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record-api.rst

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API

The complete set of object models and relations implemented by QCPortal. Every class shown here is its own model and the attributes shown are valid kwargs and values which can be fed into the construction.

.. autoclass:: qcportal.models.KeywordSet

.. autoclass:: qcportal.models.Molecule

.. autoclass:: qcportal.models.OptimizationRecord
   :members:

.. autoclass:: qcportal.models.QCSpecification

.. autoclass:: qcportal.models.GridOptimizationInput

.. autoclass:: qcportal.models.GridOptimizationRecord
   :members:

.. autoclass:: qcportal.models.OptimizationSpecification

.. autoclass:: qcportal.models.OptimizationProtocols

.. autoclass:: qcportal.models.ResultProtocols

.. autoclass:: qcportal.models.TorsionDriveInput

.. autoclass:: qcportal.models.TorsionDriveRecord

.. autoclass:: qcportal.models.WavefunctionProtocols