Utils.settings module

Description

This module defines the ParaMol.Utils.settings.Settings class used to define ParaMol global settings.

class ParaMol.Utils.settings.Settings

Bases: object

ParaMol global settings.

Variables

  • optimizer (dict) – Dictionary that contains the optimizer settings.

  • parameter_space (dict) – Dictionary that contains the parameter space settings.

  • objective_function (dict) – Dictionary that contains the objective function settings.

  • qm_engine (dict) – Dictionary that contains the QM engine settings.

  • restart (dict) – Dictionary that contains the restart settings.