GAMESS-UK

Overview

GAMESS-UK is a general purpose ab initio molecular electronic structure program for performing SCF- 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, and has been conducted largely at the former EPSRC (Engineering and Physical Sciences Research Council), and now CCLRC Daresbury Laboratory, under the auspices of 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.

GAMESS_UK is available on the Origins.

Restrictions on Use

Please contact the CSAR frontline for access to this software.

Set Up Procedure

Instructions are currently being updated, please contact the CSAR helpdesk if you require any further information in the meantime.

Running the Code

Instructions are currently being updated, please contact the CSAR helpdesk if you require any further information in the meantime.

Further Information

Futher information is available

• On the Gamess-UK web site.