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ICHEC Software

Information about software packages installed on the ICHEC systems.

GAMESS-UK

Versions Installed

Stokes: 7.0 (pending)

Description

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.

All publications resulting from use of this program must include the following acknowledgement:

GAMESS-UK is a package of ab initio programs written by M.F. Guest, J.H. van Lenthe, J. Kendrick, K. Schoffel and P. Sherwood, with contributions from R.D. Amos, R.J. Buenker, M. Dupuis, N.C. Handy, I.H. Hillier, P.J. Knowles, V. Bonacic-Koutecky, W. von Niessen, R.J. Harrison, A.P. Rendell, V.R. Saunders, and A.J. Stone.

License

N/A.

Benchmarks

N/A.

Additional Notes

Further information can be obtained at www.cfs.dl.ac.uk.

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