diff --git a/tests/calculators/test_qe.py b/tests/calculators/test_qe.py index c10afe15..dac4d062 100644 --- a/tests/calculators/test_qe.py +++ b/tests/calculators/test_qe.py @@ -36,7 +36,7 @@ @fixture(scope="session") -def qe_profile_and_pseudo(tmp_path_factory): +def qe_pseudo(tmp_path_factory): """Quantum Espresso fixture - copies a pseudo-potential for Si @@ -66,9 +66,9 @@ def qe_profile_and_pseudo(tmp_path_factory): return pspot_file -def test_qe_kpoints(tmp_path, qe_profile_and_pseudo): +def test_qe_kpoints(tmp_path, qe_pseudo): - pspot = qe_profile_and_pseudo + pspot = qe_pseudo kw = dict( pseudopotentials=dict(Si=pspot.name), @@ -163,9 +163,9 @@ def test_qe_kpoints(tmp_path, qe_profile_and_pseudo): assert calc.parameters["koffset"] == (0, 0, 0) -def test_qe_calculation(tmp_path, qe_profile_and_pseudo): +def test_qe_calculation(tmp_path, qe_pseudo): - pspot = qe_profile_and_pseudo + pspot = qe_pseudo # atoms at = bulk("Si") @@ -222,9 +222,9 @@ def test_qe_calculation(tmp_path, qe_profile_and_pseudo): assert si2.arrays["QE_forces"][0] == approx(-1 * si2.arrays["QE_forces"][1]) -def test_wfl_Espresso_calc(tmp_path, qe_profile_and_pseudo): +def test_wfl_Espresso_calc(tmp_path, qe_pseudo): - pspot = qe_profile_and_pseudo + pspot = qe_pseudo atoms = Atoms("Si", cell=(2, 2, 2), pbc=[True] * 3) kw = dict( @@ -246,9 +246,9 @@ def test_wfl_Espresso_calc(tmp_path, qe_profile_and_pseudo): atoms.get_stress() -def test_wfl_Espresso_calc_via_generic(tmp_path, qe_profile_and_pseudo): +def test_wfl_Espresso_calc_via_generic(tmp_path, qe_pseudo): - pspot = qe_profile_and_pseudo + pspot = qe_pseudo atoms = Atoms("Si", cell=(2, 2, 2), pbc=[True] * 3) kw = dict(