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Matematicheskoe modelirovanie, 2003, Volume 15, Number 12, Pages 118–128 (Mi mm370)  

This article is cited in 4 scientific papers (total in 4 papers)

SSE-algorithm of molecular dynamics

E. M. Pestryaev

Ufa State University of Oil and Technology
References:
Abstract: C++ program for coprocessor and assembler program for multimedia SSE-registers are described. They calculate distances and forces for simple spherical particles interact according to Lennard-Jones potential in off lattice molecular dynamics with periodic boundary conditions. The assembler program quickens up integration of motion equations more then twice relative tp the same algorithm executing by coprocessor under equal terms. The assembler program permits to vary parameters of Lennard-Jones potential, including mixture simulation of spherical particles of different size and various interaction energies. Besides it is needless particles number would be multiple of four. The structured algorithm permits to use another type of short range potential by remaking of one block only. The algorithm also operates with chain molecules which lengths are less then simulating system size.
Received: 20.01.2003
Bibliographic databases:
Language: Russian
Citation: E. M. Pestryaev, “SSE-algorithm of molecular dynamics”, Matem. Mod., 15:12 (2003), 118–128
Citation in format AMSBIB
\Bibitem{Pes03}
\by E.~M.~Pestryaev
\paper SSE-algorithm of molecular dynamics
\jour Matem. Mod.
\yr 2003
\vol 15
\issue 12
\pages 118--128
\mathnet{http://mi.mathnet.ru/mm370}
\zmath{https://zbmath.org/?q=an:1053.68125}
Linking options:
  • https://www.mathnet.ru/eng/mm370
  • https://www.mathnet.ru/eng/mm/v15/i12/p118
  • This publication is cited in the following 4 articles:
    Citing articles in Google Scholar: Russian citations, English citations
    Related articles in Google Scholar: Russian articles, English articles
    Математическое моделирование
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    References:54
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