Statistiques
| Révision :

root @ 8

Nom Taille Révision Âge Auteur Commentaire
  doc 1 environ 7 ans Paul Fleurat-Lessard Initial Import
  examples 8 presque 6 ans Paul Fleurat-Lessard Siesta is working, and I have added one example...
  src 8 presque 6 ans Paul Fleurat-Lessard Siesta is working, and I have added one example...
  utils 8 presque 6 ans Paul Fleurat-Lessard Siesta is working, and I have added one example...
Mini_help.pdf 24 octet 1 environ 7 ans Paul Fleurat-Lessard Initial Import

Dernières révisions

# Date Auteur Commentaire
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

7 27/02/2013 13:39 Paul Fleurat-Lessard

Another intermediate upgrade. AnaPath is being integrated into Opt'n Path directly.

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...

4 16/11/2012 16:26 Paul Fleurat-Lessard

Cosmetic changes.

3 16/11/2012 16:23 Paul Fleurat-Lessard

A new analytical PES has been added: LEPS
Some minor corrections in a few files.

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

Voir toutes les révisions | Voir les révisions

Formats disponibles : Atom