LibintX
=======

Python bindings for LibintX library [#libintxrepo]_ provide GPU-accelerated density-fitted Coulomb
(`J`) matrix computations. The interface integrates with PySCF for basis and molecule
construction.

Capabilities
------------

* Density-fitted Coulomb (J) matrix computation
* Nuclear gradients
* GPU acceleration (CUDA)

How to use
----------

.. important::
   The Python bindings are developed and maintained by Terra Quantum AG and are
   independent of the official LibintX library. Issues relating to the LibintX library
   itself should be reported to the LibintX project [#libintxrepo]_

:doc:`usage/index`
  Basic usage of the LibintX Python bindings.

:doc:`api/index`
  API reference for the LibintX Python bindings.

.. toctree::
   :maxdepth: 2
   :caption: LibintX interface
   :hidden:

   usage/index
   api/index


.. [#libintxrepo] https://github.com/ValeevGroup/libintx