Programs in Physics & Physical Chemistry
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|Manuscript Title: FMM-Yukawa: An Adaptive Fast Multipole Method for Screened Coulomb Interactions|
|Authors: Jingfang Huang, Jun Jia, Bo Zhang|
|Program title: FMM-Yukawa|
|Catalogue identifier: AEEQ_v1_0|
Distribution format: tar.gz
|Journal reference: Comput. Phys. Commun. 180(2009)2331|
|Programming language: Fortran77 and Fortran90.|
|Operating system: Any.|
|RAM: Depends on the number of particles, their distribution, and the adaptive tree structure.|
|Keywords: Fast Multipole Method, Screened Coulomb Potential, Yukawa Potential, Diagonal Translation, Exponential Sums.|
|PACS: 02.30.Em, 02.30.Rz, 02.60.Dc, 24.10.Cn.|
|Classification: 4.8, 4.12.|
Nature of problem:
To evaluate the screened Coulomb potential and force field of N charged particles, and to evaluate a convolution type integral where the Green's function is the fundamental solution of the modified Helmholtz equation.
An adaptive oct-tree is generated, and a new version of fast multipole method is applied in which the "multipole-to-local" translation operator is diagonalized.
Only three and six significant digits accuracy options are provided in this version.
Most of the codes are written in Fortran77. Functions for memory allocation from Fortran90 and above are used in one subroutine.
For supplementary information see http://www.fastmultipole.org/
The running time varies depending on the number of particles (denoted by N) in the system and their distribution. The running time scales linearly as a function of N for nearly uniform particle distributions. For three digits accuracy, the solver breaks even with direct summation method at about N = 750.
|||L. Greengard and J. Huang, "A New Version of the Fast Multipole Method for Screened Coulomb Interactions in Three Dimensions", J. Comput. Phys. 180, 642-658 (2002)|
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