10
0
mirror of https://github.com/LCPQ/quantum_package synced 2024-11-03 20:54:00 +01:00
quantum_package/plugins/MRCC_CASSD/README.rst

61 lines
2.0 KiB
ReStructuredText
Raw Normal View History

2015-04-10 19:32:35 +02:00
===========
MRCC Module
===========
2015-04-02 10:13:33 +02:00
2015-07-13 18:00:38 +02:00
MRCC as a coupled cluster on a CAS+SD wave function.
2015-04-10 19:32:35 +02:00
Needed Modules
==============
2015-04-01 13:23:02 +02:00
2015-04-13 10:44:49 +02:00
.. Do not edit this section. It was auto-generated from the
2015-06-04 12:09:28 +02:00
.. by the `update_README.py` script.
2015-04-13 10:44:49 +02:00
2015-06-02 18:17:59 +02:00
.. image:: tree_dependency.png
2015-04-13 10:44:49 +02:00
* `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>`_
2015-07-13 18:05:19 +02:00
* `Psiref_CAS <http://github.com/LCPQ/quantum_package/tree/master/src/Psiref_CAS>`_
2015-09-08 15:29:05 +02:00
* `MRCC_Utils <http://github.com/LCPQ/quantum_package/tree/master/src/MRCC_Utils>`_
2015-04-13 10:44:49 +02:00
2015-04-10 19:32:35 +02:00
Documentation
=============
2015-04-13 10:44:49 +02:00
.. Do not edit this section. It was auto-generated from the
2015-06-04 12:09:28 +02:00
.. by the `update_README.py` script.
2015-07-14 00:19:45 +02:00
`mrcc <http://github.com/LCPQ/quantum_package/tree/master/src/MRCC_CASSD/mrcc_cassd.irp.f#L1>`_
2015-06-04 12:09:28 +02:00
Undocumented
2015-04-13 10:44:49 +02:00
2015-07-14 00:19:45 +02:00
`print_cas_coefs <http://github.com/LCPQ/quantum_package/tree/master/src/MRCC_CASSD/mrcc_cassd.irp.f#L11>`_
2015-06-04 12:09:28 +02:00
Undocumented
2015-04-13 10:44:49 +02:00
2015-09-11 15:30:44 +02:00
Needed Modules
==============
.. Do not edit this section It was auto-generated
.. by the `update_README.py` script.
.. image:: tree_dependency.png
* `Perturbation <http://github.com/LCPQ/quantum_package/tree/master/plugins/Perturbation>`_
* `Selectors_full <http://github.com/LCPQ/quantum_package/tree/master/plugins/Selectors_full>`_
* `Generators_full <http://github.com/LCPQ/quantum_package/tree/master/plugins/Generators_full>`_
* `Psiref_CAS <http://github.com/LCPQ/quantum_package/tree/master/plugins/Psiref_CAS>`_
* `MRCC_Utils <http://github.com/LCPQ/quantum_package/tree/master/plugins/MRCC_Utils>`_
Documentation
=============
.. Do not edit this section It was auto-generated
.. by the `update_README.py` script.
`mrcc <http://github.com/LCPQ/quantum_package/tree/master/plugins/MRCC_CASSD/mrcc_cassd.irp.f#L1>`_
Undocumented
`print_cas_coefs <http://github.com/LCPQ/quantum_package/tree/master/plugins/MRCC_CASSD/mrcc_cassd.irp.f#L11>`_
Undocumented