Calculation parsers¶
This section describes the different parsers classes for calculations.
Voronoi Parser¶
KKRcode Parser¶
Parser for the KKR Code. The parser should never fail, but it should catch all errors and warnings and show them to the user.
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class
aiida_kkr.parsers.kkr.
KkrParser
(calc)[source]¶ Parser class for parsing output of KKR code..
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parse
(debug=False, **kwargs)[source]¶ Parse output data folder, store results in database.
Parameters: retrieved – a dictionary of retrieved nodes, where the key is the link name Returns: a tuple with two values (bool, node_list)
, where:bool
: variable to tell if the parsing succeedednode_list
: list of new nodes to be stored in the db (as a list of tuples(link_name, node)
)
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KKRcode - calculation importer Parser¶
Parser for the KKR imprter, slight modification to KKr parser (dealing of missing output files). The parser should never fail, but it should catch all errors and warnings and show them to the user.
KKRimp Parser¶
Parser for the KKR-impurity Code. The parser should never fail, but it should catch all errors and warnings and show them to the user.
Voronoi Parser¶
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class
aiida_kkr.parsers.voro.
VoronoiParser
(calc)[source] Parser class for parsing output of voronoi code..
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__init__
(calc)[source] Initialize the instance of Voronoi_Parser
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parse
(debug=False, **kwargs)[source] Parse output data folder, store results in database.
Parameters: retrieved – a dictionary of retrieved nodes, where the key is the link name Returns: nothing if everything is fine or an exit code defined in the voronoi calculation class
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