GAMESS-UK is an ab initio molecular electronic structure program for performing SCF- and MCSCF-gradient calculations, together with a variety of techniques for post Hartree Fock calculations. Based on the original GAMESS software from the National Resource for Computational Chemistry (NRCC, 1981), development of the code over the past decade has been coordinated by the Daresbury Laboratory (formally under the auspicies of the UK Science and Engineering Research Council, SERC, and more recently through the Engineering and Physical Sciences Research Council, EPSRC).
This development continues to be carried out by an International Consortium comprising Dr. M.F. Guest (Daresbury Laboratory), Dr J.H. van Lenthe (Utrecht University, Netherlands), Dr. J. Kendrick (ICI plc Ltd, Wilton, UK) and Dr. K. Schoffel (Norsk Hydro, Norway).
The EPSRC has granted the above consortium, through Computing for Science Ltd, an exclusive license to market the code and related products, with a view to generating income to be dedicated to the upkeep, development and maintenance of the software. Dr. Allan J. Beveridge (Daresbury) is employed as the CFS Support Scientist responsible for many of these tasks, and is the established point of contact with the user community:
Allan J. Beveridgeemail: a.j.beveridge@dl.ac.uk
FAX: +44 (0) 1925 603634
voice: +44 (0) 1925 603553
or: +44 (0) 1925 603240