LCPQ/quantum_package
10
0
Fork 0
mirror of https://github.com/LCPQ/quantum_package synced 2024-06-17 10:45:28 +02:00
Code Issues Releases Wiki Activity
5e8a106d85
quantum_package/plugins/loc_cele
History
Thomas Applencourt 99444757b1 Epic merge for the doc...
2015-07-16 15:44:51 +02:00
..
.gitignore Epic merge for the doc... 2015-07-16 15:44:51 +02:00
loc_cele.irp.f Fix doc never remake 2015-07-03 13:37:10 +02:00
loc.f MRCC(PT2) converges 2015-07-02 00:45:36 +02:00
NEEDED_CHILDREN_MODULES Realy fix #84 2015-07-03 12:35:24 +02:00
README.rst Going back to png 2015-07-16 14:25:20 +02:00
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>`_