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From: Karol L. <kar...@gm...> - 2016-05-15 07:53:17
|
File will go in with https://github.com/cclib/cclib-data/pull/33 and the fix with https://github.com/cclib/cclib/pull/277. On Sat, May 14, 2016 at 1:12 AM, Karol Langner <kar...@gm...> wrote: > 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 >>>> >>>> >>>> Instituto Superior Minero Metalúrgico de Moa Dr. Antonio Núñez Jiménez >>>> 40 años al servicio de la docencia, la investigación y la innovación >>>> tecnológica >>>> >>>> >>>> ------------------------------------------------------------------------------ >>>> Find and fix application performance issues faster with Applications >>>> Manager >>>> Applications Manager provides deep performance insights into multiple >>>> tiers of >>>> your business applications. It resolves application problems quickly and >>>> reduces your MTTR. Get your free trial! >>>> https://ad.doubleclick.net/ddm/clk/302982198;130105516;z >>>> _______________________________________________ >>>> cclib-users mailing list >>>> ccl...@li... >>>> https://lists.sourceforge.net/lists/listinfo/cclib-users >>>> >>> >>> >>> >>> 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 >> >> > |
|
From: Karol L. <kar...@gm...> - 2016-05-14 08:12:52
|
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 >>> >>> >>> Instituto Superior Minero Metalúrgico de Moa Dr. Antonio Núñez Jiménez >>> 40 años al servicio de la docencia, la investigación y la innovación >>> tecnológica >>> >>> >>> ------------------------------------------------------------------------------ >>> Find and fix application performance issues faster with Applications >>> Manager >>> Applications Manager provides deep performance insights into multiple >>> tiers of >>> your business applications. It resolves application problems quickly and >>> reduces your MTTR. Get your free trial! >>> https://ad.doubleclick.net/ddm/clk/302982198;130105516;z >>> _______________________________________________ >>> cclib-users mailing list >>> ccl...@li... >>> https://lists.sourceforge.net/lists/listinfo/cclib-users >>> >> >> >> >> 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 > > |
|
From: Karol L. <kar...@gm...> - 2016-05-14 08:11:05
|
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 >> >> >> Instituto Superior Minero Metalúrgico de Moa Dr. Antonio Núñez Jiménez >> 40 años al servicio de la docencia, la investigación y la innovación >> tecnológica >> >> >> ------------------------------------------------------------------------------ >> Find and fix application performance issues faster with Applications >> Manager >> Applications Manager provides deep performance insights into multiple >> tiers of >> your business applications. It resolves application problems quickly and >> reduces your MTTR. Get your free trial! >> https://ad.doubleclick.net/ddm/clk/302982198;130105516;z >> _______________________________________________ >> cclib-users mailing list >> ccl...@li... >> https://lists.sourceforge.net/lists/listinfo/cclib-users >> > > > > 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 |
