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fix lda_plus_u_calculation in output_parameters #936

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fix lda_plus_u_calculation in output_parameters #936

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2 changes: 1 addition & 1 deletion src/aiida_quantumespresso/parsers/parse_xml/parse.py
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Original file line number Diff line number Diff line change
Expand Up @@ -233,7 +233,7 @@ def parse_xml_post_6_2(xml):
'starting_magnetization': starting_magnetization,
'has_electric_field': has_electric_field,
'has_dipole_correction': has_dipole_correction,
'lda_plus_u_calculation': 'dftU' in outputs,
'lda_plus_u_calculation': 'dftU' in outputs['dft'],
'format_name': xml_dictionary['general_info']['xml_format']['@NAME'],
'format_version': xml_dictionary['general_info']['xml_format']['@VERSION'],
# TODO: check that format version: a) matches the XSD schema version; b) is updated as well
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