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# Date Auteur Commentaire
12 05/03/2014 21:13 Paul Fleurat-Lessard

v1.50 at last ! Unused files deleted. Licence is now clearly AGPL
(GNU Affero General Public License)

10 25/06/2013 10:52 Paul Fleurat-Lessard

Periodic calculations are now handled for Siesta, Mopac and Gaussian.
Some bugs have also been corrected.

8 28/02/2013 13:30 Paul Fleurat-Lessard

Siesta is working, and I have added one example for it.
The main update here is that geometrical changes can now be monitored directly
in Opt'n Path using AnaGeom and GeomFile. See Manual with Path.exe -help

2 31/07/2012 16:30 Paul Fleurat-Lessard

No new functionalities. A small bug corrected, and some cleaning of many routines, to suppress the 'unused' variables warnings (at least with gfortran).

1 04/12/2011 21:01 Paul Fleurat-Lessard

Initial Import