Coverage for gpaw/test/gllb/test_gllbghost.py: 100%

1import pytest 

2from ase.build import molecule 

3from gpaw import GPAW 

4 

5 

6@pytest.mark.libxc 

7@pytest.mark.gllb 

8def test_gllbghost(): 

9 atoms = molecule('H2') 

10 atoms.center(vacuum=2) 

11 calc = GPAW(mode='lcao', basis='dzp', setups={0: 'paw', 1: 'ghost'}, 

12 xc='GLLBSC') 

13 atoms.calc = calc 

14 atoms.get_potential_energy()