ForceBalanceInputFactory
- class openff.bespokefit.optimizers.forcebalance.factories.ForceBalanceInputFactory[source]
Bases:
object
This is the main factory which will generate all of the required inputs for a ForceBalance optimization.
Methods
- classmethod generate(root_directory: Union[str, Path], schema: OptimizationStageSchema, initial_force_field: ForceField)[source]
- classmethod generate(root_directory: Union[str, Path], schema: OptimizationStageSchema, initial_force_field: ForceField)[source]