Пример #1
0
def test_EVcheck_QHA_2():
    tag = '19c9e217-4159-4bfe-9c3a-940fb40e023e'
    wf = Firework(
        EVcheck_QHA(db_file=db_file,
                    vasp_cmd=">>vasp_cmd<<",
                    tag="test",
                    metadata={'tag': tag},
                    test=True))
    print(wf.as_dict())