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A Vectorized Algorithm for Molecular Dynamics of Short Range Interacting Particles

V. Buchholtz·T. Pöschel
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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.

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V. Buchholtz, T. Pöschel. 1993-07-19. A Vectorized Algorithm for Molecular Dynamics of Short Range Interacting Particles. https://doi.org/10.1142/s0129183193000811

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