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mirror of https://github.com/LCPQ/quantum_package synced 2024-07-05 10:55:59 +02:00
quantum_package/src/CIS
Thomas Applencourt c63cbab3ee Fix include
2015-06-03 15:32:43 +02:00
..
.gitignore Mega cleaning. 2015-06-02 18:17:59 +02:00
ASSUMPTIONS.rst Hartree-Fock works well 2014-06-25 14:58:58 +02:00
cis.irp.f Hartree-Fock works well 2014-06-25 14:58:58 +02:00
H_apply.irp.f Hartree-Fock works well 2014-06-25 14:58:58 +02:00
Makefile Lots of cleaning in scripts and Makefiles 2015-03-26 00:33:45 +01:00
NEEDED_CHILDREN_MODULES Add NEED_CHILDREN_MODULE to replace NEEDED_MODULES 2015-04-30 18:56:04 +02:00
README.rst Mega cleaning. 2015-06-02 18:17:59 +02:00
super_ci.irp.f save wavefunction general merged 2014-07-09 14:52:42 +02:00
tree_dependency.png Fix include 2015-06-03 15:32:43 +02:00

==========
CIS Module
==========

Assumptions
===========

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

* The molecular orbitals are assumed orthonormal


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

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

`cis <http://github.com/LCPQ/quantum_package/tree/master/src/CIS/super_ci.irp.f#L1>`_
  Undocumented

`super_ci <http://github.com/LCPQ/quantum_package/tree/master/src/CIS/super_ci.irp.f#L9>`_
  Undocumented



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

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

.. image:: tree_dependency.png

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