=================
Energy models API
=================

Classes
=======

``B3LYP`` class
---------------

.. autoclass:: moldesign.models.B3LYP
    :members:
    :undoc-members:
    :show-inheritance:

``CASSCF`` class
----------------

.. autoclass:: moldesign.models.CASSCF
    :members:
    :undoc-members:
    :show-inheritance:

``DFT`` class
-------------

.. autoclass:: moldesign.models.DFT
    :members:
    :undoc-members:
    :show-inheritance:

``ForceField`` class
--------------------

.. autoclass:: moldesign.models.ForceField
    :members:
    :undoc-members:
    :show-inheritance:

``GAFF`` class
--------------

.. autoclass:: moldesign.models.GAFF
    :members:
    :undoc-members:
    :show-inheritance:

``HarmonicOscillator`` class
----------------------------

.. autoclass:: moldesign.models.HarmonicOscillator
    :members:
    :undoc-members:
    :show-inheritance:

``MP2`` class
-------------

.. autoclass:: moldesign.models.MP2
    :members:
    :undoc-members:
    :show-inheritance:

``OpenMMPotential`` class
-------------------------

.. autoclass:: moldesign.models.OpenMMPotential
    :members:
    :undoc-members:
    :show-inheritance:

``PySCFPotential`` class
------------------------

.. autoclass:: moldesign.models.PySCFPotential
    :members:
    :undoc-members:
    :show-inheritance:

``RHF`` class
-------------

.. autoclass:: moldesign.models.RHF
    :members:
    :undoc-members:
    :show-inheritance:

``Spring`` class
----------------

.. autoclass:: moldesign.models.Spring
    :members:
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