Optimization (Geometry Opt)
===========================

A Python implementation of the `MolSSI QCSchema
<https://github.com/MolSSI/QCSchema>`_ "Optimization" or "Geometry Optimization" models.


OptimizationInput
-----------------

.. autopydantic_model:: qcelemental.models.v2.OptimizationInput
   :noindex:

.. autofunction:: qcelemental.models.v2.OptimizationInput.convert_v
   :noindex:


OptimizationResult
------------------

.. autopydantic_model:: qcelemental.models.v2.OptimizationResult
   :noindex:

.. autofunction:: qcelemental.models.v2.OptimizationResult.convert_v
   :noindex:


Sub-Models
----------

OptimizationSpecification
~~~~~~~~~~~~~~~~~~~~~~~~~

.. autopydantic_model:: qcelemental.models.v2.OptimizationSpecification
   :noindex:

.. autofunction:: qcelemental.models.v2.OptimizationSpecification.convert_v
   :noindex:

OptimizationProtocols
~~~~~~~~~~~~~~~~~~~~~

.. autopydantic_model:: qcelemental.models.v2.OptimizationProtocols
   :noindex:

.. autofunction:: qcelemental.models.v2.OptimizationProtocols.convert_v
   :noindex:

OptimizationProperties
~~~~~~~~~~~~~~~~~~~~~~

.. autopydantic_model:: qcelemental.models.v2.OptimizationProperties
   :noindex: