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Thomas Applencourt 4ce217a354 n_det_max in in dets, and PT2_max and var_pt2_max are in Perturbation. Delete all the multiple occurance
2015-05-12 15:14:54 +02:00
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ASSUMPTIONS.rst CAS-SD and CAS-SD selected 2015-04-09 10:57:15 +02:00
cas_sd_selected.irp.f n_det_max in in dets, and PT2_max and var_pt2_max are in Perturbation. Delete all the multiple occurance 2015-05-12 15:14:54 +02:00
cas_sd.irp.f n_det_max in in dets, and PT2_max and var_pt2_max are in Perturbation. Delete all the multiple occurance 2015-05-12 15:14:54 +02:00
EZFIO.cfg n_det_max in in dets, and PT2_max and var_pt2_max are in Perturbation. Delete all the multiple occurance 2015-05-12 15:14:54 +02:00
H_apply.irp.f CAS-SD and CAS-SD selected 2015-04-09 10:57:15 +02:00
Makefile CAS-SD and CAS-SD selected 2015-04-09 10:57:15 +02:00
NEEDED_CHILDREN_MODULES Add NEED_CHILDREN_MODULE to replace NEEDED_MODULES 2015-04-30 18:56:04 +02:00
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 

======================
CAS_SD_selected Module
======================

Selected CAS + SD module.

1) Set the different MO classes using the ``qp_set_mo_class`` command
2) Run the selected CAS+SD program

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

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

`full_ci <http://github.com/LCPQ/quantum_package/tree/master/src/CAS_SD/cas_sd_selected.irp.f#L1>`_
  Undocumented



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