OpenPath is dead, Long live Opt'n Path

Added by Paul Fleurat-Lessard almost 9 years ago

The OpenPath project has been renamed into Opt'n Path.

Check it at:

OpenPath Version 1.4

Added by Paul Fleurat-Lessard over 9 years ago

OpenPath 1.4 has been released.

Big changes:
- New methods for Hessian updates have been added. The following methods are now availables:
For inverse Hessian: BFGS, DFP, MS.
For Hessian: BFGS, DFP, MS, Bofill
- Some output files have been added to the examples directories. For the moment, only for the Prog='test' option....

Small changes:
- Added two flags: CalcEReac and CalcEProd. If .TRUE. Path will compute the energy of the reactant
(and/or Product) at the begining of the calculations. This is useful if you start from non optimized points.
- The "HesUpd" flag is replaced by "Hupdate"
- some code cleaning.
- Some utilities for the HCN toy system (in ~/examples/Test) have been improved.

It can be downloaded either with SVN or at

OpenPath Version 1.3

Added by Paul Fleurat-Lessard almost 10 years ago

OpenPath 1.3 has been released. Small bugs have been fixed.

It can be downloaded either with SVN or at

Sortie de OpenPath en version 1

Added by Emmanuel Quemener about 10 years ago

La version 1 de OpenPath est maintenant disponible en libre téléchargement.

Comme le mentionne la licence, le logiciel est distribué sous licence GNU/GPL ou CeCILL (

Tout utilisateur, par contre, s'engage tacitement à mentionner l'auteur (Paul Fleurat Lessard) dans le cadre d'une publication scientifique s'il a fait usage du présent logiciel.

Le logiciel est disponible sur le lien suivant :

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