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mirror of https://github.com/LCPQ/quantum_package synced 2024-06-29 08:24:51 +02:00
quantum_package/plugins/CISD_SC2_selected
2015-11-08 21:02:55 +01:00
..
.gitignore Epic merge for the doc... 2015-07-16 15:44:51 +02:00
cisd_sc2_selection.irp.f Move into plugins 2015-06-17 18:23:56 +02:00
EZFIO.cfg Update the EZFIO.cfg with the new keyword 2015-06-18 15:04:44 +02:00
H_apply.irp.f Move into plugins 2015-06-17 18:23:56 +02:00
NEEDED_CHILDREN_MODULES Move into plugins 2015-06-17 18:23:56 +02:00
README.rst Update readme 2015-11-08 21:02:55 +01:00
tree_dependency.png Going back to png 2015-07-16 14:25:20 +02:00

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

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

.. Do not edit this section. It was auto-generated from the
.. by the `update_README.py` script.

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


`h_apply_pt2 <http://github.com/LCPQ/quantum_package/tree/master/src/CISD_SC2_selected/H_apply.irp.f_shell_17#L1257>`_
  Calls H_apply on the HF determinant and selects all connected single and double
  excitations (of the same symmetry). Auto-generated by the ``generate_h_apply`` script.


`h_apply_pt2_diexc <http://github.com/LCPQ/quantum_package/tree/master/src/CISD_SC2_selected/H_apply.irp.f_shell_17#L769>`_
  Generate all double excitations of key_in using the bit masks of holes and
  particles.
  Assume N_int is already provided.


`h_apply_pt2_en_sc2 <http://github.com/LCPQ/quantum_package/tree/master/src/CISD_SC2_selected/H_apply.irp.f_shell_17#L1952>`_
  Calls H_apply on the HF determinant and selects all connected single and double
  excitations (of the same symmetry). Auto-generated by the ``generate_h_apply`` script.


`h_apply_pt2_en_sc2_diexc <http://github.com/LCPQ/quantum_package/tree/master/src/CISD_SC2_selected/H_apply.irp.f_shell_17#L1464>`_
  Generate all double excitations of key_in using the bit masks of holes and
  particles.
  Assume N_int is already provided.


`h_apply_pt2_en_sc2_monoexc <http://github.com/LCPQ/quantum_package/tree/master/src/CISD_SC2_selected/H_apply.irp.f_shell_17#L1770>`_
  Generate all single excitations of key_in using the bit masks of holes and
  particles.
  Assume N_int is already provided.


`h_apply_pt2_monoexc <http://github.com/LCPQ/quantum_package/tree/master/src/CISD_SC2_selected/H_apply.irp.f_shell_17#L1075>`_
  Generate all single excitations of key_in using the bit masks of holes and
  particles.
  Assume N_int is already provided.


`h_apply_sc2_selected <http://github.com/LCPQ/quantum_package/tree/master/src/CISD_SC2_selected/H_apply.irp.f_shell_17#L523>`_
  Calls H_apply on the HF determinant and selects all connected single and double
  excitations (of the same symmetry). Auto-generated by the ``generate_h_apply`` script.


`h_apply_sc2_selected_diexc <http://github.com/LCPQ/quantum_package/tree/master/src/CISD_SC2_selected/H_apply.irp.f_shell_17#L1>`_
  Generate all double excitations of key_in using the bit masks of holes and
  particles.
  Assume N_int is already provided.


`h_apply_sc2_selected_monoexc <http://github.com/LCPQ/quantum_package/tree/master/src/CISD_SC2_selected/H_apply.irp.f_shell_17#L327>`_
  Generate all single excitations of key_in using the bit masks of holes and
  particles.
  Assume N_int is already provided.

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

.. Do not edit this section. It was auto-generated from the
.. by the `update_README.py` script.

.. image:: tree_dependency.png

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

Needed Modules
==============
.. Do not edit this section It was auto-generated
.. by the `update_README.py` script.


.. image:: tree_dependency.png

* `CISD_selected <http://github.com/LCPQ/quantum_package/tree/master/plugins/CISD_selected>`_

Documentation
=============
.. Do not edit this section It was auto-generated
.. by the `update_README.py` script.


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


`h_apply_cisd <http://github.com/LCPQ/quantum_package/tree/master/plugins/CISD_SC2_selected/H_apply.irp.f_shell_8#L537>`_
  Calls H_apply on the HF determinant and selects all connected single and double
  excitations (of the same symmetry). Auto-generated by the ``generate_h_apply`` script.


`h_apply_cisd_diexc <http://github.com/LCPQ/quantum_package/tree/master/plugins/CISD_SC2_selected/H_apply.irp.f_shell_8#L3>`_
  Undocumented


`h_apply_cisd_diexcorg <http://github.com/LCPQ/quantum_package/tree/master/plugins/CISD_SC2_selected/H_apply.irp.f_shell_8#L119>`_
  Generate all double excitations of key_in using the bit masks of holes and
  particles.
  Assume N_int is already provided.


