.. _nuclei:

.. program:: nuclei

.. default-role:: option

======
Nuclei
======

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




EZFIO parameters
----------------

.. option:: nucl_num

   Number of nuclei


.. option:: nucl_label

   Nuclear labels


.. option:: nucl_charge

   Nuclear charges


.. option:: nucl_coord

   Nuclear coordinates in the format (:, {x,y,z})


.. option:: disk_access_nuclear_repulsion

   Read/Write Nuclear Repulsion from/to disk [ Write | Read | None ]

   Default: None

.. option:: nuclear_repulsion

   Nuclear repulsion (Computed automaticaly or Read in the |EZFIO|)