Neighbour lists: Difference between revisions
Jump to navigation
Jump to search
Carl McBride (talk | contribs) (New page: {{Stub-general}} '''Neighbour lists''' are used to speed up both molecular dynamics and Monte Carlo simulations. ==Verlet neighbour list== The Verlet neighbour list <ref>[http://dx...) |
(No difference)
|
Revision as of 14:13, 27 July 2010
|
This article is a 'stub' page, it has no, or next to no, content. It is here at the moment to help form part of the structure of SklogWiki. If you add sufficient material to this article then please remove the {{Stub-general}} template from this page. |
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).