GAMESS GAMESS is a program for ab initio quantum chemistry. Briefly, GAMESS can compute wavefunctions ranging from RHF, ROHF, UHF, GVB, and MCSCF, with CI and MP2 energy corrections available for some of these. Analytic gradients are available for these SCF functions, for automatic geometry optimization, transition state searches, or reaction path following. Computation of the energy hessian permits prediction of vibrational frequencies. A variety of molecular properties, ranging from simple dipole moments to frequency dependent hyperpolarizabilities may be computed. They have Linux port but is not tested yet.

Current Version:   18 March 1997 License Type:   Free for both academic and industrial users.

Home Site: http://www.msg.ameslab.gov/GAMESS/GAMESS.html Source Code Availability:   Yes Available Binary Packages: Debian Package:   No RedHat RPM Package:   No Other Packages:   No Targeted Platforms: GAMESS runs on nearly all computer systems, workstations or mainframes, scalar or parallel. Detail at http://www.msg.ameslab.gov/GAMESS/dist.menu.html Software/Hardware Requirements: None

Other Links: None Mailing Lists/USENET News Groups: None User Comments: None See A Screen Shot? (Not Yet)

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