Coverage for gpaw/test/pw/test_moleculecg.py: 100%

1# fails with On entry to ZGEMV parameter number 8 had an illegal value 

2 

3import pytest 

4from gpaw.mpi import world 

5from ase.build import molecule 

6from gpaw import GPAW 

7from gpaw import PW 

8 

9pytestmark = pytest.mark.skipif(world.size > 1, 

10 reason='world.size > 1') 

11 

12 

13@pytest.mark.legacy 

14def test_pw_moleculecg(): 

15 m = molecule('H') 

16 m.center(vacuum=2.0) 

17 m.calc = GPAW(mode=PW(), eigensolver='cg') 

18 m.get_potential_energy()