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.File in questo prodotto:
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