quantum_package

mirror of https://github.com/LCPQ/quantum_package synced 2024-12-23 12:56:14 +01:00

History

Anthony Scemama dd60cda0ee --amend		2016-09-22 12:15:20 +02:00
..
.gitignore	Modify gitignore	2015-06-25 16:52:08 +02:00
EZFIO.cfg	Some modif for the interface with qmcpack	2016-01-14 15:18:31 +01:00
NEEDED_CHILDREN_MODULES	Modify some file	2015-06-02 15:47:24 +02:00
README.rst	--amend	2016-09-22 12:15:20 +02:00
tree_dependency.png	Added target_pt2_qmc	2015-10-19 17:28:08 +02:00

README.rst

=============
Pseudo Module
=============

Needed Modules
==============

.. Do not edit this section It was auto-generated
.. by the `update_README.py` script.

.. image:: tree_dependency.png

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

Needed Modules
==============
.. Do not edit this section It was auto-generated
.. by the `update_README.py` script.


.. image:: tree_dependency.png

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

Documentation
=============
.. Do not edit this section It was auto-generated
.. by the `update_README.py` script.


`do_pseudo <http://github.com/LCPQ/quantum_package/tree/master/src/Pseudo/ezfio_interface.irp.f#L241>`_
  Using pseudo potential integral or not


`nucl_charge_remove <http://github.com/LCPQ/quantum_package/tree/master/src/Pseudo/ezfio_interface.irp.f#L45>`_
  Nuclear charges removed


`pseudo_dz_k <http://github.com/LCPQ/quantum_package/tree/master/src/Pseudo/ezfio_interface.irp.f#L202>`_
  test


`pseudo_dz_kl <http://github.com/LCPQ/quantum_package/tree/master/src/Pseudo/ezfio_interface.irp.f#L105>`_
  test


`pseudo_grid_rmax <http://github.com/LCPQ/quantum_package/tree/master/src/Pseudo/ezfio_interface.irp.f#L6>`_
  R_maxof the QMC grid


`pseudo_grid_size <http://github.com/LCPQ/quantum_package/tree/master/src/Pseudo/ezfio_interface.irp.f#L163>`_
  Nb of points of the QMC grid


`pseudo_klocmax <http://github.com/LCPQ/quantum_package/tree/master/src/Pseudo/ezfio_interface.irp.f#L125>`_
  test


`pseudo_kmax <http://github.com/LCPQ/quantum_package/tree/master/src/Pseudo/ezfio_interface.irp.f#L222>`_
  test


`pseudo_lmax <http://github.com/LCPQ/quantum_package/tree/master/src/Pseudo/ezfio_interface.irp.f#L144>`_
  test


`pseudo_n_k <http://github.com/LCPQ/quantum_package/tree/master/src/Pseudo/ezfio_interface.irp.f#L85>`_
  test


`pseudo_n_kl <http://github.com/LCPQ/quantum_package/tree/master/src/Pseudo/ezfio_interface.irp.f#L182>`_
  test


`pseudo_v_k <http://github.com/LCPQ/quantum_package/tree/master/src/Pseudo/ezfio_interface.irp.f#L25>`_
  test


`pseudo_v_kl <http://github.com/LCPQ/quantum_package/tree/master/src/Pseudo/ezfio_interface.irp.f#L65>`_
  test