A Complexity O(1) priority queue for event driven molecular dynamics simulations

Authors:
Gerald Paul
Affiliations:
Center for Polymer Studies and Department of Physics, Boston University, 590 Commonwealth Avenue, Boston, MA 02215, USA
Venue:
Journal of Computational Physics
Year:
2007

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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(logN) time per collision for systems of N particles.