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v1.50 at last ! Unused files deleted. Licence is now clearly AGPL(GNU Affero General Public License)
Documentation has been improved in Mini_help, as well as in Path.f90.A bug corrected in geometry optimization for cartesian coordinates.
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...
No new functionalities. A small bug corrected, and some cleaning of many routines, to suppress the 'unused' variables warnings (at least with gfortran).
Initial Import