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README 139 Bytes 9 about 7 years Paul Fleurat-Lessard The OpenPath project has been renamed into Opt'...

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# Date Author Comment
9 03/12/2012 11:19 am 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 08/04/2011 06:00 pm Paul Fleurat-Lessard

Egrad_baker has (finally) been merged into Egrad.

7 06/29/2011 09:21 pm Paul Fleurat-Lessard

Forgot to commit the changes in Makfiles

6 06/29/2011 09:18 pm Paul Fleurat-Lessard

Using F90 version of xyz2scan and xyz2path.

5 06/29/2011 09:15 pm Paul Fleurat-Lessard

Small updates for xyz2scan and xyz2path utilities.

4 06/29/2011 04:36 pm 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 04/05/2011 01:33 pm Paul Fleurat-Lessard

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

2 03/14/2011 08:54 pm 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 02/25/2011 04:12 pm Emmanuel Quemener

Original import

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