Re: [cclib-users] GAMESS-US and mpenergies

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

Hello Paulo,

Sounds like a bug.

Could you provide us with a public domain test file? That is, this
should be a test file which you are happy for us to share with the
world.

- Noel

On 25 February 2010 12:16, Paulo E. Abreu <pau...@ci...> wrote:
> Hello,
> I have been using cclib for my parsers and just noticed something odd about
> GAMESS-US files with MP2 calculations.
> According to http://cclib.sourceforge.net/wiki/index.php/Parsed_Data and
>  http://cclib.sourceforge.net/wiki/index.php/Mpenergies
> this is available for GAMESS-US output files. The problem is that I cannot
> access this information. The logging after parsing the file
> does not show any mpenergies and consequently when I try to use it I get an
> error
> AttributeError: 'ccData' object has no attribute 'mpenergies'
> Is there something which I am missing here ?
> ===begin code snippet
> myfile = ccopen("mp2.out")
> data = myfile.parse()
> print data.mpenergies
> ===end code snippet
> Thanks a lot
> --
> Paulo E. Abreu
> Professor Auxiliar
> Departamento de Química
> Faculdade de Ciências e Tecnologia da Universidade de Coimbra
>
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