CalculateModel
================

.. automodule:: QMzyme.CalculateModel



QM Treatment
---------------------

.. autoclass:: QMzyme.CalculateModel.QM_Method
   :show-inheritance:
   :members:
   :undoc-members:

xTB Treatment
---------------------

.. autoclass:: QMzyme.CalculateModel.XTB_Method
   :show-inheritance:
   :members:
   :undoc-members:

MM Treatment
-------------------

Under development.

Developer Classes
------------------

If you are interested in contributing to QMzyme by creating new calculation methods, you will need to interact with the classes.

.. autoclass:: QMzyme.CalculateModel.CalculationBase
   :members:

.. autoclass:: QMzyme.CalculateModel.MultiscaleCalculationBase
   :show-inheritance:
   :members:

.. autoclass:: QMzyme.CalculateModel.CalculateModel
   :members:

.. autoclass:: QMzyme.CalculateModel.CalculationFactory
   :members: