aiida_crystal17.parsers.mainout_parse module¶
parse the main output file and create the required output nodes
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aiida_crystal17.parsers.mainout_parse.
parse_mainout
(abs_path, parser_class, init_struct=None, init_settings=None)[source]¶ parse the main output file and create the required output nodes
Parameters: - abs_path – absolute path of stdout file
- parser_class – a string denoting the parser class
- init_struct – input structure
- init_settings – input structure settings
Return psuccess: a boolean that is False in case of failed calculations
Return output_nodes: containing “paramaters” and (optionally) “structure” and “settings”