
4 |
0 |
0% |
| gpaw/utilities/grid_redistribute.py |
RandomDistribution.__init__ |
15 |
15 |
0 |
0% |
| gpaw/utilities/grid_redistribute.py |
RandomDistribution.parpos2rank |
1 |
1 |
0 |
0% |
| gpaw/utilities/grid_redistribute.py |
RandomDistribution.rank2parpos |
4 |
4 |
0 |
0% |
| gpaw/utilities/grid_redistribute.py |
RandomDistribution.get_test_array |
7 |
7 |
0 |
0% |
| gpaw/utilities/grid_redistribute.py |
general_redistribute |
66 |
0 |
0 |
100% |
| gpaw/utilities/grid_redistribute.py |
general_redistribute._intersection |
7 |
1 |
0 |
86% |
| gpaw/utilities/grid_redistribute.py |
general_redistribute.get_sendchunk |
1 |
0 |
0 |
100% |
| gpaw/utilities/grid_redistribute.py |
general_redistribute.get_recvchunk |
1 |
0 |
0 |
100% |
| gpaw/utilities/grid_redistribute.py |
test_general_redistribute |
16 |
16 |
0 |
0% |
| gpaw/utilities/grid_redistribute.py |
playground |
42 |
42 |
0 |
0% |
| gpaw/utilities/grid_redistribute.py |
test |
32 |
7 |
0 |
78% |
| gpaw/utilities/grid_redistribute.py |
rigorous_testing |
26 |
2 |
0 |
92% |
| gpaw/utilities/grid_redistribute.py |
(no function) |
29 |
1 |
0 |
97% |
| gpaw/utilities/hardware.py |
dhms |
9 |
9 |
0 |
0% |
| gpaw/utilities/hardware.py |
hms |
7 |
7 |
0 |
0% |
| gpaw/utilities/hardware.py |
hms_string |
3 |
3 |
0 |
0% |
| gpaw/utilities/hardware.py |
hms_string.extend10 |
3 |
3 |
0 |
0% |
| gpaw/utilities/hardware.py |
ComputeCluster.__init__ |
17 |
17 |
0 |
0% |
| gpaw/utilities/hardware.py |
ComputeCluster.__init__.get_hostname |
11 |
11 |
0 |
0% |
| gpaw/utilities/hardware.py |
ComputeCluster.__init__.has_key_regexp |
4 |
4 |
0 |
0% |
| gpaw/utilities/hardware.py |
ComputeCluster.list_architectures |
4 |
4 |
0 |
0% |
| gpaw/utilities/hardware.py |
ComputeCluster.write |
38 |
38 |
0 |
0% |
| gpaw/utilities/hardware.py |
(no function) |
12 |
0 |
0 |
100% |
| gpaw/utilities/hilbert.py |
hilbert_kernel_simple |
4 |
4 |
0 |
0% |
| gpaw/utilities/hilbert.py |
hilbert_kernel_interpolate |
7 |
7 |
0 |
0% |
| gpaw/utilities/hilbert.py |
hilbert |
15 |
15 |
0 |
0% |
| gpaw/utilities/hilbert.py |
analytic_transforms |
3 |
3 |
0 |
0% |
| gpaw/utilities/hilbert.py |
(no function) |
7 |
0 |
0 |
100% |
| gpaw/utilities/jth.py |
(no function) |
10 |
6 |
0 |
40% |
| gpaw/utilities/kspot.py |
get_scaled_positions |
5 |
1 |
0 |
80% |
| gpaw/utilities/kspot.py |
AllElectronPotential.__init__ |
1 |
0 |
0 |
100% |
| gpaw/utilities/kspot.py |
AllElectronPotential.write_spherical_ks_potentials |
10 |
0 |
0 |
100% |
| gpaw/utilities/kspot.py |
AllElectronPotential.grid_to_radial |
14 |
0 |
0 |
100% |
| gpaw/utilities/kspot.py |
AllElectronPotential.get_spherical_ks_potential |
40 |
3 |
0 |
92% |
| gpaw/utilities/kspot.py |
CoreEigenvalues.get_core_eigenvalues |
28 |
0 |
0 |
100% |
| gpaw/utilities/kspot.py |
CoreEigenvalues.get_core_eigenvalues.t |
1 |
0 |
0 |
100% |
| gpaw/utilities/kspot.py |
(no function) |
13 |
0 |
0 |
100% |
| gpaw/utilities/mblas.py |
multi_axpy_cpu |
2 |
0 |
0 |
100% |
| gpaw/utilities/mblas.py |
multi_axpy |
9 |
5 |
0 |
44% |
| gpaw/utilities/mblas.py |
(no function) |
6 |
0 |
0 |
100% |
| gpaw/utilities/memory.py |
_VmB |
11 |
3 |
0 |
73% |
| gpaw/utilities/memory.py |
maxrss |
14 |
10 |
0 |
29% |
| gpaw/utilities/memory.py |
MemNode.__init__ |
5 |
0 |
0 |
100% |
| gpaw/utilities/memory.py |
MemNode.write |
5 |
0 |
0 |
100% |
| gpaw/utilities/memory.py |
MemNode.memformat |
1 |
0 |
0 |
100% |
| gpaw/utilities/memory.py |
MemNode.calculate_size |
4 |
0 |
0 |
100% |
| gpaw/utilities/memory.py |
MemNode.subnode |
4 |
0 |
0 |
100% |
| gpaw/utilities/memory.py |
MemNode.setsize |
1 |
0 |
0 |
100% |
| gpaw/utilities/memory.py |
monkey_patch_timer |
12 |
12 |
0 |
0% |
| gpaw/utilities/memory.py |
monkey_patch_timer.init |
4 |
4 |
0 |
0% |
| gpaw/utilities/memory.py |
monkey_patch_timer.start |
3 |
3 |
0 |
0% |
| gpaw/utilities/memory.py |
monkey_patch_timer.stop |
3 |
3 |
0 |
0% |
| gpaw/utilities/memory.py |
(no function) |
17 |
0 |
0 |
100% |
| gpaw/utilities/nbrun.py |
py2ipynb |
29 |
29 |
0 |
0% |
| gpaw/utilities/nbrun.py |
(no function) |
7 |
1 |
0 |
86% |
| gpaw/utilities/newrelease.py |
runcmd |
11 |
11 |
0 |
0% |
| gpaw/utilities/newrelease.py |
py |
1 |
1 |
0 |
0% |
| gpaw/utilities/newrelease.py |
py2 |
1 |
1 |
0 |
0% |
| gpaw/utilities/newrelease.py |
git |
2 |
2 |
0 |
0% |
| gpaw/utilities/newrelease.py |
get_version |
2 |
2 |
0 |
0% |
| gpaw/utilities/newrelease.py |
main |
122 |
122 |
0 |
0% |
| gpaw/utilities/newrelease.py |
main.update_version |
14 |
14 |
0 |
0% |
| gpaw/utilities/newrelease.py |
(no function) |
14 |
1 |
0 |
93% |
| gpaw/utilities/partition.py |
to_parent_comm |
8 |
0 |
0 |
100% |
| gpaw/utilities/partition.py |
AtomicMatrixDistributor.__init__ |
6 |
1 |
0 |
83% |
| gpaw/utilities/partition.py |
AtomicMatrixDistributor.distribute |
7 |
1 |
0 |
86% |
| gpaw/utilities/partition.py |
AtomicMatrixDistributor.collect |
12 |
2 |
0 |
83% |
| gpaw/utilities/partition.py |
EvenPartitioning.__init__ |
6 |
0 |
0 |
100% |
| gpaw/utilities/partition.py |
EvenPartitioning.nlocal |
5 |
5 |
0 |
0% |
| gpaw/utilities/partition.py |
EvenPartitioning.minmax |
8 |
8 |
0 |
0% |
| gpaw/utilities/partition.py |
EvenPartitioning.slice |
2 |
2 |
0 |
0% |
| gpaw/utilities/partition.py |
EvenPartitioning.global2local |
5 |
2 |
0 |
60% |
| gpaw/utilities/partition.py |
EvenPartitioning.local2global |
3 |
3 |
0 |
0% |
| gpaw/utilities/partition.py |
EvenPartitioning.as_atom_partition |
6 |
3 |
0 |
50% |
| gpaw/utilities/partition.py |
EvenPartitioning.get_description |
6 |
6 |
0 |
0% |
| gpaw/utilities/partition.py |
Redistributable.get_recvbuffer |
1 |
1 |
0 |
0% |
| gpaw/utilities/partition.py |
Redistributable.get_sendbuffer |
1 |
1 |
0 |
0% |
| gpaw/utilities/partition.py |
Redistributable.assign |
1 |
1 |
0 |
0% |
| gpaw/utilities/partition.py |
general_redistribute |
12 |
5 |
0 |
58% |
| gpaw/utilities/partition.py |
AtomPartition.__init__ |
5 |
0 |
0 |
100% |
| gpaw/utilities/partition.py |
AtomPartition.__eq__ |
3 |
1 |
0 |
67% |
| gpaw/utilities/partition.py |
AtomPartition.__ne__ |
1 |
0 |
0 |
100% |
| gpaw/utilities/partition.py |
AtomPartition.as_serial |
1 |
0 |
0 |
100% |
| gpaw/utilities/partition.py |
AtomPartition.get_indices |
1 |
0 |
0 |
100% |
| gpaw/utilities/partition.py |
AtomPartition.as_even_partition |
2 |
0 |
0 |
100% |
| gpaw/utilities/partition.py |
AtomPartition.redistribute |
24 |
12 |
0 |
50% |
| gpaw/utilities/partition.py |
AtomPartition.redistribute.Redist.get_recvbuffer |
1 |
1 |
0 |
0% |
| gpaw/utilities/partition.py |
AtomPartition.redistribute.Redist.assign |
3 |
3 |
0 |
0% |
| gpaw/utilities/partition.py |
AtomPartition.redistribute.Redist.get_sendbuffer |
1 |
1 |
0 |
0% |
| gpaw/utilities/partition.py |
AtomPartition.__repr__ |
2 |
2 |
0 |
0% |
| gpaw/utilities/partition.py |
AtomPartition.arraydict |
1 |
0 |
0 |
100% |
| gpaw/utilities/partition.py |
(no function) |
31 |
0 |
0 |
100% |
| gpaw/utilities/progressbar.py |
ProgressBar.__init__ |
11 |
2 |
0 |
82% |
| gpaw/utilities/progressbar.py |
ProgressBar.update |
43 |
20 |
0 |
53% |
| gpaw/utilities/progressbar.py |
ProgressBar.format_time |
3 |
0 |
0 |
100% |
| gpaw/utilities/progressbar.py |
ProgressBar.finish |
1 |
0 |
0 |
100% |
| gpaw/utilities/progressbar.py |
ProgressBar.enumerate |
4 |
0 |
0 |
100% |
| gpaw/utilities/progressbar.py |
test |
8 |
8 |
0 |
0% |
| gpaw/utilities/progressbar.py |
(no function) |
14 |
1 |
0 |
93% |
| gpaw/utilities/ps2ae.py |
Interpolator.__init__ |
2 |
0 |
0 |
100% |
| gpaw/utilities/ps2ae.py |
Interpolator.interpolate |
1 |
0 |
0 |
100% |
| gpaw/utilities/ps2ae.py |
PS2AE.__init__ |
12 |
2 |
0 |
83% |
| gpaw/utilities/ps2ae.py |
PS2AE.dphi |
18 |
0 |
0 |
100% |
| gpaw/utilities/ps2ae.py |
PS2AE.get_wave_function |
25 |
1 |
0 |
96% |
| gpaw/utilities/ps2ae.py |
PS2AE.get_pseudo_density |
16 |
0 |
0 |
100% |
| gpaw/utilities/ps2ae.py |
PS2AE.get_electrostatic_potential |
8 |
8 |
0 |
0% |
| gpaw/utilities/ps2ae.py |
PS2AE.add_potential_correction |
29 |
29 |
0 |
0% |
| gpaw/utilities/ps2ae.py |
interpolate_weight |
12 |
12 |
0 |
0% |
| gpaw/utilities/ps2ae.py |
(no function) |
29 |
0 |
0 |
100% |
| gpaw/utilities/pw.py |
kinetic_energies |
12 |
12 |
0 |
0% |
| gpaw/utilities/pw.py |
(no function) |
3 |
0 |
0 |
100% |
| gpaw/utilities/scalapack.py |
scalapack_tri2full |
4 |
0 |
0 |
100% |
| gpaw/utilities/scalapack.py |
scalapack_zero |
6 |
1 |
0 |
83% |
| gpaw/utilities/scalapack.py |
scalapack_set |
9 |
1 |
0 |
89% |
| gpaw/utilities/scalapack.py |
scalapack_diagonalize_dc |
10 |
2 |
0 |
80% |
| gpaw/utilities/scalapack.py |
scalapack_diagonalize_ex |
13 |
2 |
0 |
85% |
| gpaw/utilities/scalapack.py |
scalapack_diagonalize_mr3 |
13 |
13 |
0 |
0% |
| gpaw/utilities/scalapack.py |
scalapack_general_diagonalize_dc |
11 |
2 |
0 |
82% |
| gpaw/utilities/scalapack.py |
scalapack_general_diagonalize_ex |
14 |
14 |
0 |
0% |
| gpaw/utilities/scalapack.py |
scalapack_general_diagonalize_mr3 |
14 |
14 |
0 |
0% |
| gpaw/utilities/scalapack.py |
have_mkl |
1 |
0 |
0 |
100% |
| gpaw/utilities/scalapack.py |
mkl_scalapack_diagonalize_non_symmetric |
16 |
16 |
0 |
0% |
| gpaw/utilities/scalapack.py |
scalapack_inverse_cholesky |
8 |
2 |
0 |
75% |
| gpaw/utilities/scalapack.py |
scalapack_inverse |
8 |
2 |
0 |
75% |
| gpaw/utilities/scalapack.py |
scalapack_solve |
11 |
2 |
0 |
82% |
| gpaw/utilities/scalapack.py |
pblas_tran |
5 |
0 |
0 |
100% |
