Molecular dynamics simulation program of order N for condensed-matter systems II. MDSPNL: pyramid with neighbour list, short-range interactions

2019-12-06T07:30:22Z (GMT) by Zbigniew A. Rycerz
Abstract A program of order N for molecular dynamics simulation is presented. The program enables one to simulate 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 on the Cyber 962-11 it attains a speed of more than 5000 particles/cpu s. Title of program: MDSPNL Catalogue Id: ABZC_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 ABZC_v1_0; MDSPNL; 10.1016/0010-4655(90)90050-B This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)