Re: [cclib-devel] Hessian code for gaussianparser.py

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

Hi Matt,

Sounds good. If you could send a patch to this list, we can take a
look. We already have some hessian code somewhere (I think?) so we
will need to make sure that the units are standardised and so forth.

If you checked our code out of subversion, "svn diff" will create the
patch. Otherwise, use "diff -u oldfile newfile > a.patch". If all else
fails, just attach the modified file.

- Noel

On 5 February 2010 06:26, Matt W <pb...@gm...> wrote:
> Hello all,
>   I recently wrote a short bit of code for cclib to read the Hessian from a
> Gaussian output file.  If there is interest in adding this to the project,
> what is the best way to submit it?
>
> Best Regards,
>
> Matt W
>
>
>
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