GAMESS version August 18, 2016 now available!

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Brett Bode

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Oct 19, 2016, 4:07:31 PM10/19/16

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Hello,
The August 18, 2016 R1 release of GAMESS is now available from the
usual site. Highlights of the release include:

Changes to solvent models can be found in EFP2 (where the exchange repulsion for EFP2/quantum systems is coded, and for which a R^(-7) term is added to the dispersion energy and gradient), and in PCM which can be used with multireference perturbation theory. For heavy element chemistry, the LUT-IOTC method allows quick and accurate energy and gradient calculations, for all ab initio runs, with Sapporo bases provided for all 6th row elements. There are substantial improvements made to the bonding analysis using Singular Value Decomposition orbitals, such as bond orders and energy breakdowns. FMO calculations now include the following: UMP2 and DFTB energy and gradient; Hessians, IR, Raman for RHF/FMO3, ROHF, DFT, and FMO/FDD; PCM solvation with ROHF, UHF, and DFTB; SCZV gradient terms for FMO3, DFTB, DFTB3; use of ECP potentials; RATTLE in MD, and IRC runs. The ZAPT2 energy has been added to libcchem.

The source and binary for Mac OS X are currently available. Binaries for Windows will follow soon. The binaries

do not include GPU acceleration.

The downloads are available via the usual registration and download link:
http://www.msg.chem.iastate.edu/gamess/License_Agreement.html

Enjoy!

Brett Bode

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Nov 21, 2016, 9:50:40 PM11/21/16

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Hello,

The Windows 64 bit binaries are now also available via the usual link. These binaries are the full, standard GAMESS code built for 64 bit Windows installations.