Subject: Re: CCL:MPQC

From: "Steven Wheeler" <swheele2{at}hermes.ccqc.uga.edu>
Date: Sun, 26 Oct 2003 00:59:57 -0400 (EDT)

I've used MPQC primarily for very large MP2 and SCF calculations, and have
been very pleased.  I have not tried it with DFT (nor have I used GAMESS),
though it would surely be worth a try.  It is specifically designed for
parallel processing, but seems to run well on single processor machines as
well.  It also has efficient direct implementations of some open-shell MP2
theories (OPT2 and ZAPT2).

Steven
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Steven E. Wheeler                      | phone: 706 542-7379
Ctr. for Comp. Quantum Chem. | fax:   706 542-0406
University of Georgia     | e-mail: swheele2{at}ccqc.uga.edu
Athens, GA  30602-2556      | http://hermes.ccqc.uga.edu
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> Hi.
>
> Have anybody any expirience with MPQC quamtum chemical software? How is
> it in comparison with gamess us?
>
> It is GPLed and had DFT, looks interesting.
>
> Thank you in advance.
>
> 	--- Dmitry.