| gpaw/utilities/scalapack.py |
_pblas_hemm_symm |
16 |
1 |
0 |
94% |
| gpaw/utilities/scalapack.py |
pblas_hemm |
1 |
0 |
0 |
100% |
| gpaw/utilities/scalapack.py |
pblas_symm |
1 |
0 |
0 |
100% |
| gpaw/utilities/scalapack.py |
pblas_gemm |
17 |
1 |
0 |
94% |
| gpaw/utilities/scalapack.py |
pblas_simple_gemm |
3 |
0 |
0 |
100% |
| gpaw/utilities/scalapack.py |
pblas_simple_hemm |
3 |
0 |
0 |
100% |
| gpaw/utilities/scalapack.py |
pblas_simple_symm |
3 |
0 |
0 |
100% |
| gpaw/utilities/scalapack.py |
pblas_gemv |
20 |
1 |
0 |
95% |
| gpaw/utilities/scalapack.py |
pblas_simple_gemv |
3 |
0 |
0 |
100% |
| gpaw/utilities/scalapack.py |
pblas_r2k |
11 |
1 |
0 |
91% |
| gpaw/utilities/scalapack.py |
pblas_simple_r2k |
3 |
0 |
0 |
100% |
| gpaw/utilities/scalapack.py |
pblas_rk |
9 |
1 |
0 |
89% |
| gpaw/utilities/scalapack.py |
pblas_simple_rk |
3 |
0 |
0 |
100% |
| gpaw/utilities/scalapack.py |
(no function) |
32 |
0 |
0 |
100% |
| gpaw/utilities/sic.py |
NSCFSIC.__init__ |
2 |
0 |
0 |
100% |
| gpaw/utilities/sic.py |
NSCFSIC.calculate |
44 |
0 |
0 |
100% |
| gpaw/utilities/sic.py |
(no function) |
11 |
0 |
0 |
100% |
| gpaw/utilities/timelimit.py |
time_to_seconds |
16 |
14 |
0 |
12% |
| gpaw/utilities/timelimit.py |
TimeLimiter.__init__ |
12 |
1 |
0 |
92% |
| gpaw/utilities/timelimit.py |
TimeLimiter.reset |
8 |
1 |
0 |
88% |
| gpaw/utilities/timelimit.py |
TimeLimiter.update |
20 |
1 |
0 |
95% |
| gpaw/utilities/timelimit.py |
TimeLimiter.eta |
17 |
2 |
0 |
88% |
| gpaw/utilities/timelimit.py |
TimeLimiter.has_time |
11 |
1 |
0 |
91% |
| gpaw/utilities/timelimit.py |
TimeLimiter.__del__ |
2 |
0 |
0 |
100% |
| gpaw/utilities/timelimit.py |
(no function) |
13 |
0 |
0 |
100% |
| gpaw/utilities/timing.py |
NullTimer.__init__ |
1 |
0 |
0 |
100% |
| gpaw/utilities/timing.py |
NullTimer.print_info |
1 |
1 |
0 |
0% |
| gpaw/utilities/timing.py |
NullTimer.start |
1 |
0 |
0 |
100% |
| gpaw/utilities/timing.py |
NullTimer.stop |
1 |
0 |
0 |
100% |
| gpaw/utilities/timing.py |
NullTimer.get_time |
1 |
1 |
0 |
0% |
| gpaw/utilities/timing.py |
NullTimer.write |
1 |
1 |
0 |
0% |
| gpaw/utilities/timing.py |
NullTimer.write_now |
1 |
1 |
0 |
0% |
| gpaw/utilities/timing.py |
NullTimer.add |
1 |
1 |
0 |
0% |
| gpaw/utilities/timing.py |
NullTimer.__call__ |
1 |
0 |
0 |
100% |
| gpaw/utilities/timing.py |
NullTimer.__enter__ |
1 |
0 |
0 |
100% |
| gpaw/utilities/timing.py |
NullTimer.__exit__ |
1 |
0 |
0 |
100% |
| gpaw/utilities/timing.py |
DebugTimer.__init__ |
4 |
4 |
0 |
0% |
| gpaw/utilities/timing.py |
DebugTimer.start |
4 |
4 |
0 |
0% |
| gpaw/utilities/timing.py |
DebugTimer.stop |
6 |
6 |
0 |
0% |
| gpaw/utilities/timing.py |
GPUEvent.__init__ |
6 |
6 |
0 |
0% |
| gpaw/utilities/timing.py |
GPUEvent.stop |
1 |
1 |
0 |
0% |
| gpaw/utilities/timing.py |
GPUEvent.get_time |
2 |
2 |
0 |
0% |
| gpaw/utilities/timing.py |
GPUTimerBase.__init__ |
5 |
5 |
0 |
0% |
| gpaw/utilities/timing.py |
GPUTimerBase.gpu_start |
1 |
1 |
0 |
0% |
| gpaw/utilities/timing.py |
GPUTimerBase.gpu_stop |
5 |
5 |
0 |
0% |
| gpaw/utilities/timing.py |
GPUTimerBase.handle_events |
8 |
8 |
0 |
0% |
| gpaw/utilities/timing.py |
GPUTimerBase.handle_event_hook |
1 |
1 |
0 |
0% |
| gpaw/utilities/timing.py |
GPUTimerBase.gpu_write |
7 |
7 |
0 |
0% |
| gpaw/utilities/timing.py |
GPUTimer.__init__ |
2 |
2 |
0 |
0% |
| gpaw/utilities/timing.py |
GPUTimer.start |
2 |
2 |
0 |
0% |
| gpaw/utilities/timing.py |
GPUTimer.stop |
2 |
2 |
0 |
0% |
| gpaw/utilities/timing.py |
GPUTimer.write |
4 |
4 |
0 |
0% |
| gpaw/utilities/timing.py |
ranktxt |
3 |
3 |
0 |
0% |
| gpaw/utilities/timing.py |
ParallelTimer.__init__ |
4 |
4 |
0 |
0% |
| gpaw/utilities/timing.py |
ParallelTimer.print_info |
12 |
12 |
0 |
0% |
| gpaw/utilities/timing.py |
Profiler.__init__ |
11 |
11 |
0 |
0% |
| gpaw/utilities/timing.py |
Profiler.synchronize |
5 |
5 |
0 |
0% |
| gpaw/utilities/timing.py |
Profiler.finish_trace |
13 |
13 |
0 |
0% |
| gpaw/utilities/timing.py |
Profiler.start |
2 |
2 |
0 |
0% |
| gpaw/utilities/timing.py |
Profiler.stop |
4 |
4 |
0 |
0% |
| gpaw/utilities/timing.py |
GPUProfiler.__init__ |
2 |
2 |
0 |
0% |
| gpaw/utilities/timing.py |
GPUProfiler.synchronize |
13 |
13 |
0 |
0% |
| gpaw/utilities/timing.py |
GPUProfiler.start |
3 |
3 |
0 |
0% |
| gpaw/utilities/timing.py |
GPUProfiler.stop |
3 |
3 |
0 |
0% |
| gpaw/utilities/timing.py |
GPUProfiler.handle_event_hook |
6 |
6 |
0 |
0% |
| gpaw/utilities/timing.py |
GPUProfiler.handle_event_hook.get_time |
2 |
2 |
0 |
0% |
| gpaw/utilities/timing.py |
HPMTimer.__init__ |
5 |
5 |
0 |
0% |
| gpaw/utilities/timing.py |
HPMTimer.start |
3 |
3 |
0 |
0% |
| gpaw/utilities/timing.py |
HPMTimer.stop |
3 |
3 |
0 |
0% |
| gpaw/utilities/timing.py |
HPMTimer.write |
2 |
2 |
0 |
0% |
| gpaw/utilities/timing.py |
CrayPAT_timer.__init__ |
6 |
6 |
0 |
0% |
| gpaw/utilities/timing.py |
CrayPAT_timer.start |
7 |
7 |
0 |
0% |
| gpaw/utilities/timing.py |
CrayPAT_timer.stop |
3 |
3 |
0 |
0% |
| gpaw/utilities/timing.py |
(no function) |
66 |
0 |
0 |
100% |
| gpaw/utilities/tools.py |
split_formula |
8 |
0 |
0 |
100% |
| gpaw/utilities/tools.py |
construct_reciprocal |
20 |
0 |
0 |
100% |
| gpaw/utilities/tools.py |
coordinates |
7 |
0 |
0 |
100% |
| gpaw/utilities/tools.py |
pick |
5 |
3 |
0 |
40% |
| gpaw/utilities/tools.py |
dagger |
6 |
4 |
0 |
33% |
| gpaw/utilities/tools.py |
project |
1 |
1 |
0 |
0% |
| gpaw/utilities/tools.py |
normalize |
2 |
2 |
0 |
0% |
| gpaw/utilities/tools.py |
gram_schmidt |
4 |
4 |
0 |
0% |
| gpaw/utilities/tools.py |
lowdin |
5 |
5 |
0 |
0% |
| gpaw/utilities/tools.py |
symmetrize |
3 |
0 |
0 |
100% |
| gpaw/utilities/tools.py |
tri2full |
6 |
0 |
0 |
100% |
| gpaw/utilities/tools.py |
cutoff2gridspacing |
1 |
1 |
0 |
0% |
| gpaw/utilities/tools.py |
(no function) |
14 |
0 |
0 |
100% |
| gpaw/utilities/urlcheck.py |
check |
11 |
11 |
0 |
0% |
| gpaw/utilities/urlcheck.py |
check1 |
14 |
14 |
0 |
0% |
| gpaw/utilities/urlcheck.py |
test |
2 |
2 |
0 |
0% |
| gpaw/utilities/urlcheck.py |
(no function) |
14 |
3 |
0 |
79% |
| gpaw/utilities/watermodel.py |
TIP3PWaterModel.calculate |
28 |
4 |
0 |
86% |
| gpaw/utilities/watermodel.py |
FixBondLengthsWaterModel.__init__ |
1 |
0 |
0 |
100% |
| gpaw/utilities/watermodel.py |
FixBondLengthsWaterModel.initialize_bond_lengths |
14 |
0 |
0 |
100% |
| gpaw/utilities/watermodel.py |
FixBondLengthsWaterModel.select_indices |
1 |
0 |
0 |
100% |
| gpaw/utilities/watermodel.py |
FixBondLengthsWaterModel.adjust_positions |
4 |
1 |
0 |
75% |
| gpaw/utilities/watermodel.py |
FixBondLengthsWaterModel.adjust_momenta |
4 |
0 |
0 |
100% |
| gpaw/utilities/watermodel.py |
FixBondLengthsWaterModel.index_shuffle |
1 |
1 |
0 |
0% |
| gpaw/utilities/watermodel.py |
(no function) |
17 |
0 |
0 |
100% |
| gpaw/wannier/__init__.py |
(no function) |
2 |
0 |
0 |
100% |
| gpaw/wannier/edmiston_ruedenberg.py |
localize |
22 |
2 |
0 |
91% |
| gpaw/wannier/edmiston_ruedenberg.py |
(no function) |
17 |
9 |
0 |
47% |
| gpaw/wannier/functions.py |
WannierFunctions.__init__ |
6 |
0 |
0 |
100% |
| gpaw/wannier/functions.py |
WannierFunctions.centers_as_atoms |
1 |
0 |
0 |
100% |
| gpaw/wannier/functions.py |
WannierFunctions.get_function |
4 |
4 |
0 |
0% |
| gpaw/wannier/functions.py |
(no function) |
7 |
0 |
0 |
100% |
| gpaw/wannier/overlaps.py |
WannierOverlaps.__init__ |
13 |
0 |
0 |
100% |
| gpaw/wannier/overlaps.py |
WannierOverlaps.overlap |
10 |
0 |
0 |
100% |
| gpaw/wannier/overlaps.py |
WannierOverlaps.localize_er |
2 |
0 |
0 |
100% |
| gpaw/wannier/overlaps.py |
WannierOverlaps.localize_w90 |
5 |
0 |
0 |
100% |
| gpaw/wannier/overlaps.py |
dict_to_proj_indices |
11 |
0 |
0 |
100% |
| gpaw/wannier/overlaps.py |
calculate_overlaps |
48 |
1 |
0 |
98% |
| gpaw/wannier/overlaps.py |
find_directions |
11 |
0 |
0 |
100% |
| gpaw/wannier/overlaps.py |
WaveFunction.__init__ |
2 |
0 |
0 |
100% |
| gpaw/wannier/overlaps.py |
WaveFunction.redistribute_atoms |
3 |
0 |
0 |
100% |
| gpaw/wannier/overlaps.py |
BZRealSpaceWaveFunctions.__init__ |
3 |
0 |
0 |
100% |
| gpaw/wannier/overlaps.py |
BZRealSpaceWaveFunctions.__getitem__ |
1 |
0 |
0 |
100% |
| gpaw/wannier/overlaps.py |
BZRealSpaceWaveFunctions.from_calculation |
28 |
1 |
0 |
96% |
| gpaw/wannier/overlaps.py |
(no function) |
28 |
0 |
0 |
100% |
| gpaw/wannier/w90.py |
Wannier90.__init__ |
4 |
0 |
0 |
100% |
| gpaw/wannier/w90.py |
Wannier90.run_wannier90 |
6 |
2 |
0 |
67% |
| gpaw/wannier/w90.py |
Wannier90.write_input_files |
4 |
0 |
0 |
100% |
| gpaw/wannier/w90.py |
Wannier90.write_win |
23 |
0 |
0 |
100% |
| gpaw/wannier/w90.py |
Wannier90.write_mmn |
20 |
0 |
0 |
100% |
| gpaw/wannier/w90.py |
Wannier90.write_amn |
8 |
0 |
0 |
100% |
| gpaw/wannier/w90.py |
Wannier90.read_result |
3 |
0 |
0 |
100% |
| gpaw/wannier/w90.py |
Wannier90Functions.__init__ |
1 |
0 |
0 |
100% |
| gpaw/wannier/w90.py |
read_wout_all |
38 |
3 |
0 |
92% |
| gpaw/wannier/w90.py |
(no function) |
20 |
0 |
0 |
100% |
| gpaw/wannier90.py |
Wannier90.__init__ |
31 |
2 |
0 |
94% |
| gpaw/wannier90.py |
Wannier90.write_input |
117 |
38 |
0 |
68% |
| gpaw/wannier90.py |
Wannier90.write_projections |
71 |
9 |
0 |
87% |
| gpaw/wannier90.py |
Wannier90.write_eigenvalues |
15 |
0 |
0 |
100% |
| gpaw/wannier90.py |
Wannier90.write_overlaps |
63 |
3 |
0 |
95% |
| gpaw/wannier90.py |
Wannier90.write_wavefunctions |
26 |
3 |
0 |
88% |
| gpaw/wannier90.py |
Wannier90.wavefunctions |
7 |
0 |
0 |
100% |
