Atomic (Single-Point)
=====================

A Python implementation of the `MolSSI QCSchema
<https://github.com/MolSSI/QCSchema>`_ "Atomic" or "Single-Point" models.


AtomicInput
-----------

.. autopydantic_model:: qcelemental.models.v2.AtomicInput
   :noindex:

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


AtomicResult
------------

.. autopydantic_model:: qcelemental.models.v2.AtomicResult
   :noindex:

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


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

AtomicSpecification
~~~~~~~~~~~~~~~~~~~

.. autopydantic_model:: qcelemental.models.v2.AtomicSpecification
   :noindex:

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

AtomicProtocols
~~~~~~~~~~~~~~~

.. autopydantic_model:: qcelemental.models.v2.AtomicProtocols
   :noindex:

AtomicProperties
~~~~~~~~~~~~~~~~

.. autopydantic_model:: qcelemental.models.v2.AtomicProperties
   :noindex:

WavefunctionProperties
~~~~~~~~~~~~~~~~~~~~~~

.. autopydantic_model:: qcelemental.models.v2.WavefunctionProperties
   :noindex:

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