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quantum_package/src/Nuclei
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Anthony Scemama ff37982d15 A lot of cleaning
2018-10-19 17:08:38 +02:00
..
atomic_radii.irp.f Modifs of fobo-scf 2016-07-16 16:09:50 +02:00
EZFIO.cfg Add Read / Write for Nuclear Repulsion (usefull for PBC) 2017-05-08 16:27:29 +00:00
inertia.irp.f pin old core library 2017-12-20 18:02:55 +01:00
NEED A lot of cleaning 2018-10-19 17:08:38 +02:00
nuclei.irp.f Fixed MPI 2018-09-09 12:20:33 +02:00
README.rst A lot of cleaning 2018-10-19 17:08:38 +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.