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https://github.com/LCPQ/quantum_package
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33 lines
940 B
ReStructuredText
33 lines
940 B
ReStructuredText
======================
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CAS_SD_selected Module
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======================
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Selected CAS + SD module.
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1) Set the different MO classes using the ``qp_set_mo_class`` command
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2) Run the selected CAS+SD program
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Documentation
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=============
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.. Do not edit this section. It was auto-generated from the
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.. NEEDED_MODULES_CHILDREN file by the `update_README.py` script.
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`full_ci <http://github.com/LCPQ/quantum_package/tree/master/src/CAS_SD/cas_sd_selected.irp.f#L1>`_
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Undocumented
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Needed Modules
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==============
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.. Do not edit this section. It was auto-generated from the
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.. NEEDED_MODULES_CHILDREN file by the `update_README.py` script.
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.. image:: tree_dependancy.png
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* `Perturbation <http://github.com/LCPQ/quantum_package/tree/master/src/Perturbation>`_
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* `Selectors_full <http://github.com/LCPQ/quantum_package/tree/master/src/Selectors_full>`_
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* `Generators_CAS <http://github.com/LCPQ/quantum_package/tree/master/src/Generators_CAS>`_
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