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README 139 octet 9 plus de 5 ans Paul Fleurat-Lessard The OpenPath project has been renamed into Opt'...

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# Date Auteur Commentaire
9 12/03/2012 11:19 Paul Fleurat-Lessard

The OpenPath project has been renamed into Opt'n Path.
Check it at:
http://perso.ens-lyon.fr/paul.fleurat-lessard/ReactionPath.html

8 04/08/2011 18:00 Paul Fleurat-Lessard

Egrad_baker has (finally) been merged into Egrad.

7 29/06/2011 21:21 Paul Fleurat-Lessard

Forgot to commit the changes in Makfiles

6 29/06/2011 21:18 Paul Fleurat-Lessard

Using F90 version of xyz2scan and xyz2path.

5 29/06/2011 21:15 Paul Fleurat-Lessard

Small updates for xyz2scan and xyz2path utilities.

4 29/06/2011 16:36 Paul Fleurat-Lessard

Big change:
- 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....

3 05/04/2011 13:33 Paul Fleurat-Lessard

Small bug fix for Xyz2Path and Xyz2Scan (Nat was not assigned properly.)

2 14/03/2011 20:54 Paul Fleurat-Lessard

PFL 2011/03/14
- Added a bit more printing that should be used soon in AnaPath
- Corrected a bug when Prog='VASP' and input='XYZ': the Frozen labels were not read properly.

1 25/02/2011 16:12 Emmanuel Quemener

Original import

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