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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
This is an intermediate update (kind of v1.47-v1.48) with an experimental support of Siesta.On top of this, I have cleaned some routines: Read_geom.f90 and ReadInput.f90 are 'interface' routines that call the right subroutine (ReadGeom_cart, ReadGeom_turbomole, ReadInput_gaussian, ...) depending on the...