Re: [cclib-devel] Solution for bug - ID: 2935847

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

Fixed in r880. Thanks again.

- Noel

2010/1/23 Noel O'Boyle <bao...@gm...>:
> Hi Dan,
>
> Thanks for the bug report and fix. We need just one more thing - a
> public domain log file that exhibits the problem. Are you happy to
> place the file test2.log in the public domain?
>
> Regards,
>   Noel
>
> 2010/1/22 Daniel Matusek <drm...@gm...>:
>> To whom it may concern,
>>
>>  I submitted the bug report for the GAMESS US parser failing on a job
>> with numerical frequencies (ID: 2935847) and, after further
>> investigation, think I have found the source of the error.  Numerical
>> Hessian jobs do not print IR intensities by default so the parser
>> fails at this point.  I have fixed this by wrapping the lines
>> containing the irIntensity array (line 457 in gamessparser.py, rev
>> 797) in a conditional similar to the section on Raman intensities.
>> However, I don't know that this would be a robust fix so I am not
>> submitting a formal patch.  Hopefully this can be dealt with in the
>> next release.
>>
>> I hope that this is helpful.  In case no one has said so, cclib is a
>> very useful tool and you should be congratulated on your efforts.
>> Regards,
>>
>> Dan Matusek
>>
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>