Vectorized program of order N for molecular dynamics simulation of condensed matter II. MDSLAB1: Slab, short-range interactions

Published: 1 January 1991| Version 1 | DOI: 10.17632/gmdhw7nnd4.1
Contributors:
Zbigniew A. Rycerz,
Patrick W.M. Jacobs

Description

Abstract A vectorized program of order N for molecular dynamics simulation of condensed matter systems is presented. The program handles short-range interactions and it enables one to simulate efficiently very large systems. The program can be used on any vector computer and on the ETA 10-P supercomputer it calculates the interactions between the particles with a speed of about 50 000 particles/cpu s. Title of program: MDSLAB1 Catalogue Id: ABTQ_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 ABTQ_v1_0; MDSLAB1; 10.1016/0010-4655(91)90127-7 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)

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Categories

Surface Science, Condensed Matter Physics, Computational Physics

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