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Name Size Revision Age Author Comment
  doc 4 almost 10 years Paul Fleurat-Lessard Big change: - New methods for Hessian updates ...
  examples 5 almost 10 years Paul Fleurat-Lessard Small updates for xyz2scan and xyz2path utilities.
  src 4 almost 10 years Paul Fleurat-Lessard Big change: - New methods for Hessian updates ...
  utils 4 almost 10 years Paul Fleurat-Lessard Big change: - New methods for Hessian updates ...
Mini_help.pdf 24 Bytes 1 about 10 years Emmanuel Quemener Original import

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# Date Author Comment
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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