aiida_dlpoly.parsers.base

Defines the base calculation parser for the DL_POLY AiiDA plugin.

Classes

DLPOLYParser(node)

Main DL_POLY CalcJob parser.
class aiida_dlpoly.parsers.base.DLPOLYParser(node: CalcJobNode)[source]

Bases: Parser

Main DL_POLY CalcJob parser.

parse(**kwargs) → ExitCode[source]

Parse the results of a DL_POLY base CalcJob.

parse_statis(path: str) → None[source]

Parse the STATIS file into an ArrayData node.