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qe_profile_and_pseudo -> qe_pseudo
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gelzinyte committed Jul 29, 2024
1 parent 6486555 commit f0e33d4
Showing 1 changed file with 9 additions and 9 deletions.
18 changes: 9 additions & 9 deletions tests/calculators/test_qe.py
Original file line number Diff line number Diff line change
Expand Up @@ -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
Expand Down Expand Up @@ -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),
Expand Down Expand Up @@ -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")
Expand Down Expand Up @@ -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(
Expand All @@ -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(
Expand Down

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