Re: [cclib-users] Forces from gaussian job (feature request)

[Noel O'B. <bao...@gm...>]

Looking at http://cclib.sourceforge.net/wiki/index.php/Parsed_Data,
there's the hessian. Is this what you're looking for?

- Noel

2009/5/15 Hugh Chaffey-Millar <hug...@ch...>:
> Dear CCLib
>
> as far as I can tell, there is no way to extract the forces from a Gaussian
> log file from a force calculation; that is, from a job with the "force"
> keyword.
>
> Is this correct?
>
> If so, I would happily code this feature (for gaussian).
>
> Regards
> Hugh Chaffey-Millar
>
> --
> _______________________________
> Hugh Chaffey-Millar, Dr.
> Alexander von Humboldt Fellow
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