converge#

libcasm.monte.sampling.converge( sampling_functions: StateSamplingFunctionMap, completion_check_params: CompletionCheckParams, )[source]#

Helper for setting completion_check_params.requested_precision

Example usage:

converge(sampling_functions, completion_check_params)
    .set_precision("formation_energy", abs=0.001)
    .set_precision("parametric_composition", abs=0.001, component_name=["a"])
    .set_precision("corr", abs=0.001, component_index=[0,1,2,3])

Allows setting absolute or relative precision to the specified level for the specified quantities. By default, all components are converged to the same level. If component_name or component_index are specified, then only the specified components are requested to converge to that level.

Parameters:

sampling_functions (_sampling.StateSamplingFunctionMap`) – State sampling function dictionary
completion_check_params (_sampling.CompletionCheckParams) – Completion check parameters to set requested_precision

Returns:

rpc – A RequestedPrecisionConstructor

Return type:

RequestedPrecisionConstructor