GAMESS-UK

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GAMESS-UK is a general purpose ab initio molecular electronic structure program for performing SCF-, DFT- and MCSCF-gradient calculations, together with a variety of techniques for post Hartree Fock calculations. The program is derived from the original GAMESS code, obtained from Michel Dupuis in 1981, and has been extensively modified and enhanced sincce then. Available for free to U.K. academics.