Structural Biology Software Database
Application Index Record
| Category: Quantum Chemistry Calculation |
| GAMESS-UK (General Atomic and Molecular Electronic Structure System) |
| Last Update: 02-28-2001 |
| Description: 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. The program is derived from the original GAMESS code, obtained from Michel Dupuis in 1981 (then at the National Resource for Computational Chemistry, NRCC), and has been extensively modified and enhanced over the past decade. This work has included contributions from numerous authors (see footnote), and has been conducted largely at the CCLRC Daresbury Laboratory, under the auspices of the UKs Collaborative Computational Project No. 1 (CCP1). Other major sources that have assisted in the on-going development and support of the program include various academic funding agencies in the Netherlands, and ICI plc. |
| Homepage: http://www.dl.ac.uk/CFS/ |
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