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Expand file tree Collapse file tree Original file line number Diff line number Diff line change @@ -80,17 +80,25 @@ def test_get_running_workchains(generate_workchain_pw_node):
8080@pytest .mark .usefixtures ('aiida_profile' )
8181def test_submit_and_get_workchains (fixture_code ):
8282 """Test the :func:`sscha.aiida_ensemble.submit_and_get_workchains` method."""
83+ from ase .build import bulk
8384 from cellconstructor .Structure import Structure
8485 from sscha .aiida_ensemble import submit_and_get_workchains
8586
8687 pw_code = fixture_code ('quantumespresso.pw' )
87- structures = [Structure (nat = 1 ) for _ in range (5 )]
88+
89+ structures = []
90+ for _ in range (5 ):
91+ atoms = bulk ('Si' , cubic = True )
92+ structure = Structure ()
93+ structure .generate_from_ase_atoms (atoms )
94+ structures .append (structure )
8895
8996 workchains = submit_and_get_workchains (
9097 structures = structures ,
9198 pw_code = pw_code ,
9299 temperature = 300 ,
93100 dft_indices = [0 ,1 ,2 ,3 ,4 ],
101+ waiting_time = 0.01 ,
94102 )
95103
96104 assert len (workchains ) == 5
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