Re: [cclib-devel] Problem with Firefly(PCGAMESS)

[Pavel S. <pav...@gm...>]

Yes. You can place this log file in the public domain

PS.



On 03/22/2012 05:44 AM, Noel O'Boyle wrote:
> Hello Pavel,
>
> We have a policy of only fixing bugs for public domain log files. Are
> you happy to place this log file in the public domain?
>
> - Noel
>
> On 22 March 2012 05:12, Pavel Solntsev <pav...@gm...> wrote:
>> Hi i have a file from Firefly ( pcgamess)i can't parse with cclib. I use
>> version form svn and QMforge program. In console i got
>> [GAMESS <path to my file>/triazole_tddft_c1_b3lyp_631Gdp_sp.out WARNING]
>> MO section found but could not be parsed!
>> Traceback (most recent call last):
>>  File "/usr/local/lib/python2.7/dist-packages/qmforge/qmforge.py", line
>> 250, in fileOpen
>>  File "/usr/local/lib/python2.7/dist-packages/qmforge/qmforge.py", line
>> 150, in open
>>  File
>> "/usr/local/lib/python2.7/dist-packages/cclib/parser/logfileparser.py",
>> line 221, in parse
>>  File
>> "/usr/local/lib/python2.7/dist-packages/cclib/parser/gamessparser.py",
>> line 720, in extract
>>    self.logger.warning('MO section found but could not be parsed!')
>>  File "/usr/lib/python2.7/logging/__init__.py", line 1144, in warning
>>    self._log(WARNING, msg, args, **kwargs)
>>  File "/usr/lib/python2.7/logging/__init__.py", line 1250, in _log
>>    self.handle(record)
>>  File "/usr/lib/python2.7/logging/__init__.py", line 1260, in handle
>>    self.callHandlers(record)
>>  File "/usr/lib/python2.7/logging/__init__.py", line 1300, in callHandlers
>>    hdlr.handle(record)
>> TypeError: QWidget.handle(): too many arguments
>>
>> If i run this file with gamess us it goes withput problems. The problem
>> file for Firefly is attached.
>>
>> Thank you.
>>
>> Pavlo.
>>
>>
>>
>> --
>> Pavlo V. Solntsev
>> pavlo.solntsev at gmail.com
>>
>>
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-- 
Pavlo V. Solntsev
pavlo.solntsev at gmail.com