EWALD POTENTIALS EVALUATED THROUGH LOOK-UP TABLES

Authors
DANESE G DELOTTO I DOTTI D LEPORATI F
Citation
G. Danese et al., EWALD POTENTIALS EVALUATED THROUGH LOOK-UP TABLES, Computer physics communications, 108(2-3), 1998, pp. 211-217
Citations number
8
Categorie Soggetti
Computer Science Interdisciplinary Applications","Physycs, Mathematical","Physycs, Mathematical","Computer Science Interdisciplinary Applications
Journal title
Computer physics communications → ACNP
ISSN journal
00104655
Volume
108
Issue
2-3
Year of publication
1998
Pages
211 - 217
Database
ISI
SICI code
0010-4655(1998)108:2-3<211:EPETLT>2.0.ZU;2-U
Abstract
In this paper we present a computational method to calculate the poten tial of long-range interactions between particles which allows conside rable saving in computing time. The method is based on the tabulation of the potential due to particles located on a sufficiently accurate 3 D grid. The actual potential is evaluated by a three-linear interpolat ion of the tabulated values. The validity of the method is proved thro ugh a Monte Carlo-Metropolis simulation of ionic fluids. Finally, the speed-up achieved executing the method on different workstations is sh own. (C) 1998 Published by Elsevier Science B.V.