GAMESS-UK

Abstract

"GAMESS-UK is the 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. More information on the features and capabilities of the code can be found on the features page or by clicking on the relevant links on the navigation bar to the left." - http://www.cfs.dl.ac.uk/