File	Date	Author	Commit
bin	2011-02-11	Anthony Scemama	[150826] Acceleration of multi-det
doc	2010-12-03	Anthony Scemama	[2df6be] Improvements
rpm	2009-06-19	Anthony Scemama	[1f9844] added eplf_input.py
scripts	2010-12-17	Anthony Scemama	[8d290e] Reduce number of dets
src	2012-09-21	Anthony Scemama	[711c7c] Minor bugs
test	2009-12-21	Anthony Scemama	[4a6ce8] Accelerated gaussian product
EZFIO.tar.gz	2012-09-21	Anthony Scemama	[711c7c] Minor bugs
LICENSE	2009-09-29	Anthony Scemama	[688fe8] Preparation for SourceForge
Makefile	2012-03-08	Anthony Scemama	[ce07d1] Bug in density
README	2009-10-29	Anthony Scemama	[75ad77] ELF added
configure	2011-03-23	Anthony Scemama	[fdaaa4] One-electron density matrix OK + Bug corrected ...
configure.ac	2012-05-31	Anthony Scemama	[1fba72] Configure options
eplf.config	2011-03-23	Anthony Scemama	[f6ad2c] Bug
make.config.in	2009-12-04	Anthony Scemama	[6d29b1] Improved Makefile and configure
version	2011-03-23	Anthony Scemama	[fdaaa4] One-electron density matrix OK + Bug corrected ...

Read Me

+==============================================================================+
|                                  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