---------- Forwarded message ----------
From: Klemens Noga <kn...@ch...>
Date: 5 March 2010 09:48
Subject: Re: [cclib-users] cclib-0.91 bug Gaussian parser does not
parse Vibsyms correctly if T symm
To: Noel O'Boyle <bao...@gm...>
Dear Noel,
Feel free to place those files in the public domain.
Best regards,
Klemens
On 5 Mar 2010, at 10:39, Noel O'Boyle wrote:
> 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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>>
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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