Re: [cclib-devel] jaguar files

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

Regarding Jaguar mocoeffs, you're right of course, there are no mocoeffs in
the output file. I think this is a modification of an input file that a
colleague prepared...I see that the mocoeffs are actually in the input file!

I think I should be firm with myself and say that my direct Jaguar access is
over. I hope you will be able to run some jobs. Otherwise, I can ask a
colleague to run them.

Regards,
   Noel

On 28/09/06, Adam Tenderholt <a-t...@st...> wrote:
>
> > Am currently at conference (just presented cclib), so will just
> > give a brief answer. No mocoeffs! Yikes! Are you sure? I'm pretty
> > sure I tried to get the mocoeffs printed out.
>
> I'm pretty sure there aren't mocoeffs. If there are, it's not labeled
> the same was as jaguar files I have.
>
> How'd the poster on cclib go over?
>
> > Do I still have access to Jaguar?? Hmmm...not officially; will
> > probably need to co-opt someone to help. Otherwise, I can certainyl
> > create the appropriate input file as the manual is on the web. Can
> > you wait until next week when I'll have a chance to look at what we
> > have?
>
> It can wait until next week, and I still do have (indirect) access to
> Jaguar 6.0.
>
> Adam
>
>