atomistics.workflows.evcurve.debye.get_debye_model

atomistics.workflows.evcurve.debye.get_debye_model#

atomistics.workflows.evcurve.debye.get_debye_model(fit_dict: dict[str, float], masses: list[float], num_steps: int = 50) DebyeModel[source]#

Create a DebyeModel object with the given parameters.

Parameters:
  • fit_dict (Dict[str, float]) – A dictionary containing the fit parameters.

  • masses (List[float]) – A list of masses for the atoms in the system.

  • num_steps (int, optional) – The number of steps to use in the Debye model. Defaults to 50.

Returns:

A DebyeModel object initialized with the given parameters.

Return type:

DebyeModel