Simple and efficent algorithm for large scale molecular dynamics simulation in hard disk systems

Details Simple and efficent algorithm for large scale molecular dynamics simulation in hard disk systems Simple and efficent algorithm for large scale molecular dynamics simulation in hard disk systems

1999-07-17

arxiv.org/abs/physics/9907025v3

Int. J. Mod. Phys. C10, 1281 (1999)

Physics

Computational Physics

13 pages, including 2 figures

Scientific paper

10.1142/S0129183199001042

A simple and efficient algorithm of the molecular-dynamics simulation of the hard disk system based on the Event-Driven method is developed. From the analysis of algorithm, the complexity is O(log N) per 1 event, and the constant coefficient of the complexity is smaller than conventional efficient algorithm based on the concept of Cell-Crossing Event. The maximum performance more than 460 millions of collisions per CPU-hour on the Alpha600 compatible in 2500 particle system is achieved. An extension to the infinite-space system based on this algorithm is also proposed.

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