LCPQ/quantum_package
10
0
Fork 0
mirror of https://github.com/LCPQ/quantum_package synced 2024-11-08 07:03:57 +01:00
Code Issues Releases Wiki Activity
e82be2bcd9
quantum_package/src/Electrons
History
Thomas Applencourt acb6b7b16a Add NEED_CHILDREN_MODULE to replace NEEDED_MODULES
2015-04-30 18:56:04 +02:00
..
ASSUMPTIONS.rst Added README.rst in all directories 2014-04-03 16:23:27 +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
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 Add NEED_CHILDREN_MODULE to replace NEEDED_MODULES 2015-04-30 18:56:04 +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 file.

* ``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 file.

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

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

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

`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