| gpaw/wannier90.py |
get_bands |
16 |
4 |
0 |
75% |
| gpaw/wannier90.py |
get_projections_in_bz |
7 |
0 |
0 |
100% |
| gpaw/wannier90.py |
read_umat |
22 |
1 |
0 |
95% |
| gpaw/wannier90.py |
read_uwan |
9 |
4 |
0 |
56% |
| gpaw/wannier90.py |
(no function) |
16 |
0 |
0 |
100% |
| gpaw/wavefunctions/arrays.py |
MatrixInFile.__init__ |
4 |
0 |
0 |
100% |
| gpaw/wavefunctions/arrays.py |
ArrayWaveFunctions.__init__ |
10 |
0 |
0 |
100% |
| gpaw/wavefunctions/arrays.py |
ArrayWaveFunctions.__len__ |
1 |
0 |
0 |
100% |
| gpaw/wavefunctions/arrays.py |
ArrayWaveFunctions.multiply |
6 |
2 |
0 |
67% |
| gpaw/wavefunctions/arrays.py |
ArrayWaveFunctions.matrix_elements |
15 |
0 |
0 |
100% |
| gpaw/wavefunctions/arrays.py |
ArrayWaveFunctions.add |
1 |
0 |
0 |
100% |
| gpaw/wavefunctions/arrays.py |
ArrayWaveFunctions.apply |
3 |
0 |
0 |
100% |
| gpaw/wavefunctions/arrays.py |
ArrayWaveFunctions.__setitem__ |
1 |
0 |
0 |
100% |
| gpaw/wavefunctions/arrays.py |
ArrayWaveFunctions.__iadd__ |
2 |
2 |
0 |
0% |
| gpaw/wavefunctions/arrays.py |
ArrayWaveFunctions.eval |
1 |
0 |
0 |
100% |
| gpaw/wavefunctions/arrays.py |
ArrayWaveFunctions.read_from_file |
15 |
1 |
0 |
93% |
| gpaw/wavefunctions/arrays.py |
UniformGridWaveFunctions.__init__ |
11 |
0 |
0 |
100% |
| gpaw/wavefunctions/arrays.py |
UniformGridWaveFunctions.array |
3 |
0 |
0 |
100% |
| gpaw/wavefunctions/arrays.py |
UniformGridWaveFunctions._distribute |
1 |
0 |
0 |
100% |
| gpaw/wavefunctions/arrays.py |
UniformGridWaveFunctions.__repr__ |
4 |
4 |
0 |
0% |
| gpaw/wavefunctions/arrays.py |
UniformGridWaveFunctions.new |
3 |
0 |
0 |
100% |
| gpaw/wavefunctions/arrays.py |
UniformGridWaveFunctions.view |
1 |
0 |
0 |
100% |
| gpaw/wavefunctions/arrays.py |
UniformGridWaveFunctions.plot |
5 |
5 |
0 |
0% |
| gpaw/wavefunctions/arrays.py |
PlaneWaveExpansionWaveFunctions.__init__ |
17 |
0 |
0 |
100% |
| gpaw/wavefunctions/arrays.py |
PlaneWaveExpansionWaveFunctions.array |
5 |
0 |
0 |
100% |
| gpaw/wavefunctions/arrays.py |
PlaneWaveExpansionWaveFunctions._distribute |
9 |
3 |
0 |
67% |
| gpaw/wavefunctions/arrays.py |
PlaneWaveExpansionWaveFunctions.matrix_elements |
22 |
0 |
0 |
100% |
| gpaw/wavefunctions/arrays.py |
PlaneWaveExpansionWaveFunctions.new |
7 |
0 |
0 |
100% |
| gpaw/wavefunctions/arrays.py |
PlaneWaveExpansionWaveFunctions.view |
1 |
0 |
0 |
100% |
| gpaw/wavefunctions/arrays.py |
operate_and_multiply |
64 |
27 |
0 |
58% |
| gpaw/wavefunctions/arrays.py |
operate_and_multiply_not_symmetric |
36 |
12 |
0 |
67% |
| gpaw/wavefunctions/arrays.py |
(no function) |
34 |
0 |
0 |
100% |
| gpaw/wavefunctions/base.py |
WaveFunctions.__init__ |
20 |
0 |
0 |
100% |
| gpaw/wavefunctions/base.py |
WaveFunctions.fermi_level |
2 |
0 |
0 |
100% |
| gpaw/wavefunctions/base.py |
WaveFunctions.summary |
16 |
1 |
0 |
94% |
| gpaw/wavefunctions/base.py |
WaveFunctions.set_setups |
1 |
0 |
0 |
100% |
| gpaw/wavefunctions/base.py |
WaveFunctions.set_eigensolver |
1 |
0 |
0 |
100% |
| gpaw/wavefunctions/base.py |
WaveFunctions.add_realspace_orbital_to_density |
5 |
0 |
0 |
100% |
| gpaw/wavefunctions/base.py |
WaveFunctions.add_orbital_density |
1 |
0 |
0 |
100% |
| gpaw/wavefunctions/base.py |
WaveFunctions.calculate_band_energy |
8 |
0 |
0 |
100% |
| gpaw/wavefunctions/base.py |
WaveFunctions.calculate_density_contribution |
8 |
0 |
0 |
100% |
| gpaw/wavefunctions/base.py |
WaveFunctions.add_to_density_from_k_point |
1 |
0 |
0 |
100% |
| gpaw/wavefunctions/base.py |
WaveFunctions.get_orbital_density_matrix |
6 |
6 |
0 |
0% |
| gpaw/wavefunctions/base.py |
WaveFunctions.calculate_atomic_density_matrices_k_point |
20 |
6 |
0 |
70% |
| gpaw/wavefunctions/base.py |
WaveFunctions.calculate_atomic_density_matrices |
2 |
0 |
0 |
100% |
| gpaw/wavefunctions/base.py |
WaveFunctions.calculate_atomic_density_matrices_with_occupation |
10 |
0 |
0 |
100% |
| gpaw/wavefunctions/base.py |
WaveFunctions.symmetrize_atomic_density_matrices |
5 |
1 |
0 |
80% |
| gpaw/wavefunctions/base.py |
WaveFunctions.calculate_occupation_numbers |
9 |
0 |
0 |
100% |
| gpaw/wavefunctions/base.py |
WaveFunctions.set_positions |
14 |
0 |
0 |
100% |
| gpaw/wavefunctions/base.py |
WaveFunctions.allocate_arrays_for_projections |
5 |
0 |
0 |
100% |
| gpaw/wavefunctions/base.py |
WaveFunctions.collect_eigenvalues |
1 |
0 |
0 |
100% |
| gpaw/wavefunctions/base.py |
WaveFunctions.collect_occupations |
1 |
0 |
0 |
100% |
| gpaw/wavefunctions/base.py |
WaveFunctions.collect_array |
24 |
15 |
0 |
38% |
| gpaw/wavefunctions/base.py |
WaveFunctions.collect_auxiliary |
17 |
17 |
0 |
0% |
| gpaw/wavefunctions/base.py |
WaveFunctions.collect_projections |
15 |
9 |
0 |
40% |
| gpaw/wavefunctions/base.py |
WaveFunctions.get_wave_function_array |
20 |
10 |
0 |
50% |
| gpaw/wavefunctions/base.py |
WaveFunctions.get_homo_lumo |
30 |
0 |
0 |
100% |
| gpaw/wavefunctions/base.py |
WaveFunctions.write |
6 |
0 |
0 |
100% |
| gpaw/wavefunctions/base.py |
WaveFunctions.write_projections |
11 |
0 |
0 |
100% |
| gpaw/wavefunctions/base.py |
WaveFunctions.write_eigenvalues |
7 |
0 |
0 |
100% |
| gpaw/wavefunctions/base.py |
WaveFunctions.write_occupations |
8 |
0 |
0 |
100% |
| gpaw/wavefunctions/base.py |
WaveFunctions.read |
22 |
7 |
0 |
68% |
| gpaw/wavefunctions/base.py |
WaveFunctions.read_projections |
13 |
0 |
0 |
100% |
| gpaw/wavefunctions/base.py |
WaveFunctions.read_eigenvalues |
12 |
1 |
0 |
92% |
| gpaw/wavefunctions/base.py |
WaveFunctions.read_occupations |
12 |
1 |
0 |
92% |
| gpaw/wavefunctions/base.py |
WaveFunctions.summary_func |
107 |
42 |
0 |
61% |
| gpaw/wavefunctions/base.py |
eigenvalue_string |
54 |
0 |
0 |
100% |
| gpaw/wavefunctions/base.py |
eigenvalue_string.add |
3 |
0 |
0 |
100% |
| gpaw/wavefunctions/base.py |
eigenvalue_string.eigs |
2 |
0 |
0 |
100% |
| gpaw/wavefunctions/base.py |
eigenvalue_string.occs |
2 |
0 |
0 |
100% |
| gpaw/wavefunctions/base.py |
(no function) |
43 |
0 |
0 |
100% |
| gpaw/wavefunctions/fd.py |
FD.__init__ |
3 |
0 |
0 |
100% |
| gpaw/wavefunctions/fd.py |
FD.__call__ |
1 |
0 |
0 |
100% |
| gpaw/wavefunctions/fd.py |
FD.todict |
4 |
0 |
0 |
100% |
| gpaw/wavefunctions/fd.py |
FDWaveFunctions.__init__ |
4 |
0 |
0 |
100% |
| gpaw/wavefunctions/fd.py |
FDWaveFunctions.empty |
1 |
0 |
0 |
100% |
| gpaw/wavefunctions/fd.py |
FDWaveFunctions.integrate |
1 |
0 |
0 |
100% |
| gpaw/wavefunctions/fd.py |
FDWaveFunctions.bytes_per_wave_function |
1 |
0 |
0 |
100% |
| gpaw/wavefunctions/fd.py |
FDWaveFunctions.set_setups |
2 |
0 |
0 |
100% |
| gpaw/wavefunctions/fd.py |
FDWaveFunctions.set_positions |
1 |
0 |
0 |
100% |
| gpaw/wavefunctions/fd.py |
FDWaveFunctions.__str__ |
3 |
0 |
0 |
100% |
| gpaw/wavefunctions/fd.py |
FDWaveFunctions.make_preconditioner |
1 |
0 |
0 |
100% |
| gpaw/wavefunctions/fd.py |
FDWaveFunctions.apply_pseudo_hamiltonian |
5 |
0 |
0 |
100% |
| gpaw/wavefunctions/fd.py |
FDWaveFunctions.get_pseudo_partial_waves |
2 |
0 |
0 |
100% |
| gpaw/wavefunctions/fd.py |
FDWaveFunctions.add_to_density_from_k_point_with_occupation |
12 |
8 |
0 |
33% |
| gpaw/wavefunctions/fd.py |
FDWaveFunctions.calculate_kinetic_energy_density |
16 |
0 |
0 |
100% |
| gpaw/wavefunctions/fd.py |
FDWaveFunctions.apply_mgga_orbital_dependent_hamiltonian |
6 |
0 |
0 |
100% |
| gpaw/wavefunctions/fd.py |
FDWaveFunctions.ibz2bz |
36 |
0 |
0 |
100% |
| gpaw/wavefunctions/fd.py |
FDWaveFunctions._get_wave_function_array |
7 |
0 |
0 |
100% |
| gpaw/wavefunctions/fd.py |
FDWaveFunctions.write |
9 |
0 |
0 |
100% |
| gpaw/wavefunctions/fd.py |
FDWaveFunctions.read |
17 |
5 |
0 |
71% |
| gpaw/wavefunctions/fd.py |
FDWaveFunctions.initialize_from_lcao_coefficients |
6 |
0 |
0 |
100% |
| gpaw/wavefunctions/fd.py |
FDWaveFunctions.random_wave_functions |
40 |
21 |
0 |
48% |
| gpaw/wavefunctions/fd.py |
FDWaveFunctions.estimate_memory |
1 |
0 |
0 |
100% |
| gpaw/wavefunctions/fd.py |
(no function) |
42 |
0 |
0 |
100% |
| gpaw/wavefunctions/fdpw.py |
NullWfsMover.initialize |
1 |
0 |
0 |
100% |
| gpaw/wavefunctions/fdpw.py |
NullWfsMover.cut_wfs |
1 |
0 |
0 |
100% |
| gpaw/wavefunctions/fdpw.py |
PseudoPartialWaveWfsMover.initialize |
1 |
0 |
0 |
100% |
| gpaw/wavefunctions/fdpw.py |
PseudoPartialWaveWfsMover.cut_wfs |
13 |
0 |
0 |
100% |
| gpaw/wavefunctions/fdpw.py |
PseudoPartialWaveWfsMover.cut_wfs.add_phit_to_wfs |
7 |
0 |
0 |
100% |
| gpaw/wavefunctions/fdpw.py |
PseudoPartialWaveWfsMover.cut_wfs.paste |
2 |
0 |
0 |
100% |
| gpaw/wavefunctions/fdpw.py |
LCAOWfsMover.initialize |
3 |
0 |
0 |
100% |
| gpaw/wavefunctions/fdpw.py |
LCAOWfsMover.cut_wfs |
42 |
0 |
0 |
100% |
| gpaw/wavefunctions/fdpw.py |
FDPWWaveFunctions.__init__ |
18 |
2 |
0 |
89% |
| gpaw/wavefunctions/fdpw.py |
FDPWWaveFunctions.work_array |
3 |
0 |
0 |
100% |
| gpaw/wavefunctions/fdpw.py |
FDPWWaveFunctions.work_matrix_nn |
3 |
0 |
0 |
100% |
| gpaw/wavefunctions/fdpw.py |
FDPWWaveFunctions.__str__ |
4 |
0 |
0 |
100% |
| gpaw/wavefunctions/fdpw.py |
FDPWWaveFunctions.set_setups |
1 |
0 |
0 |
100% |
| gpaw/wavefunctions/fdpw.py |
FDPWWaveFunctions.set_orthonormalized |
1 |
0 |
0 |
100% |
| gpaw/wavefunctions/fdpw.py |
FDPWWaveFunctions.set_positions |
10 |
0 |
0 |
100% |
| gpaw/wavefunctions/fdpw.py |
FDPWWaveFunctions.initialize |
19 |
0 |
0 |
100% |
| gpaw/wavefunctions/fdpw.py |
FDPWWaveFunctions.initialize_wave_functions_from_restart_file |
4 |
0 |
0 |
100% |
| gpaw/wavefunctions/fdpw.py |
FDPWWaveFunctions.initialize_wave_functions_from_basis_functions |
