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Fixed typo in parsing of Environ
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Sudarshan committed Jul 15, 2021
1 parent 726b355 commit 64161bc
Showing 1 changed file with 1 addition and 1 deletion.
2 changes: 1 addition & 1 deletion aiida_quantumespresso/parsers/parse_raw/pw.py
Original file line number Diff line number Diff line change
Expand Up @@ -747,7 +747,7 @@ def parse_stdout(stdout, input_parameters, parser_options=None, parsed_xml=None)
try:
value_potential_shift = float(line.split()[-2])
unit_potential_shift = line.split()[-1]
parsed_data['environ_potential_shift'] = value
parsed_data['environ_potential_shift'] = value_potential_shift
parsed_data['environ_unit_potential_shift'] = unit_potential_shift
except Exception:
pass
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