Re: [cclib-devel] problem of parsing clusters with large spin multiplicity

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

Is this the bug you added to the tracker recently?

On Wednesday 24 October 2007 11:12, Noel O'Boyle wrote:
> Thanks for reporting this problem. I will fix this in cclib...
>
> In the meanwhile, just change the line:
>  Charge =3D  0 Multiplicity =3D18
> to...
>  Charge =3D  0 Multiplicity =3D 18
> by adding a space after the equals sign. It should work then.
>
> Noel
>
> On 24/10/2007, su...@yo... <su...@yo...> wrote:
> > Dear Mr. O=B4Boyle.
> >
> >  I am having problem with parsing the output G03 file of rh_13 clusters
> > by Gausssum, one of them is rh_13 with 2s+1=3D10, the other is Rh_13 wi=
th
> > 2s+1=3D18, I attached the zipped output file and if you could take a lo=
ok
> > and give me some suggestion, I will greatly appreciate. Thank you for
> > your help.
> >
> > All the best,
> >
> > Yan

=2D-=20
written by Karol Langner
Mon Oct 29 20:51:10 EDT 2007