Re: [cclib-devel] Having some trouble getting Gaussum to work with ONIOM logfiles

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

There's a long standing problem parsing ONIOM files. We (i.e. at
cclib) know about it, and have a test case - we just haven't sorted it
out.

I'll bump this up the priority list.

- Noel

On 11 July 2011 08:40, Jason Alvino <jas...@ad...> wrote:
> Hi,
> I'm trying to use Gaussum 2.2.5 to open some ONIOM logfiles and look at the
> DOS but it gives me the following error:
> "Traceback (most recent call last):
> File "gausssum\gausssumgui.pyc", line 404, in runscript
> File "gausssum\popanalysis.pyc", line 439, in Popanalysis
> AttributeError: 'ccData' object has no attribute 'nbasis'"
> I am running Windows 7, using the all-in-one gausssum package and trying to
> open a Gaussian 09 ONIOM calculation and generate the DOS. I can parse the
> logfiles and generate the frequency spectrum and other things just fine, it
> only seems to have problems generating the DOS or COOP.
> Have you seen this error before?
> Any help would be much appreciated (Not that I don't appreciate GaussSum
> already!)
> Cheers,
> -Jason
> --
> Jason F. Alvino
> PhD Candidate (Chemistry)
> School of Chemistry and Physics
> University of Adelaide, AUSTRALIA 5005
> Ph: +61 8 8303 3707
>