OpenFF Recharge documentation

openff-recharge

openff.recharge.esp.qcresults.InvalidPCMKeywordError

exception openff.recharge.esp.qcresults.InvalidPCMKeywordError(input_string: str)

Bases: RechargeException

An exception raised when the PCM settings found in the ‘pcm__input’ entry of an entries keywords cannot be safely parsed.