Jonathan, can you send me the GAMESS file and explain exactly what it should
be doing?
Bob
On Thu, Jun 18, 2009 at 3:02 PM, Jonathan Gutow <[email protected]> wrote:
> I've found where in the GAMESS readers the MOs from the different
> atomsets (frames) are loaded into only one orbital data structure.
> I'm still not clear how we are associating these orbitals with a
> particular atomset. Is it simply that we have an moData entry in the
> auxiliary info? If so shouldn't this also have something that tells
> which range of orbitals is associated with each atomset? If I can
> figure that out, I think I can safely fix the problem. We need a
> different set of orbitals for each atom set.
>
> Thanks,
> Jonathan
>
> Dr. Jonathan H. Gutow
> Chemistry Department [email protected]
> UW-Oshkosh Office:920-424-1326
> 800 Algoma Boulevard FAX:920-424-2042
> Oshkosh, WI 54901
> http://www.uwosh.edu/faculty_staff/gutow/
>
>
>
>
>
>
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--
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St. Olaf College
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