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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_0Distribution format: tar.gz | ||

Journal reference: Comput. Phys. Commun. 180(2009)2331 | ||

Programming language: Fortran77 and Fortran90. | ||

Computer: Any. | ||

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. | ||

Solution method: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. | ||

Restrictions:Only three and six significant digits accuracy options are provided in this version. | ||

Unusual features:Most of the codes are written in Fortran77. Functions for memory allocation from Fortran90 and above are used in one subroutine. | ||

Additional comments:For supplementary information see http://www.fastmultipole.org/ | ||

Running time: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. | ||

References: | ||

[1] | 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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