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Code Issues Releases Wiki Activity

Maj the doc for loc_cele

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Thomas Applencourt 2015-07-03 12:40:48 +02:00
parent f93eeac8e2
commit adc82bb35e
2 changed files with 10 additions and 24 deletions
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plugins/loc_cele/README.rst
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@ -1,7 +1,3 @@
===============
loc_cele Module
===============
Documentation Documentation
============= =============
@ -9,7 +5,10 @@ Documentation
.. by the `update_README.py` script. .. by the `update_README.py` script.
`loc_rasorb <http://github.com/LCPQ/quantum_package/tree/master/src/loc_cele/loc_cele.irp.f#L1>`_ `loc_rasorb <http://github.com/LCPQ/quantum_package/tree/master/src/loc_cele/loc_cele.irp.f#L1>`_
Undocumented This program performs a localization of the active orbitals
of a CASSCF wavefunction, reading the orbitals from a RASORB
file of molcas.
id1=max number of MO in a given symmetry.
Needed Modules Needed Modules
============== ==============

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plugins/loc_cele/loc_cele.irp.f
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implicit none implicit none
! BEGIN_DOC
! This program performs a localization of the active orbitals
! This program performs a localization of the active orbitals ! of a CASSCF wavefunction, reading the orbitals from a RASORB
! file of molcas.
! of a CASSCF wavefunction, reading the orbitals from a RASORB ! id1=max number of MO in a given symmetry.
END_DOC
! file of molcas.
!
! id1=max number of MO in a given symmetry.
!
integer id1 integer id1