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Fix pre-commit
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mbercx committed May 6, 2021
1 parent 4b3bafc commit 1a6278a
Showing 1 changed file with 7 additions and 5 deletions.
12 changes: 7 additions & 5 deletions aiida_quantumespresso/workflows/pw/base.py
Original file line number Diff line number Diff line change
Expand Up @@ -194,16 +194,18 @@ def get_builder_from_protocol(
parameters['SYSTEM']['nspin'] = 2
parameters['SYSTEM']['starting_magnetization'] = starting_magnetization

builder.pw['code'] = code # pylint: disable=no-member
builder.pw['pseudos'] = pseudo_family.get_pseudos(structure=structure) # pylint: disable=no-member
builder.pw['structure'] = structure # pylint: disable=no-member
builder.pw['parameters'] = orm.Dict(dict=parameters) # pylint: disable=no-member
builder.pw['metadata'] = inputs['pw']['metadata'] # pylint: disable=no-member
# pylint: disable=no-member
builder.pw['code'] = code
builder.pw['pseudos'] = pseudo_family.get_pseudos(structure=structure)
builder.pw['structure'] = structure
builder.pw['parameters'] = orm.Dict(dict=parameters)
builder.pw['metadata'] = inputs['pw']['metadata']
if 'parallelization' in inputs['pw']:
builder.pw['parallelization'] = orm.Dict(dict=inputs['pw']['parallelization'])
builder.clean_workdir = orm.Bool(inputs['clean_workdir'])
builder.kpoints_distance = orm.Float(inputs['kpoints_distance'])
builder.kpoints_force_parity = orm.Bool(inputs['kpoints_force_parity'])
# pylint: enable=no-member

return builder

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