openff.bespokefit.schema.targets.VibrationTargetSchema
- model openff.bespokefit.schema.targets.VibrationTargetSchema[source]
Bases:
BaseTargetSchema
A model which stores information about a vibration fitting target.
- field reference_data: Optional[Union[openff.bespokefit.schema.targets.LocalQCData[AtomicResult], openff.bespokefit.schema.targets.BespokeQCData[HessianTaskSpec], openff.qcsubmit.results.results.BasicResultCollection]] = None
The reference QC data (either existing or to be generated on the fly) to fit against.
- field calculation_specification: Optional[openff.bespokefit.schema.tasks.HessianTaskSpec] = None
The specification for the reference hessian calculation, also acts as a provenance source.