rdmc.external.logparser.orca

class rdmc.external.logparser.orca.ORCALog(path: str, job_type: list | None = None, ts: bool | None = None)

Bases: CclibLog

A class helps to parse the Gaussian log files and provides information helpful to analyze the calculation.

# Todo: Test this class. most implementation hasn’t been tested yet.

property multiplicity

Get the multiplicity of the molecule.

# For unknown reason sometimes multiplicity is not parsed correctly by cclib

opt_criteria = ['TolE', 'TolRMSG', 'TolMaxG', 'TolRMSD', 'TolMaxD']

time_regex = ''