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v1.50 at last ! Unused files deleted. Licence is now clearly AGPL(GNU Affero General Public License)
Periodic calculations are now handled for Siesta, Mopac and Gaussian.Some bugs have also been corrected.
Siesta is working, and I have added one example for it.The main update here is that geometrical changes can now be monitored directlyin Opt'n Path using AnaGeom and GeomFile. See Manual with Path.exe -help
No new functionalities. A small bug corrected, and some cleaning of many routines, to suppress the 'unused' variables warnings (at least with gfortran).
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