In this paper we present a computational method, to calculate the potential of long-range interactions between particles which allows considerable saving in computing time. The method is based on the tabulation of the potential due to particles located, on a sufficiently accurate 3D grid. The actual potential is evaluated by a three-linear interpolation of the tabulated values. The validity of the method is proved through a Monte Carlo-Metropolis simulation of ionic fluids. Finally, the speed-up achieved executing the method on different workstations is shown.

Ewald potentials evaluated through look-up tables

DANESE, GIOVANNI;DE LOTTO, IVO;DOTTI, DOMENICO;LEPORATI, FRANCESCO
1998-01-01

Abstract

In this paper we present a computational method, to calculate the potential of long-range interactions between particles which allows considerable saving in computing time. The method is based on the tabulation of the potential due to particles located, on a sufficiently accurate 3D grid. The actual potential is evaluated by a three-linear interpolation of the tabulated values. The validity of the method is proved through a Monte Carlo-Metropolis simulation of ionic fluids. Finally, the speed-up achieved executing the method on different workstations is shown.
1998
Computer Science & Engineering includes resources on computer hardware and architecture, computer software, software engineering and design, computer graphics, programming languages, theoretical computing, computing methodologies, broad computing topics, and interdisciplinary computer applications.
Sì, ma tipo non specificato
Inglese
Internazionale
STAMPA
108
2-3This pa
211
217
The paper was cited 5 times in other publications.
Physics simulations; Long range particles interactions; Look up tables for energy interpolation
4
info:eu-repo/semantics/article
262
Danese, Giovanni; DE LOTTO, Ivo; Dotti, Domenico; Leporati, Francesco
1 Contributo su Rivista::1.1 Articolo in rivista
none
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11571/131779
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