quantum_package

mirror of https://github.com/LCPQ/quantum_package synced 2024-06-22 13:12:16 +02:00

History

Anthony Scemama 0fb0b9e2ec Put do_mono/diexcitations in generate_h_apply.py		2014-06-20 15:23:04 +02:00
..
ASSUMPTIONS.rst	CISD_SC2 ok, CISD_SC2_selected ok	2014-05-30 18:07:04 +02:00
cisd_sc2_selection.irp.f	add threshold_convergence_SC2	2014-06-06 16:22:54 +02:00
H_apply.irp.f	Acceleration for single ref methods	2014-06-06 16:19:14 +02:00
Makefile	CISD_SC2 ok, CISD_SC2_selected ok	2014-05-30 18:07:04 +02:00
NEEDED_MODULES	Moved all SC2 stuff to SC2 directory	2014-06-02 10:45:32 +02:00
README.rst	mv SC2.irp.f diagonalize_CI_SC2.irp.f	2014-06-02 19:06:04 +02:00

README.rst

========================
CISD_SC2_selected Module
========================

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

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

`cisd_sc2_selected <http://github.com/LCPQ/quantum_package/tree/master/src/CISD_SC2_selected/cisd_sc2_selection.irp.f#L1>`_
  Undocumented



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>`_
* `BiInts <http://github.com/LCPQ/quantum_package/tree/master/src/BiInts>`_
* `Bitmask <http://github.com/LCPQ/quantum_package/tree/master/src/Bitmask>`_
* `CISD <http://github.com/LCPQ/quantum_package/tree/master/src/CISD>`_
* `SC2 <http://github.com/LCPQ/quantum_package/tree/master/src/SC2>`_
* `CISD_selected <http://github.com/LCPQ/quantum_package/tree/master/src/CISD_selected>`_
* `Dets <http://github.com/LCPQ/quantum_package/tree/master/src/Dets>`_
* `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>`_
* `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>`_
* `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>`_