A Complexity O(1) Priority Queue for Event Driven Molecular Dynamics Simulations

Abstract

We propose and implement a priority queue suitable for use in event driven molecular dynamics simulations. All operations on the queue take on average O(1) time per collision. In comparison, previously studied queues for event driven molecular dynamics simulations require O(log $N$) time per collision for systems of $N$ particles.Comment: Accepted for publication in Journal of Computational Physic