GU: New GAMESS Version - June/22/1996

[Gotthard Saghi-Szabo <gotthard@chem.umd.edu>]

Dears,
 You should send a letter to Mike Schmidt for the new version of GAMESS, 
now, ONLY IF you cannot live without 

1, treating MCSCF wavefunctions with the quasi-Newton orbital optimizer, or
2, including frozen core orbitals in MP2 gradients

 Otherwise, please, wait for couple of weeks or so. Distributing the
program to dozens of requesters daily can be quite demanding and could
paralyze their lab for days. Thanks for your consideration.


The current version of GAMESS is dated 22 June 1996
==================================================

   June 22, 1996:
   The quasi-Newton orbital optimizer is extended to treat MCSCF
   functions. MP2 gradients now allow frozen core orbitals to be present.

   November 22, 1995:
   Analytic gradients for closed shell MP2 can be computed. CONOPT, a new
   geometry search scheme for locating saddle points is implemented. Two
   algorithms for tracing gradient extremals on the potential energy
   surface are included. Morokuma decomposition is enhanced, in
   particular to allow up to ten monomers.

   July 26, 1995:
   The quasi-Newton SCF (SOSCF) convergence procedure is extended to
   include ROHF and all GVB wavefunctions. The DIIS option for GVB is
   also enhanced.

How to get a copy of GAMESS
===========================

   A site license for GAMESS is available at no cost to both academic and
   industrial users. You will be asked to print out on paper, sign, and
   mail a letter acknowledging the Gordon group's copyright to GAMESS.
   This letter also prohibits you from making copies of GAMESS except for
   use at your own institution. Please note the distinction between "a
   site license at no cost" and terms such as "public domain" or
   "freeware".

   You can request a copy of GAMESS from Mike Schmidt by sending E-mail
   to mike@si.fi.ameslab.gov. Additional information about the process is
   available below.

   GAMESS runs on nearly all computer systems, workstations or
   mainframes, scalar or parallel. We have IBM RS/6000 and DEC AXP
   workstations, and a 8 node IBM SP2 in Ames, and these are the only
   machines we can guarantee will work correctly. However, versions for
   many other computer systems exist, including DEC VAX/VMS, IBM
   mainframes (MVS or VM), Cray, Intel Paragon, Thinking Machines CM-5,
   and HP, Sun, or SGI workstations, although not all of these will have
   been tested recently.

Regards,
Gotthard
--
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http://granite.ciw.edu/~gotthard/