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PwCalculation: fix bug when hubbard_file is specified #596

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merged 1 commit into from
Oct 24, 2020
Merged

PwCalculation: fix bug when hubbard_file is specified #596

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4 changes: 2 additions & 2 deletions aiida_quantumespresso/calculations/__init__.py
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Original file line number Diff line number Diff line change
Expand Up @@ -122,9 +122,9 @@ def prepare_for_submission(self, folder):
local_copy_list.append((uuid, src_path, dst_path))

if 'hubbard_file' in self.inputs:
uuid = self.inputs.hubbard_file.filename
uuid = self.inputs.hubbard_file.uuid
src_path = self.inputs.hubbard_file.filename
dst_path = self.input_file_name_hubbard_file
dst_path = self.filename_input_hubbard_parameters
local_copy_list.append((uuid, src_path, dst_path))

arguments = [
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4 changes: 2 additions & 2 deletions aiida_quantumespresso/calculations/pw.py
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Original file line number Diff line number Diff line change
Expand Up @@ -145,7 +145,7 @@ def define(cls, spec):
message='The variable cell optimization broke the symmetry of the k-points.')

@classproperty
def input_file_name_hubbard_file(cls):
def filename_input_hubbard_parameters(cls):
"""Return the relative file name of the file containing the Hubbard parameters.

.. note:: This only applies if they should be read from file instead of specified in the input file cards.
Expand All @@ -159,7 +159,7 @@ def input_file_name_hubbard_file(cls):
'this is determined by the aiida-quantumespresso-hp plugin but it is not installed'
) from exc

return HpCalculation.input_file_name_hubbard_file
return HpCalculation.filename_input_hubbard_parameters

@classmethod
def input_helper(cls, *args, **kwargs):
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