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quantum_package/docs/source/programmers_guide/programming.rst

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Programming in the |qp|
=======================
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To program in the |qp|, it is required that you are familiar with
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the `IRPF90`_ code generator. A gitbook can be found
`here <http://scemama.gitbooks.io/irpf90>`_.
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.. interface AOs / MOs => resultsFile
.. interface integrals => AO / MO
.. interface integrals MO => FCIDUMP
.. TODO : molden module in resultsFile
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.. include:: /work.rst
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