quantum_package

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

History

Anthony Scemama 8671e53615 Merge branch 'master' of https://github.com/eginer/quantum_package into eginer-master Conflicts: plugins/CISD/README.rst plugins/CISD_SC2_selected/README.rst plugins/CISD_selected/README.rst plugins/DDCI_selected/README.rst plugins/MRCC_CASSD/.gitignore src/Determinants/davidson.irp.f src/Determinants/slater_rules.irp.f src/Ezfio_files/README.rst		2015-07-28 18:36:50 +02:00
..
.gitignore	Merge branch 'master' of https://github.com/eginer/quantum_package into eginer-master	2015-07-28 18:36:50 +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	Cleaned MRCC in MRCC_Utils	2015-07-13 18:00:38 +02:00
README.rst	MRCC is ok with selected excitation operators	2015-07-20 14:19:11 +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 <http://github.com/LCPQ/quantum_package/tree/master/src/MRCC_Utils>`_

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