A Vectorized Algorithm for Molecular Dynamics of Short Range Interacting Particles

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.