BespokeFit documentation

openff-bespokefit

openff.bespokefit.executor.services.coordinator.stages.QCGenerationStage

model openff.bespokefit.executor.services.coordinator.stages.QCGenerationStage

Bases: _Stage

Fields

• ids (Optional[Dict[int, List[str]]])

• results (Optional[Dict[str, Union[qcelemental.models.results.AtomicResult, qcelemental.models.procedures.OptimizationResult, qcelemental.models.procedures.TorsionDriveResult]]])

• type (Literal['qc-generation'])

field type: Literal['qc-generation'] = 'qc-generation'

field ids: Optional[Dict[int, List[str]]] = None

field results: Optional[Dict[str, Union[qcelemental.models.results.AtomicResult, qcelemental.models.procedures.OptimizationResult, qcelemental.models.procedures.TorsionDriveResult]]] = None