openff.bespokefit.exceptions.QCRecordMissMatchError

exception openff.bespokefit.exceptions.QCRecordMissMatchError(message: str)[source]

Bases: BespokeFitException

Raised when a QC record does not contain the expected information, such as gradient or hessian values.

error_type = 'qc_record_miss_match_error'
header = 'QC Record Miss Match Error'