Re: [cclib-users] cclib-0.91 bug Gaussian parser does not parse Vibsyms correctly if T symm

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

Hello Klemens,

Thanks for letting us know. To fix bugs we need public domain test
files - are you happy to place your attached files in the public
domain? If not, we'd appreciate if you could generate some small test
files that reproduce the problem.

I've leave the others to discuss Turbomole.

- Noel

On 5 March 2010 07:32, Klemens Noga <kn...@ch...> wrote:
> Dear all,
>
> My name is Klemens Noga and I'm PhD student in Theoretical Chemistry at
> Jagiellonian University in Krakow, Poland. I've started using cclib to parse
> data from GAMESS and Gaussian output files and I probably found bug. When
> there are vibrations with T symmetry they aren't parsed into vibsyms list
> correctly. You could check it in attached example files. Is there any simple
> solution?
> Secondly, I'm interested in parsing data from Turbomole outputs. I've heard
> that cclib development team is working at this issue but i've found only
> very old information and I'm curious about progress.
>
> Best regads,
>
> Klemens
>
>
>
>
>
> Klemens Noga
> Ph.D. student
> Department of Theoretical Chemistry
> Faculty of Chemistry, Jagiellonian University
> Ingardena st. 3, 30-060 Krakow, Poland
> tel. +48-12-6632023
> e.mail: kn...@ch...
>
>
>
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