aiida_quantumespresso.parsers.pw2gw

Parser implementation for the Pw2gwCalculation calculation job class.

Module Contents

Classes

Pw2gwParser

Parser implementation for the Pw2gwCalculation calculation job class.

class aiida_quantumespresso.parsers.pw2gw.Pw2gwParser(node: aiida.orm.CalcJobNode)

Bases: aiida_quantumespresso.parsers.base.BaseParser

Parser implementation for the Pw2gwCalculation calculation job class.

parse(**kwargs)

Parse the retrieved files of a completed Pw2gwCalculation into output nodes.

Two nodes that are expected are the default ‘retrieved’ FolderData node which will store the retrieved files permanently in the repository. The second required node is a filepath under the key retrieved_temporary_files which should contain the temporary retrieved files.

parse_eps_files()

Parse the eps*.dat files produced by pw2gw.x.