==========
Python API
==========

This section provides complete documentation for the QDK/Chemistry Python API.

QDK/Chemistry provides Python interfaces for quantum chemistry calculations with a unified API.
The Python interface offers a user-friendly way to set up, run, and analyze quantum chemistry calculations without requiring extensive knowledge of the underlying implementation details.

Data Classes
------------

The data classes provide fundamental structures for representing quantum chemistry concepts such as molecular structures, electronic states, and computational results.
These classes handle the storage, manipulation, and exchange of quantum chemistry data throughout the QDK/Chemistry ecosystem.

For detailed information, see :doc:`api_autogen/qdk_chemistry.data`.

.. toctree::
   :maxdepth: 2

   api_autogen/qdk_chemistry.data


Algorithms
----------

The algorithms module contains implementations of various quantum chemistry methods and computational techniques.
This includes electronic structure methods, post-Hartree-Fock correlation methods, and other advanced computational approaches for studying molecular systems and their properties.

For detailed information, see :doc:`api_autogen/qdk_chemistry.algorithms`.

.. toctree::
   :maxdepth: 2

   api_autogen/qdk_chemistry.algorithms

Plugins
-------

The plugins module offers extensions and integrations with other quantum chemistry software packages and computational tools.
These plugins allow QDK/Chemistry to leverage functionality from other established quantum chemistry codes and expand its capabilities.

For detailed information, see :doc:`api_autogen/qdk_chemistry.plugins`.

.. toctree::
   :maxdepth: 2

   api_autogen/qdk_chemistry.plugins

Utilities
---------

The utils module provides various utility functions and helper routines that support the core functionality of QDK/Chemistry.
These utilities facilitate common tasks such as data manipulation, file I/O, and other ancillary operations.

For detailed information, see :doc:`api_autogen/qdk_chemistry.utils`.

.. toctree::
   :maxdepth: 2

   api_autogen/qdk_chemistry.utils


Constants
---------

The constants module provides access to fundamental physical constants, conversion factors, and reference values frequently used in quantum chemistry calculations.
These constants ensure consistency and accuracy throughout all computational procedures.

For detailed information, see :doc:`api_autogen/qdk_chemistry.constants`.

.. toctree::
   :maxdepth: 2

   api_autogen/qdk_chemistry.constants
