CCL:G: PQS ab initio







> Sent to CCL by: "Jim Kress" [ccl_nospam%%kressworks.com]
> It's a violation of the (absurd) Gaussian license to perform such a
> comparison.  If one does such a comparison they will be banned by Gaussian
> > from using their software.
>
> http://www.bannedbygaussian.org/


Which shows that one must not buy Gaussian at all.

There are some benchmarks of PQS computations:

http://www.pqs-chem.com/benchmarks.shtml

Regards,

Andras Borosy

>
> > -----Original Message-----
> > From: Debasis Sengupta dxs%%cfdrc.com
> > [mailto:owner-chemistry---ccl.net]
> > Sent: Friday, April 28, 2006 3:49 PM
> > To: Kress, Jim
> > Subject: CCL:G: PQS ab initio
> >
> > Sent to CCL by: Debasis Sengupta [dxs]=[cfdrc.com] Hi, I was
> > wondering if anybody has performed any benchmark test on the
> > speed of Gaussian 03 and PQS ab initio software (both serial
> > and parallel).
> > Also I am interested in knowing the experience with PQS from
> > those who have used it for a while.
> > Thanks
> > Debasis
> >
> >
> >
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