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quantum_package/src/SingleRefMethod
2015-06-04 12:15:54 +02:00
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.gitignore Mega cleaning. 2015-06-02 18:17:59 +02:00
generators.irp.f Corrected CAS-SD bug 2015-04-02 11:40:16 +02:00
NEEDED_CHILDREN_MODULES Add NEED_CHILDREN_MODULE to replace NEEDED_MODULES 2015-04-30 18:56:04 +02:00
README.rst Realy fix the readme... Maybe to mush 2015-06-04 12:15:54 +02:00
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======================
SingleDetMethod Module
======================

Include this module for single reference methods.
Using this module, the only generator determinant is the Hartree-Fock determinant.

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

.. Do not edit this section. It was auto-generated from the
.. by the `update_README.py` script.

`n_det_generators <http://github.com/LCPQ/quantum_package/tree/master/src/SingleRefMethod/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/SingleRefMethod/generators.irp.f#L13>`_
  For Single reference wave functions, the generator is the
  Hartree-Fock determinant


`psi_det_generators <http://github.com/LCPQ/quantum_package/tree/master/src/SingleRefMethod/generators.irp.f#L12>`_
  For Single reference wave functions, the generator is the
  Hartree-Fock determinant


`select_max <http://github.com/LCPQ/quantum_package/tree/master/src/SingleRefMethod/generators.irp.f#L41>`_
  Memo to skip useless selectors


`size_select_max <http://github.com/LCPQ/quantum_package/tree/master/src/SingleRefMethod/generators.irp.f#L49>`_
  Size of select_max

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

.. Do not edit this section. It was auto-generated from the
.. by the `update_README.py` script.

.. image:: tree_dependency.png

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