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595. MDSP1B: A Molecular Dynamics Algorithm of Order N
by Zbigniew A. Rycerz and Patrick W. M. Jacobs, Centre for Interdisciplinary Studies in Chemical Physics, The University of Western Ontario, London, Ontario, Canada N6A 5B7 This program carries out a molecular dynamics simulation of condensed-matter systems with short-range forces. The basic algorithm is of order N. MDSP1B has been tested for N ranging from 100 to more than 100,000. Speeds of 500 to 700 particles per cpu second have been attained. This system requires small memory which is independent of the choice of the cutoff radius. FORTRAN 77 (CYBER 930-31) Lines of Code: 3027 |