Statistiques
| Révision :

root / src / ReadInput_siesta.f90 @ 12

Historique | Voir | Annoter | Télécharger (17,97 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)

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.

9 19/03/2013 15:46 Paul Fleurat-Lessard

Documentation has been improved in Mini_help, as well as in Path.f90.
A bug corrected in geometry optimization for cartesian coordinates.

6 25/02/2013 20:30 Paul Fleurat-Lessard

Last part of Siesta input reading is done. Siesta should now workd fully.

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...