API reference
=====================

This API reference documents the GauXC Python bindings: enumerations,
core classes and the primary computational routines for exchange–correlation
(XC) and exact-exchange (K) computations.

.. toctree::
   :maxdepth: 2
   :caption: Contents:

   integrator
   molgrid
   basis
   shell
   molecule
   atom
   enums
   conventions