LCPQ/quantum_package
10
0
Fork 0
mirror of https://github.com/LCPQ/quantum_package synced 2024-06-20 20:22:22 +02:00
Code Issues Releases Wiki Activity
6ad651c46c
quantum_package/src/Nuclei
History
Anthony Scemama 585eb90a77 rst format in output directory
2014-04-11 01:53:15 +02:00
..
tests Added tests for Nuclei 2014-04-10 22:41:04 +02:00
ASSUMPTIONS.rst 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 rst format in output directory 2014-04-11 01:53:15 +02:00
nuclei.ezfio_config Added Utils, Electrons, Ezfio, Nuclei, include, AOs. 2014-04-01 18:38:51 +02:00
nuclei.irp.f rst format in output directory 2014-04-11 01:53:15 +02:00
README.rst rst format in output directory 2014-04-11 01:53:15 +02:00

README.rst 

=============
Nuclei Module
=============

This module contains data relative to the nuclei (coordinates, charge,
nuclear repulsion energy, etc).
The coordinates are expressed in atomic units.

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