quantum_package

mirror of https://github.com/LCPQ/quantum_package synced 2024-06-21 20:52:18 +02:00

History

Thomas Applencourt 81ca7f2545 Remove ASSUMPTIONS.rst. Put it direcly in README.rst		2015-06-04 11:17:01 +02:00
..
.gitignore	Mega cleaning.	2015-06-02 18:17:59 +02:00
electrons.ezfio_config	Added Utils, Electrons, Ezfio, Nuclei, include, AOs.	2014-04-01 18:38:51 +02:00
electrons.irp.f	rst format in output directory	2014-04-11 01:53:15 +02:00
NEEDED_CHILDREN_MODULES	Removed Output module	2015-05-11 19:41:56 +02:00
README.rst	Remove makefile.depend dependancy !	2015-05-27 11:02:13 +02:00

README.rst

================
Electrons Module
================

Describes the electrons. For the moment, only the number of alpha and beta electrons
are provided by this module.


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

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

* ``elec_num`` >= 0
* ``elec_alpha_num`` >= 0
* ``elec_beta_num`` >= 0
* ``elec_alpha_num`` >= ``elec_beta_num``


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_dependancy.png

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

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

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

`elec_alpha_num <http://github.com/LCPQ/quantum_package/tree/master/src/Electrons/electrons.irp.f#L1>`_
  Numbers of alpha ("up") , beta ("down") and total electrons

`elec_beta_num <http://github.com/LCPQ/quantum_package/tree/master/src/Electrons/electrons.irp.f#L2>`_
  Numbers of alpha ("up") , beta ("down") and total electrons

`elec_num <http://github.com/LCPQ/quantum_package/tree/master/src/Electrons/electrons.irp.f#L3>`_
  Numbers of alpha ("up") , beta ("down") and total electrons

`elec_num_tab <http://github.com/LCPQ/quantum_package/tree/master/src/Electrons/electrons.irp.f#L4>`_
  Numbers of alpha ("up") , beta ("down") and total electrons