quantum_package

mirror of https://github.com/LCPQ/quantum_package synced 2024-06-26 15:12:14 +02:00

History

Thomas Applencourt 1157baa8e3 Fix a dependancy when disosiate bielec_integral and mono_elec		2015-05-12 11:55:52 +02:00
..
ASSUMPTIONS.rst	CISD selection + MP2 clean	2014-05-27 17:30:44 +02:00
cisd_selection.irp.f	Merged eginer-master	2015-03-19 21:14:52 +01:00
cisd.ezfio_config	Merged eginer-master	2015-03-19 21:14:52 +01:00
H_apply.irp.f	Acceleration for single ref methods	2014-06-06 16:19:14 +02:00
Makefile	Lots of cleaning in scripts and Makefiles	2015-03-26 00:33:45 +01:00
NEEDED_CHILDREN_MODULES	Add NEED_CHILDREN_MODULE to replace NEEDED_MODULES	2015-04-30 18:56:04 +02:00
options.irp.f	Merged eginer-master	2015-03-19 21:14:52 +01:00
README.rst	Change image name, add image in README.rst, and add Graphviz in dependancy	2015-05-12 10:39:49 +02:00
tree_dependancy.png	Fix a dependancy when disosiate bielec_integral and mono_elec	2015-05-12 11:55:52 +02:00

README.rst

====================
CISD_selected Module
====================

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

.. Do not edit this section. It was auto-generated from the
.. NEEDED_MODULES file.

`h_apply_cisd_selection <http://github.com/LCPQ/quantum_package/tree/master/src/CISD_selected/H_apply.irp.f#L13>`_
  Undocumented

`cisd <http://github.com/LCPQ/quantum_package/tree/master/src/CISD_selected/cisd_selection.irp.f#L1>`_
  Undocumented

`n_det_max_cisd <http://github.com/LCPQ/quantum_package/tree/master/src/CISD_selected/options.irp.f#L1>`_
  Get n_det_max_cisd from EZFIO file

`pt2_max <http://github.com/LCPQ/quantum_package/tree/master/src/CISD_selected/options.irp.f#L18>`_
  Get pt2_max from EZFIO file



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

.. Do not edit this section. It was auto-generated from the
.. NEEDED_MODULES file.

.. image:: tree_dependancy.png

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