aiida_quantumespresso.parsers.neb
#
Module Contents#
Classes#
Parser implementation for the NebCalculation calculation job class. |
- class aiida_quantumespresso.parsers.neb.NebParser(node: aiida.orm.CalcJobNode)[source]#
Bases:
aiida_quantumespresso.parsers.base.BaseParser
Parser implementation for the NebCalculation calculation job class.
- parse(**kwargs)[source]#
Parse the retrieved files of a completed
NebCalculation
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.