Subject: PC GAMESS version 5.2 is available

From: [email-masked]
Date: Wed, 05 May 1999 17:18:41 +0400

Dear GAMESS users,

   New PC GAMESS version 5.2 has been released and is currently available from
the PC GAMESS www and ftp sites (soon it will also be available from the 
official GAMESS www and ftp servers).

As compared to the previous public PC GAMESS version 5.1, the main new features
are as follows:

     It is now possible to run the PC GAMESS under Linux;

     New RHF MP4(SDTQ) (i.e., full MP4) energy module is added.
     It seems that the PC GAMESS implementation of MP3/MP4 energies is 
     the fastest among those currently available on Intel platform,
     see http://classic.chem.msu.su/gran/gamess/performance.html for details;

     The SMP scaling properties of MP3/MP4 calculations are improved
     considerably;

     The speed of MP2 gradient calculations for non-abelian symmetry groups
     is increased;

     The speed of Conjugated Gradient solver (used mainly during calculations
     of analytical second derivatives) is improved significantly;

     The Finite field module is changed to avoid reevaluations of 2-e integrals
     if possible;

     The ECP integrals module is rewritten to avoid numerical
     instability problems.

  For further information, see the URLs
      http://classic.chem.msu.su/gran/gamess/index.html
      http://quantum-2.chem.msu.ru/gran/gamess/index.html

Yours sincerely,

Alex. A. Granovsky,

Laboratory of Chemical Cybernetics,
Moscow State University