BespokeFit documentation

openff-bespokefit

ForceBalanceInputFactory

class openff.bespokefit.optimizers.forcebalance.factories.ForceBalanceInputFactory

Bases: object

This is the main factory which will generate all of the required inputs for a ForceBalance optimization.

Methods

__init__()
generate(root_directory, schema, ...)

__init__()

classmethod generate(root_directory: Union[str, Path], schema: OptimizationStageSchema, initial_force_field: ForceField)

classmethod generate(root_directory: Union[str, Path], schema: OptimizationStageSchema, initial_force_field: ForceField)