Coverage for gpaw/test/sjm/conftest.py: 55%

1import pytest 

2from .base_calc import calculator 

3from ase.build import fcc111 

4 

5 

6@pytest.fixture 

7def atoms(): 

8 pytest.skip('https://gitlab.com/gpaw/gpaw/-/issues/1381') 

9 atoms = fcc111('H', size=(1, 1, 1), a=2.5) 

10 atoms.center(axis=2, vacuum=5) 

11 atoms.cell[2][2] = 10 

12 atoms.calc = calculator() 

13 return atoms