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Computes the Electron Pair Localization Function
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Anthony Scemama cd0cc7b1a5 Introduced second order density matrix
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README 

+==============================================================================+
|                                  EPLF                                        |
+==============================================================================+

Dependencies:
-------------

- EZFIO library : http://ezfio.sourceforge.net
- IRPF90 : http://irpf90.sourceforge.net
- Python > 2.3
- Any Fortran 90 compiler (gfortran, for example)

Installing EPLF:
------------------

- As the super-user, run
./eplf.install


Using EPLF:
-------------

 With Gaussian:
 --------------

 1 - Add the following keywords to your Gaussian input:
 # GFPRINT pop=Full 6d 10f
 
 2 - Run Gaussian. You obtain an output file (x.out)

 3 - Run the eplf_input.py script:
 eplf_input.py x.out

 4 - You now have a QCIO directory which contains the wave function data.

 5 - Run eplf to get a cube file



Web Site:
http://eplf.sourceforge.net

Author:
Anthony Scemama, LCPQ-IRSAMC, CNRS-Universite Paul Sabatier
scemama@irsamc.ups-tlse.fr
http://sourceforge.net/userapps/mediawiki/scemama