2014-05-27 17:30:44 +02:00
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=====================
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Selectors_full Module
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=====================
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2015-07-28 16:45:45 +02:00
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Needed Modules
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==============
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.. Do not edit this section It was auto-generated
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.. by the `update_README.py` script.
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.. image:: tree_dependency.png
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* `Determinants <http://github.com/LCPQ/quantum_package/tree/master/src/Determinants>`_
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* `Hartree_Fock <http://github.com/LCPQ/quantum_package/tree/master/src/Hartree_Fock>`_
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2015-07-28 17:02:00 +02:00
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Needed Modules
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==============
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.. Do not edit this section It was auto-generated
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.. by the `update_README.py` script.
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.. image:: tree_dependency.png
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* `Determinants <http://github.com/LCPQ/quantum_package/tree/master/src/Determinants>`_
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2015-07-28 17:31:54 +02:00
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* `Hartree_Fock <http://github.com/LCPQ/quantum_package/tree/master/plugins/Hartree_Fock>`_
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2019-02-05 21:59:26 +01:00
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* `Selectors_Utils <http://github.com/LCPQ/quantum_package/tree/master/plugins/Selectors_Utils>`_
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2015-07-28 17:02:00 +02:00
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Documentation
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=============
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.. Do not edit this section It was auto-generated
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.. by the `update_README.py` script.
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2019-02-05 21:59:26 +01:00
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`n_det_selectors <http://github.com/LCPQ/quantum_package/tree/master/plugins/Selectors_full/selectors.irp.f#L3>`_
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2015-06-04 12:15:54 +02:00
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For Single reference wave functions, the number of selectors is 1 : the
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Hartree-Fock determinant
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2019-02-05 21:59:26 +01:00
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`psi_selectors <http://github.com/LCPQ/quantum_package/tree/master/plugins/Selectors_full/selectors.irp.f#L27>`_
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2014-06-25 14:58:58 +02:00
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Determinants on which we apply <i|H|psi> for perturbation.
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2015-06-04 12:15:54 +02:00
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2019-02-05 21:59:26 +01:00
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`psi_selectors_coef <http://github.com/LCPQ/quantum_package/tree/master/plugins/Selectors_full/selectors.irp.f#L28>`_
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2014-06-25 14:58:58 +02:00
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Determinants on which we apply <i|H|psi> for perturbation.
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