quantum_package

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History

Emmanuel Giner bc6c26fb73 Add the FOBOCI routines		2016-02-17 17:15:54 +01:00
..
.gitignore
loc_cele.irp.f	Add the FOBOCI routines	2016-02-17 17:15:54 +01:00
loc.f	Add the FOBOCI routines	2016-02-17 17:15:54 +01:00
NEEDED_CHILDREN_MODULES
README.rst	Update readme	2015-11-08 21:02:55 +01:00
tree_dependency.png

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.