26 |
1 |
0 |
96% |
| gpaw/wavefunctions/fdpw.py |
FDPWWaveFunctions.orthonormalize |
23 |
0 |
0 |
100% |
| gpaw/wavefunctions/fdpw.py |
FDPWWaveFunctions.calculate_forces |
55 |
35 |
0 |
36% |
| gpaw/wavefunctions/fdpw.py |
FDPWWaveFunctions.estimate_memory |
7 |
0 |
0 |
100% |
| gpaw/wavefunctions/fdpw.py |
(no function) |
38 |
0 |
0 |
100% |
| gpaw/wavefunctions/lcao.py |
LCAO.__init__ |
3 |
0 |
0 |
100% |
| gpaw/wavefunctions/lcao.py |
LCAO.__call__ |
1 |
0 |
0 |
100% |
| gpaw/wavefunctions/lcao.py |
LCAO.__repr__ |
1 |
1 |
0 |
0% |
| gpaw/wavefunctions/lcao.py |
LCAO.todict |
3 |
0 |
0 |
100% |
| gpaw/wavefunctions/lcao.py |
update_phases |
9 |
1 |
0 |
89% |
| gpaw/wavefunctions/lcao.py |
get_r_and_offsets |
11 |
11 |
0 |
0% |
| gpaw/wavefunctions/lcao.py |
get_r_and_offsets.add |
3 |
3 |
0 |
0% |
| gpaw/wavefunctions/lcao.py |
LCAOWaveFunctions.__init__ |
17 |
0 |
0 |
100% |
| gpaw/wavefunctions/lcao.py |
LCAOWaveFunctions.set_orthonormalized |
1 |
0 |
0 |
100% |
| gpaw/wavefunctions/lcao.py |
LCAOWaveFunctions.orthonormalize |
10 |
0 |
0 |
100% |
| gpaw/wavefunctions/lcao.py |
LCAOWaveFunctions.empty |
6 |
6 |
0 |
0% |
| gpaw/wavefunctions/lcao.py |
LCAOWaveFunctions.__str__ |
5 |
0 |
0 |
100% |
| gpaw/wavefunctions/lcao.py |
LCAOWaveFunctions.set_eigensolver |
5 |
0 |
0 |
100% |
| gpaw/wavefunctions/lcao.py |
LCAOWaveFunctions.set_positions |
43 |
0 |
0 |
100% |
| gpaw/wavefunctions/lcao.py |
LCAOWaveFunctions.initialize |
11 |
0 |
0 |
100% |
| gpaw/wavefunctions/lcao.py |
LCAOWaveFunctions.initialize_wave_functions_from_lcao |
6 |
0 |
0 |
100% |
| gpaw/wavefunctions/lcao.py |
LCAOWaveFunctions.initialize_wave_functions_from_restart_file |
1 |
0 |
0 |
100% |
| gpaw/wavefunctions/lcao.py |
LCAOWaveFunctions.add_orbital_density |
6 |
0 |
0 |
100% |
| gpaw/wavefunctions/lcao.py |
LCAOWaveFunctions.calculate_density_matrix |
4 |
0 |
0 |
100% |
| gpaw/wavefunctions/lcao.py |
LCAOWaveFunctions.calculate_atomic_density_matrices_with_occupation |
1 |
0 |
0 |
100% |
| gpaw/wavefunctions/lcao.py |
LCAOWaveFunctions.calculate_density_matrix_delta |
4 |
0 |
0 |
100% |
| gpaw/wavefunctions/lcao.py |
LCAOWaveFunctions.add_to_density_from_k_point_with_occupation |
13 |
1 |
0 |
92% |
| gpaw/wavefunctions/lcao.py |
LCAOWaveFunctions.add_to_kinetic_density_from_k_point |
1 |
1 |
0 |
0% |
| gpaw/wavefunctions/lcao.py |
LCAOWaveFunctions.calculate_forces |
5 |
0 |
0 |
100% |
| gpaw/wavefunctions/lcao.py |
LCAOWaveFunctions._get_wave_function_array |
10 |
2 |
0 |
80% |
| gpaw/wavefunctions/lcao.py |
LCAOWaveFunctions.write |
3 |
0 |
0 |
100% |
| gpaw/wavefunctions/lcao.py |
LCAOWaveFunctions.write_wave_functions |
5 |
0 |
0 |
100% |
| gpaw/wavefunctions/lcao.py |
LCAOWaveFunctions.read |
4 |
0 |
0 |
100% |
| gpaw/wavefunctions/lcao.py |
LCAOWaveFunctions.read_wave_functions |
10 |
1 |
0 |
90% |
| gpaw/wavefunctions/lcao.py |
LCAOWaveFunctions.estimate_memory |
10 |
0 |
0 |
100% |
| gpaw/wavefunctions/lcao.py |
LCAOforces.__init__ |
34 |
0 |
0 |
100% |
| gpaw/wavefunctions/lcao.py |
LCAOforces.get_forces_sum_GS |
19 |
0 |
0 |
100% |
| gpaw/wavefunctions/lcao.py |
LCAOforces._slices |
5 |
0 |
0 |
100% |
| gpaw/wavefunctions/lcao.py |
LCAOforces.slices |
1 |
0 |
0 |
100% |
| gpaw/wavefunctions/lcao.py |
LCAOforces.my_slices |
1 |
0 |
0 |
100% |
| gpaw/wavefunctions/lcao.py |
LCAOforces.get_den_mat_and_E |
32 |
6 |
0 |
81% |
| gpaw/wavefunctions/lcao.py |
LCAOforces.get_kinetic_term |
9 |
0 |
0 |
100% |
| gpaw/wavefunctions/lcao.py |
LCAOforces.get_den_mat_term |
7 |
0 |
0 |
100% |
| gpaw/wavefunctions/lcao.py |
LCAOforces.get_pot_term |
9 |
0 |
0 |
100% |
| gpaw/wavefunctions/lcao.py |
LCAOforces.get_den_mat_paw_term |
19 |
0 |
0 |
100% |
| gpaw/wavefunctions/lcao.py |
LCAOforces._get_den_mat_paw_term |
12 |
12 |
0 |
0% |
| gpaw/wavefunctions/lcao.py |
LCAOforces.get_paw_correction |
14 |
14 |
0 |
0% |
| gpaw/wavefunctions/lcao.py |
LCAOforces.get_atomic_density_term |
18 |
0 |
0 |
100% |
| gpaw/wavefunctions/lcao.py |
LCAOforces.get_den_mat_block_blacs |
3 |
0 |
0 |
100% |
| gpaw/wavefunctions/lcao.py |
LCAOforces.get_pot_term_blacs |
23 |
0 |
0 |
100% |
| gpaw/wavefunctions/lcao.py |
LCAOforces.get_kin_and_den_term_blacs |
67 |
4 |
0 |
94% |
| gpaw/wavefunctions/lcao.py |
LCAOforces.get_at_den_and_den_paw_blacs |
73 |
6 |
0 |
92% |
| gpaw/wavefunctions/lcao.py |
(no function) |
65 |
0 |
0 |
100% |
| gpaw/wavefunctions/mode.py |
create_wave_function_mode |
6 |
1 |
0 |
83% |
| gpaw/wavefunctions/mode.py |
Mode.__init__ |
1 |
0 |
0 |
100% |
| gpaw/wavefunctions/mode.py |
Mode.todict |
4 |
0 |
0 |
100% |
| gpaw/wavefunctions/mode.py |
(no function) |
4 |
0 |
0 |
100% |
| gpaw/wavefunctions/pw.py |
PW.__init__ |
11 |
1 |
0 |
91% |
| gpaw/wavefunctions/pw.py |
PW.__call__ |
13 |
6 |
0 |
54% |
| gpaw/wavefunctions/pw.py |
PW.todict |
11 |
3 |
0 |
73% |
| gpaw/wavefunctions/pw.py |
Preconditioner.__init__ |
3 |
0 |
0 |
100% |
| gpaw/wavefunctions/pw.py |
Preconditioner.calculate_kinetic_energy |
4 |
0 |
0 |
100% |
| gpaw/wavefunctions/pw.py |
Preconditioner.__call__ |
8 |
0 |
0 |
100% |
| gpaw/wavefunctions/pw.py |
NonCollinearPreconditioner.calculate_kinetic_energy |
3 |
0 |
0 |
100% |
| gpaw/wavefunctions/pw.py |
NonCollinearPreconditioner.__call__ |
1 |
0 |
0 |
100% |
| gpaw/wavefunctions/pw.py |
PWWaveFunctions.__init__ |
6 |
0 |
0 |
100% |
| gpaw/wavefunctions/pw.py |
PWWaveFunctions.empty |
9 |
2 |
0 |
78% |
| gpaw/wavefunctions/pw.py |
PWWaveFunctions.integrate |
1 |
0 |
0 |
100% |
| gpaw/wavefunctions/pw.py |
PWWaveFunctions.bytes_per_wave_function |
1 |
0 |
0 |
100% |
| gpaw/wavefunctions/pw.py |
PWWaveFunctions.set_setups |
13 |
2 |
0 |
85% |
| gpaw/wavefunctions/pw.py |
PWWaveFunctions.get_pseudo_partial_waves |
1 |
0 |
0 |
100% |
| gpaw/wavefunctions/pw.py |
PWWaveFunctions.__str__ |
12 |
1 |
0 |
92% |
| gpaw/wavefunctions/pw.py |
PWWaveFunctions.make_preconditioner |
3 |
0 |
0 |
100% |
| gpaw/wavefunctions/pw.py |
PWWaveFunctions.apply_pseudo_hamiltonian |
21 |
1 |
0 |
95% |
| gpaw/wavefunctions/pw.py |
PWWaveFunctions.apply_pseudo_hamiltonian_nc |
8 |
0 |
0 |
100% |
| gpaw/wavefunctions/pw.py |
PWWaveFunctions.add_orbital_density |
1 |
1 |
0 |
0% |
| gpaw/wavefunctions/pw.py |
PWWaveFunctions.add_to_density_from_k_point_with_occupation |
15 |
0 |
0 |
100% |
| gpaw/wavefunctions/pw.py |
PWWaveFunctions.add_to_density_from_k_point_with_occupation_nc |
10 |
0 |
0 |
100% |
| gpaw/wavefunctions/pw.py |
PWWaveFunctions.add_to_kinetic_energy_density_kpt |
19 |
0 |
0 |
100% |
| gpaw/wavefunctions/pw.py |
PWWaveFunctions.add_to_ke_crossterms_kpt |
29 |
3 |
0 |
90% |
| gpaw/wavefunctions/pw.py |
PWWaveFunctions.calculate_kinetic_energy_density |
9 |
0 |
0 |
100% |
| gpaw/wavefunctions/pw.py |
PWWaveFunctions.calculate_kinetic_energy_density_crossterms |
9 |
1 |
0 |
89% |
| gpaw/wavefunctions/pw.py |
PWWaveFunctions.apply_mgga_orbital_dependent_hamiltonian |
22 |
1 |
0 |
95% |
| gpaw/wavefunctions/pw.py |
PWWaveFunctions._get_wave_function_array |
12 |
1 |
0 |
92% |
| gpaw/wavefunctions/pw.py |
PWWaveFunctions.get_wave_function_array |
27 |
9 |
0 |
67% |
| gpaw/wavefunctions/pw.py |
PWWaveFunctions.write |
32 |
3 |
0 |
91% |
| gpaw/wavefunctions/pw.py |
PWWaveFunctions.read |
26 |
5 |
0 |
81% |
| gpaw/wavefunctions/pw.py |
PWWaveFunctions.hs |
41 |
1 |
0 |
98% |
| gpaw/wavefunctions/pw.py |
PWWaveFunctions.diagonalize_full_hamiltonian |
81 |
31 |
0 |
62% |
| gpaw/wavefunctions/pw.py |
PWWaveFunctions.initialize_from_lcao_coefficients |
20 |
0 |
0 |
100% |
| gpaw/wavefunctions/pw.py |
PWWaveFunctions.random_wave_functions |
10 |
1 |
0 |
90% |
| gpaw/wavefunctions/pw.py |
PWWaveFunctions.estimate_memory |
2 |
0 |
0 |
100% |
| gpaw/wavefunctions/pw.py |
PWWaveFunctions.get_kinetic_stress |
19 |
0 |
0 |
100% |
| gpaw/wavefunctions/pw.py |
(no function) |
66 |
0 |
0 |
100% |
| gpaw/wfd_operators.py |
WeightedFDOperator.__init__ |
33 |
1 |
0 |
97% |
| gpaw/wfd_operators.py |
WeightedFDOperator.set_weights |
7 |
0 |
0 |
100% |
| gpaw/wfd_operators.py |
(no function) |
6 |
0 |
0 |
100% |
| gpaw/xas.py |
dipole_matrix_elements |
22 |
0 |
0 |
100% |
| gpaw/xas.py |
logger |
11 |
1 |
0 |
91% |
| gpaw/xas.py |
XAS.__init__ |
2 |
0 |
0 |
100% |
| gpaw/xas.py |
XAS.__full_init__ |
91 |
20 |
0 |
78% |
| gpaw/xas.py |
XAS.write |
5 |
0 |
0 |
100% |
| gpaw/xas.py |
XAS.restart |
5 |
0 |
0 |
100% |
| gpaw/xas.py |
XAS.projection |
19 |
4 |
0 |
79% |
| gpaw/xas.py |
XAS.get_oscillator_strength |
35 |
4 |
0 |
89% |
| gpaw/xas.py |
XAS.get_spectra |
11 |
1 |
0 |
91% |
| gpaw/xas.py |
XAS.variable_broadening |
18 |
5 |
0 |
72% |
| gpaw/xas.py |
XAS.constant_broadening |
8 |
0 |
0 |
100% |
| gpaw/xas.py |
RecursionMethod.__init__ |
29 |
7 |
0 |
76% |
| gpaw/xas.py |
RecursionMethod.read |
22 |
22 |
0 |
0% |
| gpaw/xas.py |
RecursionMethod.write |
38 |
19 |
0 |
50% |
| gpaw/xas.py |
RecursionMethod.allocate_tmp_arrays |
3 |
0 |
0 |
100% |
| gpaw/xas.py |
RecursionMethod.initialize_start_vector |
37 |
18 |
0 |
51% |
| gpaw/xas.py |
RecursionMethod.run |
18 |
5 |
0 |
72% |
| gpaw/xas.py |
RecursionMethod.step |
20 |
0 |
0 |
100% |
| gpaw/xas.py |
RecursionMethod.continued_fraction |
5 |
0 |
0 |
100% |
| gpaw/xas.py |
RecursionMethod.get_spectra |
45 |
24 |
0 |
47% |
| gpaw/xas.py |
RecursionMethod.solve |
3 |
0 |
0 |
100% |
| gpaw/xas.py |
RecursionMethod.solve2 |
2 |
2 |
0 |
0% |
| gpaw/xas.py |
RecursionMethod.solve3 |
2 |
2 |
0 |
0% |
| gpaw/xas.py |
