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Fix tests
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tests/workflows/phonons/test_phonon.py

Lines changed: 14 additions & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -19,7 +19,7 @@
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def generate_workchain_phonon(generate_workchain, generate_inputs_pw_base):
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"""Generate an instance of a `PhononWorkChain`."""
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22-
def _generate_workchain_phonon(structure=None, append_inputs=None, return_inputs=False):
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def _generate_workchain_phonon(structure=None, append_inputs=None, return_inputs=False, the_inputs=None):
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entry_point = 'vibroscopy.phonons.phonon'
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scf_inputs = generate_inputs_pw_base()
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@@ -31,6 +31,7 @@ def _generate_workchain_phonon(structure=None, append_inputs=None, return_inputs
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'scf': scf_inputs,
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'settings': {
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'sleep_submission_time': 0.,
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'max_concurrent_base_workchains': -1,
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},
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'symmetry': {},
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}
@@ -41,6 +42,9 @@ def _generate_workchain_phonon(structure=None, append_inputs=None, return_inputs
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if append_inputs is not None:
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inputs.update(append_inputs)
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45+
if the_inputs is not None:
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inputs = the_inputs
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process = generate_workchain(entry_point, inputs)
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return process
@@ -193,6 +197,15 @@ def test_set_reference_kpoints(generate_workchain_phonon):
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assert 'kpoints' in process.ctx
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inputs = generate_workchain_phonon(return_inputs=True)
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inputs['scf'].pop('kpoints')
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inputs['scf']['kpoints_distance'] = 0.1
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process = generate_workchain_phonon(the_inputs=inputs)
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process.setup()
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process.set_reference_kpoints()
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assert 'kpoints' in process.ctx
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@pytest.mark.usefixtures('aiida_profile')
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def test_run_base_supercell(generate_workchain_phonon):

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