Neighbour lists
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Neighbour lists are used to speed up both molecular dynamics and Monte Carlo simulations.
Verlet neighbour list
The Verlet neighbour list [1]
Brode-Ahlrichs algorithm
The Brode-Ahlrichs algorithm [2]
Linked cell lists
References
- ↑ Loup Verlet "Computer "Experiments" on Classical Fluids. I. Thermodynamical Properties of Lennard-Jones Molecules", Physical Review 159 pp. 98-103 (1967)
- ↑ Stefan Brode and Reinhart Ahlrichs "An optimized MD program for the vector computer cyber 205", Computer Physics Communications 42 pp. 51-57 (1986)
- ↑ B. Quentrec and C. Brot "New method for searching for neighbors in molecular dynamics computations", Journal of Computational Physics 13 pp. 430-432 (1973)
- ↑ R. W. Hockney, J. W. Eastwood "Computer Simulation Using Particles", Taylor & Francis (1987) § 8-4-2 ISBN 978-0-85274-392-8
External resources
- The Verlet neighbour list sample FORTRAN computer code from the book M. P. Allen and D. J. Tildesley "Computer Simulation of Liquids", Oxford University Press (1989).