RecursionMethod.sum |
2 |
0 |
0 |
100% |
| gpaw/xas.py |
RecursionMethod.__call__ |
3 |
0 |
0 |
100% |
| gpaw/xas.py |
RecursionMethod.terminator |
1 |
0 |
0 |
100% |
| gpaw/xas.py |
RecursionMethod.duplicate_coefficients |
17 |
17 |
0 |
0% |
| gpaw/xas.py |
write_spectrum |
8 |
8 |
0 |
0% |
| gpaw/xas.py |
(no function) |
41 |
0 |
0 |
100% |
| gpaw/xc/__init__.py |
xc_string_to_dict |
13 |
0 |
0 |
100% |
| gpaw/xc/__init__.py |
XC |
80 |
4 |
0 |
95% |
| gpaw/xc/__init__.py |
(no function) |
10 |
0 |
0 |
100% |
| gpaw/xc/bee.py |
BEE2.__init__ |
9 |
0 |
0 |
100% |
| gpaw/xc/bee.py |
BEEVDWKernel.__init__ |
17 |
1 |
0 |
94% |
| gpaw/xc/bee.py |
BEEVDWKernel.calculate |
17 |
1 |
0 |
94% |
| gpaw/xc/bee.py |
BEEFEnsemble.__init__ |
19 |
1 |
0 |
95% |
| gpaw/xc/bee.py |
BEEFEnsemble.create_xc_contributions |
16 |
2 |
0 |
88% |
| gpaw/xc/bee.py |
BEEFEnsemble.get_non_xc_total_energies |
8 |
0 |
0 |
100% |
| gpaw/xc/bee.py |
BEEFEnsemble.mbeef_exchange_energy_contribs |
11 |
0 |
0 |
100% |
| gpaw/xc/bee.py |
BEEFEnsemble.beefvdw_energy_contribs_x |
9 |
0 |
0 |
100% |
| gpaw/xc/bee.py |
BEEFEnsemble.beefvdw_energy_contribs_c |
5 |
0 |
0 |
100% |
| gpaw/xc/bee.py |
BEEFEnsemble.mbeefvdw_energy_contribs_c |
8 |
0 |
0 |
100% |
| gpaw/xc/bee.py |
(no function) |
21 |
0 |
0 |
100% |
| gpaw/xc/functional.py |
XCFunctional.__init__ |
5 |
0 |
0 |
100% |
| gpaw/xc/functional.py |
XCFunctional.todict |
1 |
0 |
0 |
100% |
| gpaw/xc/functional.py |
XCFunctional.tostring |
1 |
0 |
0 |
100% |
| gpaw/xc/functional.py |
XCFunctional.get_setup_name |
1 |
0 |
0 |
100% |
| gpaw/xc/functional.py |
XCFunctional.initialize |
1 |
0 |
0 |
100% |
| gpaw/xc/functional.py |
XCFunctional.set_grid_descriptor |
1 |
0 |
0 |
100% |
| gpaw/xc/functional.py |
XCFunctional.calculate |
8 |
0 |
0 |
100% |
| gpaw/xc/functional.py |
XCFunctional.calculate_impl |
1 |
1 |
0 |
0% |
| gpaw/xc/functional.py |
XCFunctional.calculate_paw_correction |
1 |
1 |
0 |
0% |
| gpaw/xc/functional.py |
XCFunctional.set_positions |
1 |
0 |
0 |
100% |
| gpaw/xc/functional.py |
XCFunctional.get_description |
1 |
0 |
0 |
100% |
| gpaw/xc/functional.py |
XCFunctional.summary |
1 |
0 |
0 |
100% |
| gpaw/xc/functional.py |
XCFunctional.write |
1 |
0 |
0 |
100% |
| gpaw/xc/functional.py |
XCFunctional.read |
1 |
0 |
0 |
100% |
| gpaw/xc/functional.py |
XCFunctional.estimate_memory |
1 |
0 |
0 |
100% |
| gpaw/xc/functional.py |
XCFunctional.apply_orbital_dependent_hamiltonian |
1 |
0 |
0 |
100% |
| gpaw/xc/functional.py |
XCFunctional.correct_hamiltonian_matrix |
1 |
0 |
0 |
100% |
| gpaw/xc/functional.py |
XCFunctional.add_correction |
1 |
0 |
0 |
100% |
| gpaw/xc/functional.py |
XCFunctional.rotate |
1 |
0 |
0 |
100% |
| gpaw/xc/functional.py |
XCFunctional.get_kinetic_energy_correction |
1 |
0 |
0 |
100% |
| gpaw/xc/functional.py |
XCFunctional.add_forces |
1 |
0 |
0 |
100% |
| gpaw/xc/functional.py |
XCFunctional.stress_tensor_contribution |
1 |
1 |
0 |
0% |
| gpaw/xc/functional.py |
XCFunctional.calculate_spherical |
1 |
1 |
0 |
0% |
| gpaw/xc/functional.py |
(no function) |
28 |
0 |
0 |
100% |
| gpaw/xc/fxc.py |
get_chi0v_spinsum |
6 |
0 |
0 |
100% |
| gpaw/xc/fxc.py |
get_chi0v_foreach_spin |
6 |
0 |
0 |
100% |
| gpaw/xc/fxc.py |
FXCCache.__init__ |
4 |
0 |
0 |
100% |
| gpaw/xc/fxc.py |
FXCCache.prefix |
1 |
0 |
0 |
100% |
| gpaw/xc/fxc.py |
FXCCache.handle |
1 |
0 |
0 |
100% |
| gpaw/xc/fxc.py |
Handle.__init__ |
3 |
0 |
0 |
100% |
| gpaw/xc/fxc.py |
Handle._path |
1 |
0 |
0 |
100% |
| gpaw/xc/fxc.py |
Handle.exists |
5 |
1 |
0 |
80% |
| gpaw/xc/fxc.py |
Handle.read |
8 |
1 |
0 |
88% |
| gpaw/xc/fxc.py |
Handle.write |
4 |
0 |
0 |
100% |
| gpaw/xc/fxc.py |
Handle._read_master |
2 |
0 |
0 |
100% |
| gpaw/xc/fxc.py |
Handle._write_master |
3 |
0 |
0 |
100% |
| gpaw/xc/fxc.py |
FXCCorrelation.__init__ |
22 |
1 |
0 |
95% |
| gpaw/xc/fxc.py |
FXCCorrelation.blockcomm |
1 |
1 |
0 |
0% |
| gpaw/xc/fxc.py |
FXCCorrelation._calculate_kernel |
18 |
2 |
0 |
89% |
| gpaw/xc/fxc.py |
FXCCorrelation.calculate |
4 |
0 |
0 |
100% |
| gpaw/xc/fxc.py |
FXCCorrelation.calculate_q_fxc |
13 |
1 |
0 |
92% |
| gpaw/xc/fxc.py |
FXCCorrelation.calculate_optical_limit_fxc_energies |
8 |
0 |
0 |
100% |
| gpaw/xc/fxc.py |
FXCCorrelation.calculate_energy_contribution |
11 |
0 |
0 |
100% |
| gpaw/xc/fxc.py |
FXCCorrelation.calculate_fxc_energies |
28 |
0 |
0 |
100% |
| gpaw/xc/fxc.py |
KernelIntegrator.__init__ |
7 |
0 |
0 |
100% |
| gpaw/xc/fxc.py |
KernelIntegrator.calculate_fhxc |
8 |
0 |
0 |
100% |
| gpaw/xc/fxc.py |
KernelWave.__init__ |
33 |
3 |
0 |
91% |
| gpaw/xc/fxc.py |
KernelWave._calculate_fhxc |
4 |
1 |
0 |
75% |
| gpaw/xc/fxc.py |
KernelWave.calculate_one_qpoint |
54 |
15 |
0 |
72% |
| gpaw/xc/fxc.py |
KernelWave.calculate_one_qpoint.scaled_fHxc |
1 |
0 |
0 |
100% |
| gpaw/xc/fxc.py |
KernelWave.get_scaled_fHxc_q |
12 |
1 |
0 |
92% |
| gpaw/xc/fxc.py |
KernelWave.get_fHxc_q |
6 |
0 |
0 |
100% |
| gpaw/xc/fxc.py |
KernelWave.get_spinfHxc_q |
8 |
8 |
0 |
0% |
| gpaw/xc/fxc.py |
KernelDens.__init__ |
15 |
0 |
0 |
100% |
| gpaw/xc/fxc.py |
KernelDens._calculate_fhxc |
6 |
3 |
0 |
50% |
| gpaw/xc/fxc.py |
KernelDens.calculate_rkernel |
130 |
17 |
0 |
87% |
| gpaw/xc/fxc.py |
KernelDens.calculate_local_kernel |
32 |
32 |
0 |
0% |
| gpaw/xc/fxc.py |
KernelDens.get_fxc_g |
5 |
1 |
0 |
80% |
| gpaw/xc/fxc.py |
KernelDens.get_lda_g |
1 |
0 |
0 |
100% |
| gpaw/xc/fxc.py |
KernelDens.get_pbe_g |
12 |
0 |
0 |
100% |
| gpaw/xc/fxc.py |
XCFlags.__init__ |
3 |
1 |
0 |
67% |
| gpaw/xc/fxc.py |
XCFlags.spin_kernel |
1 |
0 |
0 |
100% |
| gpaw/xc/fxc.py |
XCFlags.is_apbe |
1 |
0 |
0 |
100% |
| gpaw/xc/fxc.py |
XCFlags.choose_avg_scheme |
10 |
0 |
0 |
100% |
| gpaw/xc/fxc.py |
(no function) |
75 |
0 |
0 |
100% |
| gpaw/xc/fxc_kernels.py |
get_fHxc_Gr |
6 |
1 |
0 |
83% |
| gpaw/xc/fxc_kernels.py |
fHxc_ralda |
3 |
0 |
0 |
100% |
| gpaw/xc/fxc_kernels.py |
fHxc_apbe |
3 |
0 |
0 |
100% |
| gpaw/xc/fxc_kernels.py |
get_fspinHxc_Gr_rALDA |
4 |
4 |
0 |
0% |
| gpaw/xc/fxc_kernels.py |
get_fspinHxc_Gr_rAPBE |
4 |
4 |
0 |
0% |
| gpaw/xc/fxc_kernels.py |
get_heg_A |
4 |
4 |
0 |
0% |
| gpaw/xc/fxc_kernels.py |
get_heg_B |
11 |
11 |
0 |
0% |
| gpaw/xc/fxc_kernels.py |
get_heg_C |
3 |
3 |
0 |
0% |
| gpaw/xc/fxc_kernels.py |
get_heg_D |
4 |
4 |
0 |
0% |
| gpaw/xc/fxc_kernels.py |
get_pw_lda |
17 |
17 |
0 |
0% |
| gpaw/xc/fxc_kernels.py |
get_pbe_fxc |
1 |
0 |
0 |
100% |
| gpaw/xc/fxc_kernels.py |
get_pbe_fxc_and_intermediate_derivatives |
11 |
0 |
0 |
100% |
| gpaw/xc/fxc_kernels.py |
(no function) |
13 |
0 |
0 |
100% |
| gpaw/xc/gga.py |
stress_gga_term |
12 |
0 |
0 |
100% |
| gpaw/xc/gga.py |
GGARadialExpansion.__init__ |
2 |
0 |
0 |
100% |
| gpaw/xc/gga.py |
GGARadialExpansion.__call__ |
22 |
0 |
0 |
100% |
| gpaw/xc/gga.py |
radial_gga_vars |
17 |
0 |
0 |
100% |
| gpaw/xc/gga.py |
add_radial_gradient_correction |
13 |
0 |
0 |
100% |
| gpaw/xc/gga.py |
GGARadialCalculator.__init__ |
1 |
0 |
0 |
100% |
| gpaw/xc/gga.py |
GGARadialCalculator.__call__ |
4 |
0 |
0 |
100% |
| gpaw/xc/gga.py |
calculate_sigma |
10 |
0 |
0 |
100% |
| gpaw/xc/gga.py |
add_gradient_correction |
10 |
0 |
0 |
100% |
| gpaw/xc/gga.py |
gga_vars |
4 |
0 |
0 |
100% |
| gpaw/xc/gga.py |
get_gradient_ops |
1 |
0 |
0 |
100% |
| gpaw/xc/gga.py |
GGA.__init__ |
3 |
0 |
0 |
100% |
| gpaw/xc/gga.py |
GGA.set_grid_descriptor |
2 |
0 |
0 |
100% |
| gpaw/xc/gga.py |
GGA.todict |
3 |
0 |
0 |
100% |
| gpaw/xc/gga.py |
GGA.get_description |
1 |
0 |
0 |
100% |
| gpaw/xc/gga.py |
GGA.calculate_impl |
3 |
0 |
0 |
100% |
| gpaw/xc/gga.py |
GGA.calculate_paw_correction |
3 |
0 |
0 |
100% |
| gpaw/xc/gga.py |
GGA.stress_tensor_contribution |
11 |
0 |
0 |
100% |
| gpaw/xc/gga.py |
GGA.calculate_spherical |
9 |
0 |
0 |
100% |
| gpaw/xc/gga.py |
PurePythonGGAKernel.__init__ |
2 |
0 |
0 |
100% |
| gpaw/xc/gga.py |
PurePythonGGAKernel.calculate |
28 |
0 |
0 |
100% |
| gpaw/xc/gga.py |
pbe_constants |
17 |
5 |
0 |
71% |
| gpaw/xc/gga.py |
gga_x |
24 |
1 |
0 |
96% |
| gpaw/xc/gga.py |
gga_c |
100 |
24 |
0 |
76% |
| gpaw/xc/gga.py |
gga_constants |
6 |
0 |
0 |
100% |
| gpaw/xc/gga.py |
(no function) |
37 |
0 |
0 |
100% |
| gpaw/xc/gllb/__init__.py |
safe_sqr |
1 |
0 |
0 |
100% |
| gpaw/xc/gllb/__init__.py |
(no function) |
2 |
0 |
0 |
100% |
| gpaw/xc/gllb/c_gllbscr.py |
C_GLLBScr.__init__ |
3 |
0 |
0 |
100% |
| gpaw/xc/gllb/c_gllbscr.py |
C_GLLBScr.set_damp |
1 |
1 |
0 |
0% |
| gpaw/xc/gllb/c_gllbscr.py |
C_GLLBScr.get_name |
1 |
0 |
0 |
100% |
| gpaw/xc/gllb/c_gllbscr.py |
C_GLLBScr.get_desc |
2 |
0 |
0 |
100% |
| gpaw/xc/gllb/c_gllbscr.py |
C_GLLBScr.initialize |
3 |
0 |
0 |
100% |
| gpaw/xc/gllb/c_gllbscr.py |
C_GLLBScr.initialize_1d |
3 |
0 |
0 |
100% |
| gpaw/xc/gllb/c_gllbscr.py |
C_GLLBScr.add_xc_potential_and_energy_1d |
6 |
0 |
0 |
100% |
| gpaw/xc/gllb/c_gllbscr.py |
C_GLLBScr.calculate |
8 |
0 |
0 |
100% |
| gpaw/xc/gllb/c_gllbscr.py |
C_GLLBScr.calculate_energy_and_derivatives |
53 |
0 |
0 |
100% |
| gpaw/xc/gllb/c_gllbscr.py |
C_GLLBScr.add_smooth_xc_potential_and_energy_1d |
5 |
0 |
0 |
100% |
| gpaw/xc/gllb/c_gllbscr.py |
(no function) |
17 |
0 |
0 |
100% |
| gpaw/xc/gllb/c_response.py |
d |
2 |
1 |
0 |
50% |
| gpaw/xc/gllb/c_response.py |
ResponsePotential.__init__ |
5 |
0 |
0 |
100% |
| gpaw/xc/gllb/c_response.py |
ResponsePotential.redistribute |
10 |
0 |
0 |
100% |
| gpaw/xc/gllb/c_response.py |
ResponsePotential.redistribute.redist_asp |
1 |
0 |
0 |
100% |
