Journal
JOURNAL OF COMPUTATIONAL PHYSICS
Volume 221, Issue 2, Pages 615-625Publisher
ACADEMIC PRESS INC ELSEVIER SCIENCE
DOI: 10.1016/j.jcp.2006.06.042
Keywords
priority queue; molecular dynamics
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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(l) 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. (c) 2006 Elsevier Inc. All rights reserved.
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