quantum_package

mirror of https://github.com/LCPQ/quantum_package synced 2024-12-25 22:03:51 +01:00

History

Anthony Scemama ff37982d15 A lot of cleaning		2018-10-19 17:08:38 +02:00
..
loc_cele.irp.f	Cleaning plugins	2018-10-19 11:32:58 +02:00
loc_exchange_int_act.irp.f	Cleaning plugins	2018-10-19 11:32:58 +02:00
loc_exchange_int_inact.irp.f	Cleaning plugins	2018-10-19 11:32:58 +02:00
loc_exchange_int_virt.irp.f	Cleaning plugins	2018-10-19 11:32:58 +02:00
loc_exchange_int.irp.f	Cleaning plugins	2018-10-19 11:32:58 +02:00
loc.f	Cleaning plugins	2018-10-19 11:32:58 +02:00
NEED	A lot of cleaning	2018-10-19 17:08:38 +02:00
README.rst	Cleaning plugins	2018-10-19 11:32:58 +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.