GAMESS version May 1, 2012 R1 now available

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Brett Bode

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May 29, 2012, 10:14:49 PM5/29/12
to GAMESS Announce
Hello,
The May 1, 2012 R1 release of GAMESS is now available from the
usual site. Highlights of the release include:

Technical improvements such as Z-vector solutions to the MCSCF
response equation solver mean that state-averaged MCSCF gradients or
NACME vectors are available, for CAS-SCF and ORMAS. The state-
averaging weights may be dynamically adjusted. The multi-reference
calculations (MCSCF, MRMP, and MRCI) are interfaced to the MPQC
program to obtain PT2-R12 corrections. Valence Virtual Orbitals (for
example, useful for starting MCSCF) are available for all elements to
Xenon. The VVOs may also be used to speedup up charge-transfer in EFP2
calculations. The FMO program's fully analytic gradient can be used
with EFP particles present. Changes to the DFT program include the
availability of M11 functionals, and two photon absorption cross-
sections during TD-DFT. The source code for the VB2000 valence bond
program is now included, and compiled by default on some machines.

The source and Mac OS X binaries are currently available, Windows
binaries will follow in a few days.

http://www.msg.chem.iastate.edu/gamess/License_Agreement.html

Enjoy!
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