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

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

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 b=
y
> Gausssum, one of them is rh_13 with 2s+1=3D10, the other is Rh_13 with 2s=
+1=3D18, I
> attached the zipped output file and if you could take a look and give me =
some
> suggestion, I will greatly appreciate. Thank you for your help.
>
> All the best,
>
> Yan
>