Re: [cclib-devel] [cclib-users] gamessparser

[Karol L. <kar...@gm...>]

Oh, it won't go through, probably because it's a zip archive. I'll just add
it to cclib-data straight away.

On Sat, May 14, 2016 at 1:10 AM, Karol Langner <kar...@gm...>
wrote:

> Will forward Alexis's file in a moment as well.
>
> ---------- Forwarded message ----------
> From: Alexis Otero Calvi <ao...@is...>
> Date: Wed, May 11, 2016 at 7:14 AM
> Subject: Re: [cclib-users] gamessparser
> To: Karol Langner <kar...@gm...>
>
>
> Hi Karol
> Ok, you can use.
>
> Alexis
>
> ------------------------------
> *De: *"Karol Langner" <kar...@gm...>
> *Para: *"Alexis Otero Calvi" <ao...@is...>
> *Enviados: *Miércoles, 11 de Mayo 2016 3:47:30
>
> *Asunto: *Re: [cclib-users] gamessparser
>
> Hi Alexis,
>
> I have a fix ready for this. Are you OK with releasing this logfile to the
> Public Domain so that we can use it as a regression test for future
> versions?
>
> Best,
> Karol
>
>
> On Mon, May 9, 2016 at 6:20 AM, Alexis Otero Calvi <ao...@is...>
> wrote:
>
>> Hi Karol
>> output file of Cd complexes.
>>
>> Alexis
>>
>>
>> ------------------------------
>> *De: *"Karol Langner" <kar...@gm...>
>> *Para: *"Alexis Otero Calvi" <ao...@is...>
>> *CC: *ccl...@li...
>> *Enviados: *Viernes, 6 de Mayo 2016 15:36:13
>> *Asunto: *Re: [cclib-users] gamessparser
>>
>>
>> Hi Alexis,
>>
>> Could you provide us with an example output file that causes this error?
>>
>> Karol
>>
>> On Fri, May 6, 2016 at 9:55 AM, Alexis Otero Calvi <ao...@is...>
>> wrote:
>>
>>> Hi all
>>>
>>> I tried to use cclib to extract information of Gamess log files, but
>>> have met with the following
>>>
>>> Traceback (most recent call last):
>>>   File "/usr/local/bin/ccget", line 180, in <module>
>>>     ccget()
>>>   File "/usr/local/bin/ccget", line 153, in ccget
>>>     data = ccread(filename, **kwargs)
>>>   File "/usr/local/lib/python2.7/dist-packages/cclib/parser/ccio.py",
>>> line 107, in ccread
>>>     return log.parse()
>>>   File
>>> "/usr/local/lib/python2.7/dist-packages/cclib/parser/logfileparser.py",
>>> line 309, in parse
>>>     self.extract(inputfile, line)
>>>   File
>>> "/usr/local/lib/python2.7/dist-packages/cclib/parser/gamessparser.py", line
>>> 968, in extract
>>>     self.mocoeffs[0][base+j, i] = float(coeffs[j * 11:(j + 1) * 11])
>>> ValueError: could not convert string to float: B
>>>
>>> How I can solve it?
>>>
>>> cclib version 1.4
>>>
>>>
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>>> 40 años al servicio de la docencia, la investigación y la innovación
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>>
>>
>>
>> Instituto Superior Minero Metalúrgico de Moa Dr. Antonio Núñez Jiménez.
>> 40 años al servicio de la docencia, la investigación y la innovación
>> tecnológica.
>> ------------------------------
>> www.ismm.edu.cu
>>
>
>
>
> Instituto Superior Minero Metalúrgico de Moa Dr. Antonio Núñez Jiménez.
> 40 años al servicio de la docencia, la investigación y la innovación
> tecnológica.
> ------------------------------
> www.ismm.edu.cu
>
>