| gpaw/xc/gllb/c_response.py |
C_Response.__init__ |
14 |
0 |
0 |
100% |
| gpaw/xc/gllb/c_response.py |
C_Response.set_damp |
1 |
1 |
0 |
0% |
| gpaw/xc/gllb/c_response.py |
C_Response.get_name |
1 |
0 |
0 |
100% |
| gpaw/xc/gllb/c_response.py |
C_Response.get_desc |
5 |
0 |
0 |
100% |
| gpaw/xc/gllb/c_response.py |
C_Response.initialize |
7 |
0 |
0 |
100% |
| gpaw/xc/gllb/c_response.py |
C_Response.initialize_1d |
2 |
0 |
0 |
100% |
| gpaw/xc/gllb/c_response.py |
C_Response.initialize_from_other_response |
10 |
0 |
0 |
100% |
| gpaw/xc/gllb/c_response.py |
C_Response.add_xc_potential_and_energy_1d |
4 |
0 |
0 |
100% |
| gpaw/xc/gllb/c_response.py |
C_Response.update_potentials |
43 |
0 |
0 |
100% |
| gpaw/xc/gllb/c_response.py |
C_Response.calculate |
2 |
0 |
0 |
100% |
| gpaw/xc/gllb/c_response.py |
C_Response.distribute_D_asp |
1 |
0 |
0 |
100% |
| gpaw/xc/gllb/c_response.py |
C_Response.calculate_energy_and_derivatives |
23 |
1 |
0 |
96% |
| gpaw/xc/gllb/c_response.py |
C_Response.integrate_sphere |
19 |
0 |
0 |
100% |
| gpaw/xc/gllb/c_response.py |
C_Response.add_smooth_xc_potential_and_energy_1d |
9 |
0 |
0 |
100% |
| gpaw/xc/gllb/c_response.py |
C_Response.calculate_delta_xc |
8 |
0 |
0 |
100% |
| gpaw/xc/gllb/c_response.py |
C_Response.calculate_discontinuity_potential |
32 |
0 |
0 |
100% |
| gpaw/xc/gllb/c_response.py |
C_Response.calculate_delta_xc_perturbation |
8 |
4 |
0 |
50% |
| gpaw/xc/gllb/c_response.py |
C_Response.calculate_delta_xc_perturbation_spin |
3 |
3 |
0 |
0% |
| gpaw/xc/gllb/c_response.py |
C_Response.calculate_discontinuity |
31 |
2 |
0 |
94% |
| gpaw/xc/gllb/c_response.py |
C_Response.calculate_discontinuity_from_average |
7 |
1 |
0 |
86% |
| gpaw/xc/gllb/c_response.py |
C_Response.initialize_from_atomic_orbitals |
28 |
0 |
0 |
100% |
| gpaw/xc/gllb/c_response.py |
C_Response.get_extra_setup_data |
9 |
0 |
0 |
100% |
| gpaw/xc/gllb/c_response.py |
C_Response.write |
12 |
0 |
0 |
100% |
| gpaw/xc/gllb/c_response.py |
C_Response.empty_atomic_matrix |
2 |
0 |
0 |
100% |
| gpaw/xc/gllb/c_response.py |
C_Response.read |
19 |
0 |
0 |
100% |
| gpaw/xc/gllb/c_response.py |
C_Response.read.unpack_density |
1 |
0 |
0 |
100% |
| gpaw/xc/gllb/c_response.py |
C_Response.heeeeeeeeeeeeeeeeeeeeeeeeeeeeeeeeelp |
3 |
3 |
0 |
0% |
| gpaw/xc/gllb/c_response.py |
(no function) |
43 |
0 |
0 |
100% |
| gpaw/xc/gllb/c_xc.py |
C_XC.__init__ |
2 |
0 |
0 |
100% |
| gpaw/xc/gllb/c_xc.py |
C_XC.get_name |
1 |
0 |
0 |
100% |
| gpaw/xc/gllb/c_xc.py |
C_XC.get_desc |
2 |
0 |
0 |
100% |
| gpaw/xc/gllb/c_xc.py |
C_XC.initialize |
3 |
0 |
0 |
100% |
| gpaw/xc/gllb/c_xc.py |
C_XC.initialize_1d |
2 |
0 |
0 |
100% |
| gpaw/xc/gllb/c_xc.py |
C_XC.calculate |
5 |
0 |
0 |
100% |
| gpaw/xc/gllb/c_xc.py |
C_XC.calculate_energy_and_derivatives |
3 |
0 |
0 |
100% |
| gpaw/xc/gllb/c_xc.py |
C_XC.add_xc_potential_and_energy_1d |
4 |
0 |
0 |
100% |
| gpaw/xc/gllb/c_xc.py |
C_XC.add_smooth_xc_potential_and_energy_1d |
4 |
0 |
0 |
100% |
| gpaw/xc/gllb/c_xc.py |
(no function) |
13 |
0 |
0 |
100% |
| gpaw/xc/gllb/coefficients.py |
Coefficients.__init__ |
6 |
0 |
0 |
100% |
| gpaw/xc/gllb/coefficients.py |
Coefficients.initialize |
1 |
0 |
0 |
100% |
| gpaw/xc/gllb/coefficients.py |
Coefficients.initialize_1d |
1 |
0 |
0 |
100% |
| gpaw/xc/gllb/coefficients.py |
Coefficients.get_description |
6 |
0 |
0 |
100% |
| gpaw/xc/gllb/coefficients.py |
Coefficients.f |
11 |
0 |
0 |
100% |
| gpaw/xc/gllb/coefficients.py |
Coefficients.get_reference_homo_1d |
4 |
0 |
0 |
100% |
| gpaw/xc/gllb/coefficients.py |
Coefficients.get_reference_lumo_1d |
4 |
4 |
0 |
0% |
| gpaw/xc/gllb/coefficients.py |
Coefficients.get_coefficients_1d |
12 |
0 |
0 |
100% |
| gpaw/xc/gllb/coefficients.py |
Coefficients.get_coefficients_1d_for_lumo_perturbation |
5 |
5 |
0 |
0% |
| gpaw/xc/gllb/coefficients.py |
Coefficients.get_coefficients |
6 |
0 |
0 |
100% |
| gpaw/xc/gllb/coefficients.py |
Coefficients.get_coefficients_for_lumo_perturbation |
6 |
0 |
0 |
100% |
| gpaw/xc/gllb/coefficients.py |
(no function) |
17 |
0 |
0 |
100% |
| gpaw/xc/gllb/contribution.py |
Contribution.__init__ |
1 |
0 |
0 |
100% |
| gpaw/xc/gllb/contribution.py |
Contribution.get_name |
1 |
1 |
0 |
0% |
| gpaw/xc/gllb/contribution.py |
Contribution.get_desc |
1 |
1 |
0 |
0% |
| gpaw/xc/gllb/contribution.py |
Contribution.initialize |
5 |
0 |
0 |
100% |
| gpaw/xc/gllb/contribution.py |
Contribution.initialize_1d |
1 |
0 |
0 |
100% |
| gpaw/xc/gllb/contribution.py |
Contribution.initialize_from_atomic_orbitals |
1 |
0 |
0 |
100% |
| gpaw/xc/gllb/contribution.py |
Contribution.calculate |
1 |
1 |
0 |
0% |
| gpaw/xc/gllb/contribution.py |
Contribution.calculate_energy_and_derivatives |
1 |
1 |
0 |
0% |
| gpaw/xc/gllb/contribution.py |
Contribution.add_smooth_xc_potential_and_energy_1d |
1 |
1 |
0 |
0% |
| gpaw/xc/gllb/contribution.py |
Contribution.get_extra_setup_data |
1 |
0 |
0 |
100% |
| gpaw/xc/gllb/contribution.py |
Contribution.write |
1 |
0 |
0 |
100% |
| gpaw/xc/gllb/contribution.py |
Contribution.read |
1 |
0 |
0 |
100% |
| gpaw/xc/gllb/contribution.py |
(no function) |
13 |
0 |
0 |
100% |
| gpaw/xc/gllb/nonlocalfunctional.py |
NonLocalFunctional.__init__ |
11 |
0 |
0 |
100% |
| gpaw/xc/gllb/nonlocalfunctional.py |
NonLocalFunctional.get_setup_name |
1 |
0 |
0 |
100% |
| gpaw/xc/gllb/nonlocalfunctional.py |
NonLocalFunctional.set_mix |
1 |
1 |
0 |
0% |
| gpaw/xc/gllb/nonlocalfunctional.py |
NonLocalFunctional.initialize |
2 |
0 |
0 |
100% |
| gpaw/xc/gllb/nonlocalfunctional.py |
NonLocalFunctional.initialize_1d |
2 |
0 |
0 |
100% |
| gpaw/xc/gllb/nonlocalfunctional.py |
NonLocalFunctional.calculate_impl |
15 |
11 |
0 |
27% |
| gpaw/xc/gllb/nonlocalfunctional.py |
NonLocalFunctional.calculate_paw_correction |
1 |
0 |
0 |
100% |
| gpaw/xc/gllb/nonlocalfunctional.py |
NonLocalFunctional.calculate_energy_and_derivatives |
21 |
9 |
0 |
57% |
| gpaw/xc/gllb/nonlocalfunctional.py |
NonLocalFunctional.get_xc_potential_and_energy_1d |
4 |
0 |
0 |
100% |
| gpaw/xc/gllb/nonlocalfunctional.py |
NonLocalFunctional.get_smooth_xc_potential_and_energy_1d |
4 |
0 |
0 |
100% |
| gpaw/xc/gllb/nonlocalfunctional.py |
NonLocalFunctional.initialize_from_atomic_orbitals |
2 |
0 |
0 |
100% |
| gpaw/xc/gllb/nonlocalfunctional.py |
NonLocalFunctional.get_extra_setup_data |
2 |
0 |
0 |
100% |
| gpaw/xc/gllb/nonlocalfunctional.py |
NonLocalFunctional.add_contribution |
5 |
0 |
0 |
100% |
| gpaw/xc/gllb/nonlocalfunctional.py |
NonLocalFunctional.get_description |
11 |
0 |
0 |
100% |
| gpaw/xc/gllb/nonlocalfunctional.py |
NonLocalFunctional.summary |
6 |
0 |
0 |
100% |
| gpaw/xc/gllb/nonlocalfunctional.py |
NonLocalFunctional.read |
2 |
0 |
0 |
100% |
| gpaw/xc/gllb/nonlocalfunctional.py |
NonLocalFunctional.write |
2 |
0 |
0 |
100% |
| gpaw/xc/gllb/nonlocalfunctional.py |
NonLocalFunctional.heeeeeeeeeeeeeeeeeeeeeeeeeeeeeeeeelp |
5 |
5 |
0 |
0% |
| gpaw/xc/gllb/nonlocalfunctional.py |
(no function) |
22 |
0 |
0 |
100% |
| gpaw/xc/gllb/nonlocalfunctionalfactory.py |
get_nonlocal_functional |
55 |
1 |
0 |
98% |
| gpaw/xc/gllb/nonlocalfunctionalfactory.py |
get_nonlocal_functional.func_name_to_dict |
4 |
0 |
0 |
100% |
| gpaw/xc/gllb/nonlocalfunctionalfactory.py |
(no function) |
2 |
0 |
0 |
100% |
| gpaw/xc/hybrid.py |
HybridXCBase.__init__ |
35 |
3 |
0 |
91% |
| gpaw/xc/hybrid.py |
HybridXCBase.__init__._xc |
1 |
0 |
0 |
100% |
| gpaw/xc/hybrid.py |
HybridXCBase.todict |
1 |
0 |
0 |
100% |
| gpaw/xc/hybrid.py |
HybridXCBase.tostring |
5 |
0 |
0 |
100% |
| gpaw/xc/hybrid.py |
HybridXCBase.get_setup_name |
1 |
0 |
0 |
100% |
| gpaw/xc/hybrid.py |
HybridXC.__init__ |
6 |
0 |
0 |
100% |
| gpaw/xc/hybrid.py |
HybridXC.calculate_paw_correction |
1 |
0 |
0 |
100% |
| gpaw/xc/hybrid.py |
HybridXC.initialize |
25 |
0 |
0 |
100% |
| gpaw/xc/hybrid.py |
HybridXC.set_positions |
1 |
0 |
0 |
100% |
| gpaw/xc/hybrid.py |
HybridXC.calculate |
3 |
0 |
0 |
100% |
| gpaw/xc/hybrid.py |
HybridXC.calculate_exx |
2 |
0 |
0 |
100% |
| gpaw/xc/hybrid.py |
HybridXC.apply_orbital_dependent_hamiltonian |
136 |
14 |
0 |
90% |
| gpaw/xc/hybrid.py |
HybridXC.apply_orbital_dependent_hamiltonian.calculate_vv |
19 |
0 |
0 |
100% |
| gpaw/xc/hybrid.py |
HybridXC.correct_hamiltonian_matrix |
9 |
0 |
0 |
100% |
| gpaw/xc/hybrid.py |
HybridXC.calculate_pair_density |
15 |
0 |
0 |
100% |
| gpaw/xc/hybrid.py |
HybridXC.add_correction |
13 |
0 |
0 |
100% |
| gpaw/xc/hybrid.py |
HybridXC.rotate |
15 |
0 |
0 |
100% |
| gpaw/xc/hybrid.py |
atomic_exact_exchange |
32 |
7 |
0 |
78% |
| gpaw/xc/hybrid.py |
constructX |
41 |
0 |
0 |
100% |
| gpaw/xc/hybrid.py |
H_coulomb_val_core |
7 |
7 |
0 |
0% |
| gpaw/xc/hybrid.py |
(no function) |
36 |
0 |
0 |
100% |
| gpaw/xc/kernel.py |
XCNull.calculate |
1 |
0 |
0 |
100% |
| gpaw/xc/kernel.py |
XCKernel.__init__ |
8 |
0 |
0 |
100% |
| gpaw/xc/kernel.py |
XCKernel.calculate |
3 |
0 |
0 |
100% |
| gpaw/xc/kernel.py |
XCKernel.check_arguments |
18 |
0 |
0 |
100% |
| gpaw/xc/kernel.py |
(no function) |
10 |
0 |
0 |
100% |
| gpaw/xc/lb94.py |
LB94.__init__ |
4 |
0 |
0 |
100% |
| gpaw/xc/lb94.py |
LB94.calculate |
9 |
0 |
0 |
100% |
| gpaw/xc/lb94.py |
(no function) |
5 |
0 |
0 |
100% |
| gpaw/xc/lda.py |
stress_integral |
1 |
0 |
0 |
100% |
| gpaw/xc/lda.py |
stress_lda_term |
6 |
1 |
0 |
83% |
| gpaw/xc/lda.py |
LDARadialExpansion.__init__ |
2 |
0 |
0 |
100% |
| gpaw/xc/lda.py |
LDARadialExpansion.__call__ |
13 |
0 |
0 |
100% |
