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Anthony Scemama e50e967018 Added Davidson in MRCC
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ASSUMPTIONS.rst Added Generators_full module 2014-05-29 01:46:50 +02:00
generators.irp.f Add EZFIO.cfg in determinants 2015-04-20 15:20:38 +02:00
Makefile Lots of cleaning in scripts and Makefiles 2015-03-26 00:33:45 +01:00
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README.rst Change image name, add image in README.rst, and add Graphviz in dependancy 2015-05-12 10:39:49 +02:00
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README.rst 

======================
Generators_full Module
======================

All the determinants of the wave function are generators. In this way, the Full CI
space is explored.

Documentation
=============

.. Do not edit this section. It was auto-generated from the
.. NEEDED_MODULES file.

`degree_max_generators <http://github.com/LCPQ/quantum_package/tree/master/src/Generators_full/generators.irp.f#L43>`_
  Max degree of excitation (respect to HF) of the generators

`n_det_generators <http://github.com/LCPQ/quantum_package/tree/master/src/Generators_full/generators.irp.f#L3>`_
  For Single reference wave functions, the number of generators is 1 : the
  Hartree-Fock determinant

`psi_coef_generators <http://github.com/LCPQ/quantum_package/tree/master/src/Generators_full/generators.irp.f#L26>`_
  For Single reference wave functions, the generator is the
  Hartree-Fock determinant

`psi_det_generators <http://github.com/LCPQ/quantum_package/tree/master/src/Generators_full/generators.irp.f#L25>`_
  For Single reference wave functions, the generator is the
  Hartree-Fock determinant

`select_max <http://github.com/LCPQ/quantum_package/tree/master/src/Generators_full/generators.irp.f#L66>`_
  Memo to skip useless selectors

`size_select_max <http://github.com/LCPQ/quantum_package/tree/master/src/Generators_full/generators.irp.f#L58>`_
  Size of the select_max array



Needed Modules
==============

.. Do not edit this section. It was auto-generated from the
.. NEEDED_MODULES file.

.. image:: tree_dependancy.png

* `Determinants <http://github.com/LCPQ/quantum_package/tree/master/src/Determinants>`_
* `Hartree_Fock <http://github.com/LCPQ/quantum_package/tree/master/src/Hartree_Fock>`_