Abstract
Molecular dynamics simulation studies of hard sphere and related many-body systems tend to be heavy consumers of computer time. In order to perform event-driven simulations of this kind in an efficient manner both the organization of the event list data structure and the procedures for modifying its contents must be carefully designed. A highly efficient event list structure based on the binary tree is proposed, and the algorithms for performing the event scheduling and related operations are described. Numerical analysis of the performance of these algorithms reveals that they behave as if the event list were constructed from randomly occurring events. Other considerations involved in improving the simulation performance are discussed.
Original language | English |
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Pages (from-to) | 184-201 |
Number of pages | 18 |
Journal | Journal of Computational Physics |
Volume | 34 |
Issue number | 2 |
DOIs | |
State | Published - Feb 1980 |