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quantum_package/src/CISD_selected
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Thomas Applencourt 3b59fca0c7 Add EZFIO.cfg in determinants
2015-04-20 15:20:38 +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_MODULES Add EZFIO.cfg in determinants 2015-04-20 15:20:38 +02:00
options.irp.f Merged eginer-master 2015-03-19 21:14:52 +01:00
README.rst Add EZFIO.cfg in determinants 2015-04-20 15:20:38 +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.

* `AOs <http://github.com/LCPQ/quantum_package/tree/master/src/AOs>`_
* `Bielec_integrals <http://github.com/LCPQ/quantum_package/tree/master/src/Bielec_integrals>`_
* `Bitmask <http://github.com/LCPQ/quantum_package/tree/master/src/Bitmask>`_
* `CISD <http://github.com/LCPQ/quantum_package/tree/master/src/CISD>`_
* `Determinants <http://github.com/LCPQ/quantum_package/tree/master/src/Determinants>`_
* `Electrons <http://github.com/LCPQ/quantum_package/tree/master/src/Electrons>`_
* `Ezfio_files <http://github.com/LCPQ/quantum_package/tree/master/src/Ezfio_files>`_
* `Hartree_Fock <http://github.com/LCPQ/quantum_package/tree/master/src/Hartree_Fock>`_
* `MOGuess <http://github.com/LCPQ/quantum_package/tree/master/src/MOGuess>`_
* `MonoInts <http://github.com/LCPQ/quantum_package/tree/master/src/MonoInts>`_
* `MOs <http://github.com/LCPQ/quantum_package/tree/master/src/MOs>`_
* `Nuclei <http://github.com/LCPQ/quantum_package/tree/master/src/Nuclei>`_
* `Output <http://github.com/LCPQ/quantum_package/tree/master/src/Output>`_
* `Perturbation <http://github.com/LCPQ/quantum_package/tree/master/src/Perturbation>`_
* `Properties <http://github.com/LCPQ/quantum_package/tree/master/src/Properties>`_
* `Selectors_full <http://github.com/LCPQ/quantum_package/tree/master/src/Selectors_full>`_
* `SingleRefMethod <http://github.com/LCPQ/quantum_package/tree/master/src/SingleRefMethod>`_
* `Utils <http://github.com/LCPQ/quantum_package/tree/master/src/Utils>`_