CCP1 Support Activity Daresbury computational chemistry codes workshop Paul Sherwood, Martyn Guest, Bill Smith, and Huub van Dam, CCLRC Daresbury Laboratory Recent developments in the GAMESS-UK electronic structure code Martyn Guest, Huub van Dam, Paul Sherwood, CCLRC Daresbury Laboratory Joop van Lenthe, Utrecht University, The Netherlands 2nd Derivatives of the electronic energy in density functional theory Huub van Dam, CCLRC Daresbury Laboratory The Accuracy of Coulomb Fitting in DFT Calculations Martyn Guest, Paul Sherwood and Huub van Dam, CCLRC Daresbury Laboratory Developments of GAMESS-UK/CHARMM Paul Sherwood, CCLRC Daresbury Laboratory E. Billings and B.R. Brooks, National Institutes of Health, Maryland, USA M. Hodoscek, National Institute of Chemistry, Slovenia Development of the CCP1 GUI Paul Sherwood, Huub van Dam, CCLRC Daresbury Laboratory Chemshell and QUASI P. Sherwood, CCLRC Daresbury Laboratory   Current developments likely to be of interest The Daresbury Laboratory Beowulf Project S.J. Andrews, M.F. Guest and B.G. Searle, CCLRC Daresbury Laboratory Application performance on high-end and commodity-class systems M.F. Guest, CCLRC Daresbury Laboratory

 

design by CCP1, March 2003