2018-10-19 11:32:58 +02:00
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Programming in the Quantum Package
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==================================
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2018-10-23 01:19:44 +02:00
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To program in the Quantum Package, 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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2018-11-07 10:04:36 +01:00
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.. interface AOs / MOs => resultsFile
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.. interface integrals => AO / MO
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.. interface integrals MO => FCIDUMP
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.. TODO : molden module in resultsFile
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2018-10-23 01:19:44 +02:00
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2018-10-19 11:32:58 +02:00
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.. include:: work.rst
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2018-10-23 01:19:44 +02:00
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.. _IRPF90: http://irpf90.ups-tlse.fr
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