Coverage for gpaw/test/test_ae.py: 100%

1from ase import Atoms 

2from gpaw import GPAW 

3 

4 

5def test_ae_potential(): 

6 h = Atoms('H', 

7 cell=[2.01, 2.01, 2.01], 

8 pbc=True) 

9 h.calc = GPAW( 

10 mode='lcao', 

11 setups='ae', 

12 xc='PBE') 

13 f = h.get_forces() 

14 assert abs(f).max() < 1e-14