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libecpint : C++ ECP integral library
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About
=======

libecpint is an open-source library for the calculation of integrals over effective core potentials (ECPs) in quantum chemistry software. It was written predominantly by Robert A. Shaw (@robertshaw383), with some assistance from J. Grant Hill (@Dr_GHill). It is currently used in at least three major quantum chemistry packages: Psi4 (@PSI_code), Serenity (@QCSerenity), and entos (@EntosAI). 

.. toctree::
   :maxdepth: 2
   
   introduction
   installation
   usage
   api/library_root

   
Indices and tables
==================

* :ref:`genindex`
* :ref:`modindex`
* :ref:`search`