| gpaw/xc/lda.py |
calculate_paw_correction |
23 |
0 |
0 |
100% |
| gpaw/xc/lda.py |
LDARadialCalculator.__init__ |
1 |
0 |
0 |
100% |
| gpaw/xc/lda.py |
LDARadialCalculator.__call__ |
6 |
0 |
0 |
100% |
| gpaw/xc/lda.py |
LDA.__init__ |
2 |
0 |
0 |
100% |
| gpaw/xc/lda.py |
LDA.calculate_impl |
1 |
0 |
0 |
100% |
| gpaw/xc/lda.py |
LDA.calculate_paw_correction |
5 |
0 |
0 |
100% |
| gpaw/xc/lda.py |
LDA.calculate_radial |
2 |
0 |
0 |
100% |
| gpaw/xc/lda.py |
LDA.calculate_spherical |
6 |
0 |
0 |
100% |
| gpaw/xc/lda.py |
LDA.stress_tensor_contribution |
8 |
0 |
0 |
100% |
| gpaw/xc/lda.py |
PurePythonLDAKernel.__init__ |
2 |
0 |
0 |
100% |
| gpaw/xc/lda.py |
PurePythonLDAKernel.calculate |
15 |
0 |
0 |
100% |
| gpaw/xc/lda.py |
lda_x |
9 |
0 |
0 |
100% |
| gpaw/xc/lda.py |
lda_c |
26 |
0 |
0 |
100% |
| gpaw/xc/lda.py |
G |
6 |
0 |
0 |
100% |
| gpaw/xc/lda.py |
lda_constants |
6 |
0 |
0 |
100% |
| gpaw/xc/lda.py |
(no function) |
29 |
0 |
0 |
100% |
| gpaw/xc/libvdwxc.py |
libvdwxc_has_mpi |
1 |
0 |
0 |
100% |
| gpaw/xc/libvdwxc.py |
libvdwxc_has_pfft |
1 |
0 |
0 |
100% |
| gpaw/xc/libvdwxc.py |
libvdwxc_has_spin |
4 |
4 |
0 |
0% |
| gpaw/xc/libvdwxc.py |
libvdwxc_has_stress |
5 |
2 |
0 |
60% |
| gpaw/xc/libvdwxc.py |
check_grid_descriptor |
6 |
6 |
0 |
0% |
| gpaw/xc/libvdwxc.py |
get_domains |
2 |
0 |
0 |
100% |
| gpaw/xc/libvdwxc.py |
get_auto_pfft_grid |
6 |
6 |
0 |
0% |
| gpaw/xc/libvdwxc.py |
LibVDWXC.__init__ |
28 |
10 |
0 |
64% |
| gpaw/xc/libvdwxc.py |
LibVDWXC.initialize_backend |
16 |
5 |
0 |
69% |
| gpaw/xc/libvdwxc.py |
LibVDWXC.calculate |
13 |
3 |
0 |
77% |
| gpaw/xc/libvdwxc.py |
LibVDWXC.get_description |
9 |
9 |
0 |
0% |
| gpaw/xc/libvdwxc.py |
LibVDWXC.tostring |
1 |
0 |
0 |
100% |
| gpaw/xc/libvdwxc.py |
LibVDWXC.__del__ |
2 |
0 |
0 |
100% |
| gpaw/xc/libvdwxc.py |
RedistWrapper.__init__ |
4 |
0 |
0 |
100% |
| gpaw/xc/libvdwxc.py |
RedistWrapper.calculate |
24 |
1 |
0 |
96% |
| gpaw/xc/libvdwxc.py |
FFTDistribution.__init__ |
13 |
2 |
0 |
85% |
| gpaw/xc/libvdwxc.py |
FFTDistribution.__init__.aux_rank_to_parpos |
1 |
0 |
0 |
100% |
| gpaw/xc/libvdwxc.py |
FFTDistribution.block_zeros |
1 |
0 |
0 |
100% |
| gpaw/xc/libvdwxc.py |
FFTDistribution.gd2block |
1 |
0 |
0 |
100% |
| gpaw/xc/libvdwxc.py |
FFTDistribution.block2gd_add |
1 |
0 |
0 |
100% |
| gpaw/xc/libvdwxc.py |
VDWXC.__init__ |
24 |
0 |
0 |
100% |
| gpaw/xc/libvdwxc.py |
VDWXC.__str__ |
10 |
10 |
0 |
0% |
| gpaw/xc/libvdwxc.py |
VDWXC.todict |
2 |
0 |
0 |
100% |
| gpaw/xc/libvdwxc.py |
VDWXC.set_grid_descriptor |
2 |
0 |
0 |
100% |
| gpaw/xc/libvdwxc.py |
VDWXC.get_description |
18 |
3 |
0 |
83% |
| gpaw/xc/libvdwxc.py |
VDWXC.summary |
7 |
0 |
0 |
100% |
| gpaw/xc/libvdwxc.py |
VDWXC.get_setup_name |
1 |
0 |
0 |
100% |
| gpaw/xc/libvdwxc.py |
VDWXC.initialize_backend |
10 |
1 |
0 |
90% |
| gpaw/xc/libvdwxc.py |
VDWXC.set_positions |
1 |
0 |
0 |
100% |
| gpaw/xc/libvdwxc.py |
VDWXC.initialize |
7 |
1 |
0 |
86% |
| gpaw/xc/libvdwxc.py |
VDWXC.calculate_vdw |
5 |
0 |
0 |
100% |
| gpaw/xc/libvdwxc.py |
VDWXC.calculate_impl |
16 |
0 |
0 |
100% |
| gpaw/xc/libvdwxc.py |
VDWXC.stress_tensor_contribution |
13 |
13 |
0 |
0% |
| gpaw/xc/libvdwxc.py |
VDWXC.grad_v |
1 |
0 |
0 |
100% |
| gpaw/xc/libvdwxc.py |
VDWXC.dedtaut_sG |
1 |
1 |
0 |
0% |
| gpaw/xc/libvdwxc.py |
VDWXC.tauct |
3 |
3 |
0 |
0% |
| gpaw/xc/libvdwxc.py |
vdw_df |
3 |
0 |
0 |
100% |
| gpaw/xc/libvdwxc.py |
vdw_df2 |
3 |
0 |
0 |
100% |
| gpaw/xc/libvdwxc.py |
vdw_df_cx |
6 |
0 |
0 |
100% |
| gpaw/xc/libvdwxc.py |
vdw_optPBE |
3 |
0 |
0 |
100% |
| gpaw/xc/libvdwxc.py |
vdw_optB88 |
3 |
0 |
0 |
100% |
| gpaw/xc/libvdwxc.py |
vdw_C09 |
3 |
0 |
0 |
100% |
| gpaw/xc/libvdwxc.py |
vdw_beef |
5 |
0 |
0 |
100% |
| gpaw/xc/libvdwxc.py |
vdw_mbeef |
5 |
0 |
0 |
100% |
| gpaw/xc/libvdwxc.py |
get_libvdwxc_functional |
12 |
2 |
0 |
83% |
| gpaw/xc/libvdwxc.py |
CXGGAKernel.__init__ |
6 |
6 |
0 |
0% |
| gpaw/xc/libvdwxc.py |
CXGGAKernel.calculate |
6 |
6 |
0 |
0% |
| gpaw/xc/libvdwxc.py |
CXGGAKernel._exchange |
30 |
30 |
0 |
0% |
| gpaw/xc/libvdwxc.py |
test_derivatives |
28 |
28 |
0 |
0% |
| gpaw/xc/libvdwxc.py |
test_derivatives.check |
5 |
5 |
0 |
0% |
| gpaw/xc/libvdwxc.py |
test_derivatives.check_and_write |
23 |
23 |
0 |
0% |
| gpaw/xc/libvdwxc.py |
test_selfconsistent |
34 |
34 |
0 |
0% |
| gpaw/xc/libvdwxc.py |
test_selfconsistent.test |
3 |
3 |
0 |
0% |
| gpaw/xc/libvdwxc.py |
(no function) |
74 |
1 |
0 |
99% |
| gpaw/xc/libxc.py |
LibXC.__init__ |
6 |
1 |
0 |
83% |
| gpaw/xc/libxc.py |
LibXC.initialize |
37 |
3 |
0 |
92% |
| gpaw/xc/libxc.py |
LibXC.calculate |
6 |
0 |
0 |
100% |
| gpaw/xc/libxc.py |
LibXC.set_omega |
5 |
1 |
0 |
80% |
| gpaw/xc/libxc.py |
(no function) |
11 |
0 |
0 |
100% |
| gpaw/xc/mgga.py |
MGGA.__init__ |
4 |
0 |
0 |
100% |
| gpaw/xc/mgga.py |
MGGA.set_grid_descriptor |
2 |
0 |
0 |
100% |
| gpaw/xc/mgga.py |
MGGA.get_setup_name |
1 |
0 |
0 |
100% |
| gpaw/xc/mgga.py |
MGGA.get_description |
1 |
0 |
0 |
100% |
| gpaw/xc/mgga.py |
MGGA.initialize |
21 |
14 |
0 |
33% |
| gpaw/xc/mgga.py |
MGGA.set_positions |
5 |
0 |
0 |
100% |
| gpaw/xc/mgga.py |
MGGA.calculate_impl |
3 |
0 |
0 |
100% |
| gpaw/xc/mgga.py |
MGGA.fix_kinetic_energy_density |
3 |
0 |
0 |
100% |
| gpaw/xc/mgga.py |
MGGA.process_mgga |
20 |
0 |
0 |
100% |
| gpaw/xc/mgga.py |
MGGA.stress_mgga_term |
21 |
0 |
0 |
100% |
| gpaw/xc/mgga.py |
MGGA.stress_tensor_contribution |
19 |
1 |
0 |
95% |
| gpaw/xc/mgga.py |
MGGA.apply_orbital_dependent_hamiltonian |
1 |
0 |
0 |
100% |
| gpaw/xc/mgga.py |
MGGA.calculate_paw_correction |
13 |
0 |
0 |
100% |
| gpaw/xc/mgga.py |
MGGA.create_mgga_radial_calculator |
4 |
0 |
0 |
100% |
| gpaw/xc/mgga.py |
MGGA.create_mgga_radial_calculator.MockKernel.__init__ |
1 |
0 |
0 |
100% |
| gpaw/xc/mgga.py |
MGGA.create_mgga_radial_calculator.MockKernel.calculate |
1 |
0 |
0 |
100% |
| gpaw/xc/mgga.py |
MGGA.mgga_radial |
20 |
0 |
0 |
100% |
| gpaw/xc/mgga.py |
MGGA.add_forces |
4 |
0 |
0 |
100% |
| gpaw/xc/mgga.py |
MGGA.estimate_memory |
2 |
0 |
0 |
100% |
| gpaw/xc/mgga.py |
MGGA.initialize_kinetic |
8 |
0 |
0 |
100% |
| gpaw/xc/mgga.py |
create_kinetic |
33 |
0 |
0 |
100% |
| gpaw/xc/mgga.py |
PurePython2DMGGAKernel.__init__ |
4 |
0 |
0 |
100% |
| gpaw/xc/mgga.py |
PurePython2DMGGAKernel.calculate |
25 |
13 |
0 |
48% |
| gpaw/xc/mgga.py |
twodexchange |
15 |
0 |
0 |
100% |
| gpaw/xc/mgga.py |
LegendreFx2 |
11 |
0 |
0 |
100% |
| gpaw/xc/mgga.py |
transformation |
9 |
1 |
0 |
89% |
| gpaw/xc/mgga.py |
get_alpha |
10 |
0 |
0 |
100% |
| gpaw/xc/mgga.py |
ueg_x |
5 |
0 |
0 |
100% |
| gpaw/xc/mgga.py |
legendre_polynomial |
2 |
0 |
0 |
100% |
| gpaw/xc/mgga.py |
(no function) |
37 |
0 |
0 |
100% |
| gpaw/xc/noncollinear.py |
NonCollinearLDAKernel.__init__ |
1 |
0 |
0 |
100% |
| gpaw/xc/noncollinear.py |
NonCollinearLDAKernel.calculate |
14 |
0 |
0 |
100% |
| gpaw/xc/noncollinear.py |
NonCollinearLCAOEigensolver.iterate |
7 |
0 |
0 |
100% |
| gpaw/xc/noncollinear.py |
NonCollinearLCAOEigensolver.iterate_one_k_point |
24 |
1 |
0 |
96% |
| gpaw/xc/noncollinear.py |
(no function) |
11 |
0 |
0 |
100% |
| gpaw/xc/parametrizedxc.py |
ParametrizedKernel.__init__ |
11 |
1 |
0 |
91% |
| gpaw/xc/parametrizedxc.py |
ParametrizedKernel.calculate |
16 |
4 |
0 |
75% |
| gpaw/xc/parametrizedxc.py |
(no function) |
6 |
0 |
0 |
100% |
| gpaw/xc/pawcorrection.py |
PAWXCCorrection.__init__ |
45 |
0 |
0 |
100% |
| gpaw/xc/pawcorrection.py |
PAWXCCorrection.four_phi_integrals |
19 |
0 |
0 |
100% |
| gpaw/xc/pawcorrection.py |
(no function) |
14 |
0 |
0 |
100% |
| gpaw/xc/qna.py |
QNAKernel.__init__ |
4 |
0 |
0 |
100% |
| gpaw/xc/qna.py |
QNAKernel.calculate |
55 |
2 |
0 |
96% |
| gpaw/xc/qna.py |
QNA.__init__ |
8 |
0 |
0 |
100% |
| gpaw/xc/qna.py |
QNA.todict |
2 |
2 |
0 |
0% |
| gpaw/xc/qna.py |
QNA.set_grid_descriptor |
13 |
0 |
0 |
100% |
| gpaw/xc/qna.py |
QNA.set_positions |
1 |
0 |
0 |
100% |
| gpaw/xc/qna.py |
QNA.calculate_spatial_parameters |
17 |
0 |
0 |
100% |
| gpaw/xc/qna.py |
QNA.calculate_paw_correction |
2 |
0 |
0 |
100% |
| gpaw/xc/qna.py |
QNA.get_setup_name |
1 |
0 |
0 |
100% |
| gpaw/xc/qna.py |
QNA.get_description |
1 |
0 |
0 |
100% |
| gpaw/xc/qna.py |
QNA.add_forces |
37 |
0 |
0 |
100% |
| gpaw/xc/qna.py |
(no function) |
18 |
0 |
0 |
100% |
| gpaw/xc/ri/__init__.py |
RI |
3 |
1 |
0 |
67% |
| gpaw/xc/ri/__init__.py |
RIXC.__init__ |
4 |
0 |
0 |
100% |
| gpaw/xc/ri/__init__.py |
RIXC.initialize |
8 |
2 |
0 |
75% |
| gpaw/xc/ri/__init__.py |
RIXC.get_setup_name |
1 |
0 |
0 |
100% |
| gpaw/xc/ri/__init__.py |
RIXC.set_grid_descriptor |
1 |
0 |
0 |
100% |
| gpaw/xc/ri/__init__.py |
RIXC.set_positions |
1 |
0 |
0 |
100% |
| gpaw/xc/ri/__init__.py |
RIXC.get_description |
1 |
0 |
0 |
100% |
| gpaw/xc/ri/__init__.py |
RIXC.calculate |
3 |
0 |
0 |
100% |
| gpaw/xc/ri/__init__.py |
RIXC.calculate_paw_correction |
9 |
0 |
0 |
100% |
| gpaw/xc/ri/__init__.py |
RIXC.get_kinetic_energy_correction |
1 |
0 |
0 |
100% |
| gpaw/xc/ri/__init__.py |
RIXC.summary |
1 |
0 |
0 |
100% |
| gpaw/xc/ri/__init__.py |
(no function) |
19 |
0 |
0 |
100% |
| gpaw/xc/ri/ribasis.py |
generate_ri_basis |
20 |
20 |
0 |
0% |
| gpaw/xc/ri/ribasis.py |
generate_ri_basis.poisson |
1 |
1 |
0 |
0% |
| gpaw/xc/ri/ribasis.py |
generate_ri_basis.add |
2 |
2 |
0 |
0% |
| gpaw/xc/ri/ribasis.py |
generate_ri_basis.basisloop |
2 |
2 |
0 |
0% |
| gpaw/xc/ri/ribasis.py |
Hartree |
4 |
4 |
0 |
0% |
| gpaw/xc/ri/ribasis.py |
(no function) |
5 |
