Statistiques
| Révision :

root / src / Calc_mixed_frag.f90

Historique | Voir | Annoter | Télécharger (36,11 ko)

# 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)

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

5 25/02/2013 18:00 Paul Fleurat-Lessard

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...

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