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A Vectorized Algorithm For Molecular Dynamics Of Short Range Interacting Particles

Author

Listed:
  • VOLKHARD BUCHHOLTZ

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

  • THORSTEN PÖSCHEL

    (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 orderO(N), whereNis 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.

Suggested Citation

  • Volkhard Buchholtz & Thorsten Pöschel, 1993. "A Vectorized Algorithm For Molecular Dynamics Of Short Range Interacting Particles," International Journal of Modern Physics C (IJMPC), World Scientific Publishing Co. Pte. Ltd., vol. 4(05), pages 1049-1057.
    • Handle: RePEc:wsi:ijmpcx:v:04:y:1993:i:05:n:s0129183193000811
    DOI: 10.1142/S0129183193000811
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