A VECTORIZED ALGORITHM FOR MOLECULAR DYNAMICS OF SHORT RANGE INTERACTING PARTICLES

Author:

BUCHHOLTZ VOLKHARD1,PÖSCHEL THORSTEN1

Affiliation:

1. Humboldt-Universität zu Berlin, Institut für Theoretische Physik, Unter den Linden 6, D–10099 Berlin, Germany

Abstract

We report on a lattice based algorithm, completely vectorized for molecular dynamics simulations. Its algorithmic complexity is of the order O(N), where N is the number of particles. The algorithm works very effectively when the particles have short range interaction, but it is applicable to each kind of interaction. The code was tested on a CRAY YMP EL in a simulation of flowing granular material.

Publisher

World Scientific Pub Co Pte Lt

Subject

Computational Theory and Mathematics,Computer Science Applications,General Physics and Astronomy,Mathematical Physics,Statistical and Nonlinear Physics

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