`h_apply_cisd_diexcp <http://github.com/LCPQ/quantum_package/tree/master/plugins/CISD_SC2_selected/H_apply.irp.f_shell_8#L96>`_
  Undocumented


`h_apply_cisd_monoexc <http://github.com/LCPQ/quantum_package/tree/master/plugins/CISD_SC2_selected/H_apply.irp.f_shell_8#L387>`_
  Generate all single excitations of key_in using the bit masks of holes and
  particles.
  Assume N_int is already provided.


`h_apply_pt2 <http://github.com/LCPQ/quantum_package/tree/master/plugins/CISD_SC2_selected/H_apply.irp.f_shell_17#L1562>`_
  Calls H_apply on the HF determinant and selects all connected single and double
  excitations (of the same symmetry). Auto-generated by the ``generate_h_apply`` script.


`h_apply_pt2_diexc <http://github.com/LCPQ/quantum_package/tree/master/plugins/CISD_SC2_selected/H_apply.irp.f_shell_17#L925>`_
  Undocumented


`h_apply_pt2_diexcorg <http://github.com/LCPQ/quantum_package/tree/master/plugins/CISD_SC2_selected/H_apply.irp.f_shell_17#L1063>`_
  Generate all double excitations of key_in using the bit masks of holes and
  particles.
  Assume N_int is already provided.


`h_apply_pt2_diexcp <http://github.com/LCPQ/quantum_package/tree/master/plugins/CISD_SC2_selected/H_apply.irp.f_shell_17#L1029>`_
  Undocumented


`h_apply_pt2_en_sc2 <http://github.com/LCPQ/quantum_package/tree/master/plugins/CISD_SC2_selected/H_apply.irp.f_shell_17#L2409>`_
  Calls H_apply on the HF determinant and selects all connected single and double
  excitations (of the same symmetry). Auto-generated by the ``generate_h_apply`` script.


`h_apply_pt2_en_sc2_diexc <http://github.com/LCPQ/quantum_package/tree/master/plugins/CISD_SC2_selected/H_apply.irp.f_shell_17#L1772>`_
  Undocumented


`h_apply_pt2_en_sc2_diexcorg <http://github.com/LCPQ/quantum_package/tree/master/plugins/CISD_SC2_selected/H_apply.irp.f_shell_17#L1910>`_
  Generate all double excitations of key_in using the bit masks of holes and
  particles.
  Assume N_int is already provided.


`h_apply_pt2_en_sc2_diexcp <http://github.com/LCPQ/quantum_package/tree/master/plugins/CISD_SC2_selected/H_apply.irp.f_shell_17#L1876>`_
  Undocumented


`h_apply_pt2_en_sc2_monoexc <http://github.com/LCPQ/quantum_package/tree/master/plugins/CISD_SC2_selected/H_apply.irp.f_shell_17#L2221>`_
  Generate all single excitations of key_in using the bit masks of holes and
  particles.
  Assume N_int is already provided.


`h_apply_pt2_monoexc <http://github.com/LCPQ/quantum_package/tree/master/plugins/CISD_SC2_selected/H_apply.irp.f_shell_17#L1374>`_
  Generate all single excitations of key_in using the bit masks of holes and
  particles.
  Assume N_int is already provided.


`h_apply_sc2_selected <http://github.com/LCPQ/quantum_package/tree/master/plugins/CISD_SC2_selected/H_apply.irp.f_shell_17#L676>`_
  Calls H_apply on the HF determinant and selects all connected single and double
  excitations (of the same symmetry). Auto-generated by the ``generate_h_apply`` script.


`h_apply_sc2_selected_diexc <http://github.com/LCPQ/quantum_package/tree/master/plugins/CISD_SC2_selected/H_apply.irp.f_shell_17#L3>`_
  Undocumented


`h_apply_sc2_selected_diexcorg <http://github.com/LCPQ/quantum_package/tree/master/plugins/CISD_SC2_selected/H_apply.irp.f_shell_17#L143>`_
  Generate all double excitations of key_in using the bit masks of holes and
  particles.
  Assume N_int is already provided.


`h_apply_sc2_selected_diexcp <http://github.com/LCPQ/quantum_package/tree/master/plugins/CISD_SC2_selected/H_apply.irp.f_shell_17#L108>`_
  Undocumented


`h_apply_sc2_selected_monoexc <http://github.com/LCPQ/quantum_package/tree/master/plugins/CISD_SC2_selected/H_apply.irp.f_shell_17#L474>`_
  Generate all single excitations of key_in using the bit masks of holes and
  particles.
  Assume N_int is already provided.