ParaMol.Tasks subpackage

ParaMol Tasks subpackage.

This subpackage contains modules that automate the following tasks:

• Parametriztion (ParaMol.Tasks.parametrization.Parametrization).

• Adaptive Parametrization (ParaMol.Tasks.adaptive_parametrization.AdaptiveParametrization)

• Torsions Parametrization (ParaMol.Tasks.torsions_parametrization)

• Torsion Scan (ParaMol.Tasks.torsions_scan)

• RESP Fitting (ParaMol.Tasks.resp_fitting)

• Ab initio Properties (ParaMol.Tasks.ab_initio_properties)

• Objective Function Plot (ParaMol.Tasks.objective_function_plot)

• Tasks.task module
• Tasks.parametrization module
• Tasks.adaptive_parametrization module
• Tasks.torsions_scan module
• Tasks.torsions_parametrization module
• Tasks.resp_fitting module
• Tasks.ab_initio_properties module
• Tasks.objective_function_plot module