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mirror of https://github.com/LCPQ/quantum_package synced 2024-12-22 20:35:19 +01:00
quantum_package/plugins/loc_cele
Lorenzo Tenti 045d116bd3 Merge branch 'master' of https://github.com/LCPQ/quantum_package into LCPQ-master
Conflicts:
	ocaml/qp_edit.ml
	plugins/loc_cele/loc.f
	plugins/loc_cele/loc_cele.irp.f
2016-03-14 17:49:10 +01:00
..
.gitignore Epic merge for the doc... 2015-07-16 15:44:51 +02:00
loc_cele.irp.f Merge branch 'master' of https://github.com/LCPQ/quantum_package into LCPQ-master 2016-03-14 17:49:10 +01:00
loc.f Now print_mo works with the new version of Molden, loc_cele fixed. 2016-03-14 17:32:20 +01:00
NEEDED_CHILDREN_MODULES Realy fix #84 2015-07-03 12:35:24 +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

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.