Coverage for gpaw/test/sjm/test_cavitylike.py: 33%

1import pytest 

2 

3 

4@pytest.mark.old_gpaw_only 

5def test_cavitylike(atoms): 

6 charge = 0.2 

7 atoms.calc.set(sj={'jelliumregion': {'bottom': 'cavity_like'}, 

8 'target_potential': None, 

9 'excess_electrons': 0.2}) 

10 atoms.get_potential_energy() 

11 bc = atoms.calc.parameters.background_charge.todict() 

12 assert bc['charge'] == charge 

13 assert bc['z1'] == 'cavity_like'