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mirror of https://github.com/LCPQ/quantum_package synced 2024-06-21 20:52:18 +02:00
quantum_package/src/Electrons
2014-04-07 16:56:29 +02:00
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tests Setup testing environment 2014-04-07 16:56:29 +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 Added README.rst in all directories 2014-04-03 16:23:27 +02:00
Makefile Simplified Makefiles 2014-04-03 11:28:54 +02:00
NEEDED_MODULES Make all_modules and all_clean compiles in parallel. Added NEEDED_MODULES 2014-04-03 11:19:41 +02:00
README.rst Auto insert HTTP links to other modules in the README.rst file. 2014-04-04 00:47:13 +02:00

================
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
.. ASSUMPTIONS.rst 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.

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