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PwImmigrant does not parse bands #74

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lekah opened this issue Dec 31, 2017 · 3 comments
Closed

PwImmigrant does not parse bands #74

lekah opened this issue Dec 31, 2017 · 3 comments

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@lekah
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lekah commented Dec 31, 2017

When importing a bands-calculation, the PwImmigrant does not create a BandsData instance.
This needs to be implemented and the documentation updated.

@lekah
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lekah commented Jan 1, 2018

Would the method calc._set_retrieve_temporary_list(retrieve_temporary_list) enforce the copying of the remote wavefunctions? Retrieve_temporary_list is set to
xmlpaths = os.path.join(calc._OUTPUT_SUBFOLDER, calc._PREFIX + '.save', 'K*[0-9]', 'eigenval*.xml') retrieve_temporary_list = [[xmlpaths, '.', 2]]

@lekah
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lekah commented Jan 1, 2018

The above comment indeed fixes this problem:
xmlpaths = os.path.join('out', 'aiida' + '.save', 'K*[0-9]', 'eigenval*.xml') retrieve_temporary_list = [[xmlpaths, '.', 2]] calc_scf._set_retrieve_temporary_list(retrieve_temporary_list) with transport as open_transport: calc_scf.create_input_nodes(open_transport) calc_scf.prepare_for_retrieval_and_parsing(open_transport)

@sphuber
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sphuber commented Jan 2, 2018

This is a duplicate of #53

@borellim borellim added this to the v3.0.0 milestone Dec 3, 2018
@sphuber sphuber closed this as completed Aug 27, 2019
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