0 |
0 |
100% |
| gpaw/xc/ri/spherical_hse_kernel.py |
safeerfc |
2 |
0 |
0 |
100% |
| gpaw/xc/ri/spherical_hse_kernel.py |
Dnk |
9 |
0 |
0 |
100% |
| gpaw/xc/ri/spherical_hse_kernel.py |
Phinj |
4 |
0 |
0 |
100% |
| gpaw/xc/ri/spherical_hse_kernel.py |
Hn |
1 |
0 |
0 |
100% |
| gpaw/xc/ri/spherical_hse_kernel.py |
Fn |
6 |
0 |
0 |
100% |
| gpaw/xc/ri/spherical_hse_kernel.py |
Phi |
10 |
0 |
0 |
100% |
| gpaw/xc/ri/spherical_hse_kernel.py |
RadialHSE.__init__ |
11 |
0 |
0 |
100% |
| gpaw/xc/ri/spherical_hse_kernel.py |
RadialHSE.screened_coulomb |
5 |
0 |
0 |
100% |
| gpaw/xc/ri/spherical_hse_kernel.py |
RadialHSE.screened_coulomb_dv |
1 |
0 |
0 |
100% |
| gpaw/xc/ri/spherical_hse_kernel.py |
(no function) |
14 |
0 |
0 |
100% |
| gpaw/xc/rpa.py |
default_ecut_extrapolation |
1 |
1 |
0 |
0% |
| gpaw/xc/rpa.py |
GCut.__init__ |
1 |
0 |
0 |
100% |
| gpaw/xc/rpa.py |
GCut.nG |
1 |
0 |
0 |
100% |
| gpaw/xc/rpa.py |
GCut.spin_cut |
6 |
0 |
0 |
100% |
| gpaw/xc/rpa.py |
GCut.cut |
5 |
0 |
0 |
100% |
| gpaw/xc/rpa.py |
initialize_q_points |
8 |
0 |
0 |
100% |
| gpaw/xc/rpa.py |
RPAIntegral.nq |
1 |
0 |
0 |
100% |
| gpaw/xc/rpa.py |
RPAIntegral.nw |
3 |
0 |
0 |
100% |
| gpaw/xc/rpa.py |
RPAIntegral.ni |
1 |
0 |
0 |
100% |
| gpaw/xc/rpa.py |
RPAIntegral.integrate_frequencies |
2 |
0 |
0 |
100% |
| gpaw/xc/rpa.py |
RPAIntegral.integrate_qpoints |
2 |
0 |
0 |
100% |
| gpaw/xc/rpa.py |
RPAData.__post_init__ |
1 |
0 |
0 |
100% |
| gpaw/xc/rpa.py |
RPAData.shape |
1 |
0 |
0 |
100% |
| gpaw/xc/rpa.py |
RPAData.contribution_from_qpoint |
1 |
0 |
0 |
100% |
| gpaw/xc/rpa.py |
RPAData.energy_wqi |
1 |
0 |
0 |
100% |
| gpaw/xc/rpa.py |
RPAData.energy_qi |
1 |
0 |
0 |
100% |
| gpaw/xc/rpa.py |
RPAData.energy_wi |
1 |
0 |
0 |
100% |
| gpaw/xc/rpa.py |
RPAData.energy_i |
1 |
0 |
0 |
100% |
| gpaw/xc/rpa.py |
RPACalculator.__init__ |
14 |
1 |
0 |
93% |
| gpaw/xc/rpa.py |
RPACalculator.calculate |
2 |
0 |
0 |
100% |
| gpaw/xc/rpa.py |
RPACalculator.calculate_all_contributions |
52 |
1 |
0 |
98% |
| gpaw/xc/rpa.py |
RPACalculator.calculate_q_rpa |
11 |
0 |
0 |
100% |
| gpaw/xc/rpa.py |
RPACalculator.calculate_optical_limit_rpa_energies |
10 |
0 |
0 |
100% |
| gpaw/xc/rpa.py |
RPACalculator.calculate_rpa_energies |
2 |
0 |
0 |
100% |
| gpaw/xc/rpa.py |
RPACalculator.extrapolate |
10 |
0 |
0 |
100% |
| gpaw/xc/rpa.py |
single_rpa_energy |
5 |
0 |
0 |
100% |
| gpaw/xc/rpa.py |
get_gauss_legendre_points |
9 |
0 |
0 |
100% |
| gpaw/xc/rpa.py |
RPACorrelation.__init__ |
10 |
2 |
0 |
80% |
| gpaw/xc/rpa.py |
RPACorrelation.print_initialization |
39 |
1 |
0 |
97% |
| gpaw/xc/rpa.py |
(no function) |
65 |
0 |
0 |
100% |
| gpaw/xc/sic.py |
matrix_exponential |
13 |
13 |
0 |
0% |
| gpaw/xc/sic.py |
ortho |
11 |
11 |
0 |
0% |
| gpaw/xc/sic.py |
random_unitary_matrix |
16 |
13 |
0 |
19% |
| gpaw/xc/sic.py |
SIC.__init__ |
8 |
1 |
0 |
88% |
| gpaw/xc/sic.py |
SIC.todict |
1 |
1 |
0 |
0% |
| gpaw/xc/sic.py |
SIC.initialize |
16 |
0 |
0 |
100% |
| gpaw/xc/sic.py |
SIC.get_setup_name |
1 |
1 |
0 |
0% |
| gpaw/xc/sic.py |
SIC.calculate_paw_correction |
1 |
1 |
0 |
0% |
| gpaw/xc/sic.py |
SIC.set_positions |
1 |
0 |
0 |
100% |
| gpaw/xc/sic.py |
SIC.calculate |
11 |
11 |
0 |
0% |
| gpaw/xc/sic.py |
SIC.apply_orbital_dependent_hamiltonian |
4 |
4 |
0 |
0% |
| gpaw/xc/sic.py |
SIC.correct_hamiltonian_matrix |
4 |
4 |
0 |
0% |
| gpaw/xc/sic.py |
SIC.add_correction |
6 |
6 |
0 |
0% |
| gpaw/xc/sic.py |
SIC.rotate |
1 |
1 |
0 |
0% |
| gpaw/xc/sic.py |
SIC.setup_force_corrections |
4 |
4 |
0 |
0% |
| gpaw/xc/sic.py |
SIC.add_forces |
1 |
1 |
0 |
0% |
| gpaw/xc/sic.py |
SIC.summary |
32 |
32 |
0 |
0% |
| gpaw/xc/sic.py |
SIC.read |
8 |
0 |
0 |
100% |
| gpaw/xc/sic.py |
SIC.write |
8 |
8 |
0 |
0% |
| gpaw/xc/sic.py |
SIC.get_unitary_transformation |
19 |
19 |
0 |
0% |
| gpaw/xc/sic.py |
SICSpin.__init__ |
39 |
0 |
0 |
100% |
| gpaw/xc/sic.py |
SICSpin.initialize_orbitals |
31 |
4 |
0 |
87% |
| gpaw/xc/sic.py |
SICSpin.localize_orbitals |
15 |
15 |
0 |
0% |
| gpaw/xc/sic.py |
SICSpin.rattle_orbitals |
7 |
7 |
0 |
0% |
| gpaw/xc/sic.py |
SICSpin.get_centers |
11 |
11 |
0 |
0% |
| gpaw/xc/sic.py |
SICSpin.calculate_sic_matrixelements |
13 |
13 |
0 |
0% |
| gpaw/xc/sic.py |
SICSpin.update_optimal_states |
6 |
0 |
0 |
100% |
| gpaw/xc/sic.py |
SICSpin.calculate_density |
14 |
1 |
0 |
93% |
| gpaw/xc/sic.py |
SICSpin.update_potentials |
75 |
12 |
0 |
84% |
| gpaw/xc/sic.py |
SICSpin.apply_orbital_dependent_hamiltonian |
1 |
1 |
0 |
0% |
| gpaw/xc/sic.py |
SICSpin.correct_hamiltonian_matrix |
11 |
11 |
0 |
0% |
| gpaw/xc/sic.py |
SICSpin.calculate_residual |
34 |
34 |
0 |
0% |
| gpaw/xc/sic.py |
SICSpin.calculate_residual_change |
36 |
36 |
0 |
0% |
| gpaw/xc/sic.py |
SICSpin.rotate |
5 |
5 |
0 |
0% |
| gpaw/xc/sic.py |
SICSpin.add_forces |
14 |
14 |
0 |
0% |
| gpaw/xc/sic.py |
SICSpin.calculate |
4 |
4 |
0 |
0% |
| gpaw/xc/sic.py |
SICSpin.unitary_optimization |
213 |
213 |
0 |
0% |
| gpaw/xc/sic.py |
(no function) |
55 |
0 |
0 |
100% |
| gpaw/xc/tb09.py |
TB09Kernel.__init__ |
7 |
0 |
0 |
100% |
| gpaw/xc/tb09.py |
TB09Kernel.calculate |
49 |
2 |
0 |
96% |
| gpaw/xc/tb09.py |
TB09.__init__ |
1 |
0 |
0 |
100% |
| gpaw/xc/tb09.py |
TB09.get_setup_name |
1 |
0 |
0 |
100% |
| gpaw/xc/tb09.py |
TB09.initialize |
4 |
0 |
0 |
100% |
| gpaw/xc/tb09.py |
TB09.create_mgga_radial_calculator |
3 |
0 |
0 |
100% |
| gpaw/xc/tb09.py |
TB09.create_mgga_radial_calculator.f |
4 |
0 |
0 |
100% |
| gpaw/xc/tb09.py |
TB09.apply_orbital_dependent_hamiltonian |
1 |
0 |
0 |
100% |
| gpaw/xc/tb09.py |
TB09.c |
1 |
0 |
0 |
100% |
| gpaw/xc/tb09.py |
(no function) |
20 |
0 |
0 |
100% |
| gpaw/xc/tools.py |
vxc |
49 |
4 |
0 |
92% |
| gpaw/xc/tools.py |
(no function) |
5 |
0 |
0 |
100% |
| gpaw/xc/vdw.py |
T |
1 |
1 |
0 |
0% |
| gpaw/xc/vdw.py |
W |
1 |
1 |
0 |
0% |
| gpaw/xc/vdw.py |
nu |
1 |
1 |
0 |
0% |
| gpaw/xc/vdw.py |
f |
5 |
5 |
0 |
0% |
| gpaw/xc/vdw.py |
phi |
4 |
4 |
0 |
0% |
| gpaw/xc/vdw.py |
phi_asymptotic |
3 |
3 |
0 |
0% |
| gpaw/xc/vdw.py |
hRPS |
12 |
0 |
0 |
100% |
| gpaw/xc/vdw.py |
VDWFunctional |
29 |
5 |
0 |
83% |
| gpaw/xc/vdw.py |
VDWFunctionalBase.__init__ |
21 |
3 |
0 |
86% |
| gpaw/xc/vdw.py |
VDWFunctionalBase.get_setup_name |
1 |
0 |
0 |
100% |
| gpaw/xc/vdw.py |
VDWFunctionalBase.get_Ecnl |
1 |
0 |
0 |
100% |
| gpaw/xc/vdw.py |
VDWFunctionalBase.stress_tensor_contribution |
1 |
1 |
0 |
0% |
| gpaw/xc/vdw.py |
VDWFunctionalBase.calculate_impl |
4 |
0 |
0 |
100% |
| gpaw/xc/vdw.py |
VDWFunctionalBase.calculate_exchange |
1 |
1 |
0 |
0% |
| gpaw/xc/vdw.py |
VDWFunctionalBase.calculate_correlation |
20 |
1 |
0 |
95% |
| gpaw/xc/vdw.py |
VDWFunctionalBase.get_non_local_energy |
17 |
1 |
0 |
94% |
| gpaw/xc/vdw.py |
VDWFunctionalBase.read_table |
11 |
2 |
0 |
82% |
| gpaw/xc/vdw.py |
VDWFunctionalBase.make_table |
25 |
25 |
0 |
0% |
| gpaw/xc/vdw.py |
VDWFunctionalBase.make_prl_plot |
12 |
12 |
0 |
0% |
| gpaw/xc/vdw.py |
VDWFunctionalBase.phi |
19 |
0 |
0 |
100% |
| gpaw/xc/vdw.py |
RealSpaceVDWFunctional.__init__ |
3 |
3 |
0 |
0% |
| gpaw/xc/vdw.py |
RealSpaceVDWFunctional.calculate_6d_integral |
49 |
49 |
0 |
0% |
| gpaw/xc/vdw.py |
FFTVDWFunctional.__init__ |
9 |
0 |
0 |
100% |
| gpaw/xc/vdw.py |
FFTVDWFunctional.initialize |
3 |
0 |
0 |
100% |
| gpaw/xc/vdw.py |
FFTVDWFunctional.get_alphas |
8 |
4 |
0 |
50% |
| gpaw/xc/vdw.py |
FFTVDWFunctional.initialize_more_things |
17 |
2 |
0 |
88% |
| gpaw/xc/vdw.py |
FFTVDWFunctional.construct_cubic_splines |
31 |
0 |
0 |
100% |
| gpaw/xc/vdw.py |
FFTVDWFunctional.p |
4 |
4 |
0 |
0% |
| gpaw/xc/vdw.py |
FFTVDWFunctional.construct_fourier_transformed_kernels |
16 |
0 |
0 |
100% |
| gpaw/xc/vdw.py |
FFTVDWFunctional.set_grid_descriptor |
12 |
5 |
0 |
58% |
| gpaw/xc/vdw.py |
FFTVDWFunctional.calculate_6d_integral |
84 |
4 |
0 |
95% |
| gpaw/xc/vdw.py |
FFTVDWFunctional.calculate_potential |
34 |
0 |
0 |
100% |
| gpaw/xc/vdw.py |
GGAFFTVDWFunctional.__init__ |
3 |
0 |
0 |
100% |
| gpaw/xc/vdw.py |
GGAFFTVDWFunctional.calculate_exchange |
1 |
0 |
0 |
100% |
| gpaw/xc/vdw.py |
GGAFFTVDWFunctional.set_grid_descriptor |
2 |
0 |
0 |
100% |
| gpaw/xc/vdw.py |
GGARealSpaceVDWFunctional.__init__ |
3 |
3 |
0 |
0% |
| gpaw/xc/vdw.py |
GGARealSpaceVDWFunctional.calculate_exchange |
1 |
1 |
0 |
0% |
| gpaw/xc/vdw.py |
GGARealSpaceVDWFunctional.set_grid_descriptor |
1 |
1 |
0 |
0% |
| gpaw/xc/vdw.py |
MGGAFFTVDWFunctional.__init__ |
3 |
0 |
0 |
100% |
| gpaw/xc/vdw.py |
MGGAFFTVDWFunctional.calculate_exchange |
1 |
0 |
0 |
100% |
| gpaw/xc/vdw.py |
MGGAFFTVDWFunctional.initialize |
2 |
0 |
0 |
100% |
| gpaw/xc/vdw.py |
MGGAFFTVDWFunctional.set_grid_descriptor |
4 |
1 |
0 |
75% |
| gpaw/xc/vdw.py |
spline |
18 |
0 |
0 |
100% |
| gpaw/xc/vdw.py |
(no function) |
67 |
0 |
0 |
100% |
| gpaw/zero_field_splitting.py |
zfs |
19 |
3 |
0 |
84% |
| gpaw/zero_field_splitting.py |
WaveFunctions.__init__ |
5 |
0 |
0 |
100% |
| gpaw/zero_field_splitting.py |
WaveFunctions.from_calc |
6 |
0 |
0 |
100% |
| gpaw/zero_field_splitting.py |
WaveFunctions.__len__ |
1 |
0 |
0 |
100% |
| gpaw/zero_field_splitting.py |
create_compensation_charge |
3 |
0 |
0 |
100% |
| gpaw/zero_field_splitting.py |
zfs1 |
35 |
0 |
0 |
100% |
| gpaw/zero_field_splitting.py |
zfs2 |
3 |
0 |
0 |
100% |
| gpaw/zero_field_splitting.py |
convert_tensor |
18 |
7 |
0 |
61% |
| gpaw/zero_field_splitting.py |
main |
21 |
21 |
0 |
0% |
| gpaw/zero_field_splitting.py |
(no function) |
25 |
1 |
0 |
96% |