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Gamess-US

Gamess-US

Categories for this software:

Computational Chemistry

What is Gamess-US

GAMESS-US is a program for ab initio quantum chemistry. Briefly, GAMESS-US 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. Many basis sets are stored internally, and together with effective core potentials, all elements up to Radon may be included in molecules. Several graphics programs are available for viewing of the final results. Many of the computational functions can be performed using direct techniques, or in parallel on appropriate hardware. GAMESS-US is distributed from AMES lab

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Hosts where Gamess-US is installed at VPAC	Select more details to find out specific details of how to run the software on that host. Selecting the hostname will provide details about the host.
	Location Details about System Version Default (Suggested) More Details Notes   Installed     VPAC / Vic tango.vpac.org 6.0 How to Use    12-Jan-2009 How to Use    4 Oct 2007 How to Use Access Prerequisite    edda.vpac.org xlf How to Use    22-Feb-2006 How to Use    wexstan.vpac.org 22-Feb-2006 How to Use
Other Australian HPC Centres where Gamess-US is installed
	Location Details about System Version Default (Suggested) More Details Notes   Installed     NCI National Facility @ ANU vayu.nci.org.au 25-Mar-2010 How to Use    12-Jan-2009 How to Use    11-Apr-2008 How to Use    xe.nci.org.au 25-Mar-2010 How to Use    12-Jan-2009 How to Use    11-Apr-2008 How to Use    CSIRO ASC cherax.hpsc.csiro.au 11-Apr-2008 How to Use    iVEC / WA cognac.ivec.org 12-Jan-2009 How to Use    24-Mar-2007 How to Use    27-Jun-2005 How to Use    eRSA / SA hydra.sapac.edu.au ---- How to Use    James Cook University (QCIF / Qld) hydra.jcu.edu.au -- How to Use

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