quantum_package/plugins/loc_cele
Emmanuel Giner b447da300e Modifs Manus 2017-10-27 12:20:00 +02:00
..
NEEDED_CHILDREN_MODULES Good Dyall Hamiltonian 2016-09-07 14:49:52 +02:00
README.rst Update readme 2015-11-08 21:02:55 +01:00
loc.f Modifs Manus 2017-10-27 12:20:00 +02:00
loc_cele.irp.f Modifs Manus 2017-10-27 12:20:00 +02:00
loc_exchange_int.irp.f Revert "merge with main branch" 2017-04-20 08:48:06 +02:00
loc_exchange_int_act.irp.f Revert "merge with main branch" 2017-04-20 08:48:06 +02:00
loc_exchange_int_inact.irp.f logical comparisons with .eqv. 2016-11-14 19:33:17 +01:00
loc_exchange_int_virt.irp.f logical comparisons with .eqv. 2016-11-14 19:33:17 +01:00
tree_dependency.png Going back to png 2015-07-16 14:25:20 +02:00

README.rst

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

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

`loc_rasorb <http://github.com/LCPQ/quantum_package/tree/master/src/loc_cele/loc_cele.irp.f#L1>`_
  This program performs a localization of the active orbitals
  of a CASSCF wavefunction, reading the orbitals from a RASORB
  file of molcas.
  id1=max is the number of MO in a given symmetry.

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

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

.. image:: tree_dependency.png

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

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


.. image:: tree_dependency.png

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

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


`loc_rasorb <http://github.com/LCPQ/quantum_package/tree/master/plugins/loc_cele/loc_cele.irp.f#L1>`_
  This program performs a localization of the active orbitals
  of a CASSCF wavefunction, reading the orbitals from a RASORB
  file of molcas.
  id1=max is the number of MO in a given symmetry.