Molecular dynamics simulation program of order N for condensed matter I. MDPYRS1: scalar pyramid, short-range interactions

Published: 1 January 1990| Version 1 | DOI: 10.17632/w4p3h6kvyx.1
Zbigniew A. Rycerz, Patrick W.M. Jacobs


Abstract A program for molecular dynamics simulation in which the cpu time proportionally to the number of particles N is presented. The program enables one to stimulate efficiently very large condensed-matter systems involving short-range interactions (e.g. simple liquids with pairwise-additive forces). The program is optimized for serial computers and it does not involve any neighbour lists, so it requires relatively small computer memory. Title of program: MDPYRS1 Catalogue Id: ABRW_v1_0 Nature of problem Study of the thermodynamic, structural and dynamic properties of liquids or solids. Versions of this program held in the CPC repository in Mendeley Data ABRW_v1_0; MDPYRS1; 10.1016/0010-4655(90)90079-G This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)



Surface Science, Condensed Matter Physics, Computational Physics