quantum_package

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History

Anthony Scemama 01699dd0c1 i_H_j_phase_out missing in previous commit		2015-07-28 18:57:43 +02:00
..
.gitignore	i_H_j_phase_out missing in previous commit	2015-07-28 18:57:43 +02:00
EZFIO.cfg	Cleaned MRCC in MRCC_Utils	2015-07-13 18:00:38 +02:00
mrcc_cassd.irp.f	read_wf has to be true for mrcc	2015-07-13 18:26:34 +02:00
NEEDED_CHILDREN_MODULES	i_H_j_phase_out missing in previous commit	2015-07-28 18:57:43 +02:00
README.rst	i_H_j_phase_out missing in previous commit	2015-07-28 18:57:43 +02:00

README.rst

===========
MRCC Module
===========

MRCC as a coupled cluster on a CAS+SD wave function.

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

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

.. image:: tree_dependency.png

* `Perturbation <http://github.com/LCPQ/quantum_package/tree/master/src/Perturbation>`_
* `Selectors_full <http://github.com/LCPQ/quantum_package/tree/master/src/Selectors_full>`_
* `Generators_full <http://github.com/LCPQ/quantum_package/tree/master/src/Generators_full>`_
* `Psiref_CAS <http://github.com/LCPQ/quantum_package/tree/master/src/Psiref_CAS>`_
* `MRCC_Utils_new <http://github.com/LCPQ/quantum_package/tree/master/src/MRCC_Utils_new>`_

Documentation
=============

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

`mrcc <http://github.com/LCPQ/quantum_package/tree/master/src/MRCC_CASSD/mrcc_cassd.irp.f#L1>`_
  Undocumented


`print_cas_coefs <http://github.com/LCPQ/quantum_package/tree/master/src/MRCC_CASSD/mrcc_cassd.irp.f#L11>`_
  Undocumented