aiida_cp2k.parsers package

Module contents

AiiDA-CP2K output parser.

class aiida_cp2k.parsers.Cp2kAdvancedParser(node)

Bases: aiida_cp2k.parsers.Cp2kBaseParser

Advanced AiiDA parser class for the output of CP2K.

__abstractmethods__ = frozenset({})

__module__ = 'aiida_cp2k.parsers'

_abc_cache = <_weakrefset.WeakSet object>

_abc_negative_cache = <_weakrefset.WeakSet object>

_abc_negative_cache_version = 110

_abc_registry = <_weakrefset.WeakSet object>

_parse_stdout()

Advanced CP2K output file parser.

class aiida_cp2k.parsers.Cp2kBaseParser(node)

Bases: aiida.parsers.parser.Parser

Basic AiiDA parser for the output of CP2K.

__abstractmethods__ = frozenset({})

__module__ = 'aiida_cp2k.parsers'

_abc_cache = <_weakrefset.WeakSet object>

_abc_negative_cache = <_weakrefset.WeakSet object>

_abc_negative_cache_version = 110

_abc_registry = <_weakrefset.WeakSet object>

_parse_stdout()

Basic CP2K output file parser.

_parse_trajectory()

CP2K trajectory parser.

parse(**kwargs)

Receives in input a dictionary of retrieved nodes. Does all the logic here.