Efficient parallel implementation of Ewald summation in molecular dynamics simulations on multi-core platforms

DOI10.1016/j.cpc.2011.01.007zbMath1216.82004OpenAlexW2006006248MaRDI QIDQ538595

Chongchong Zhao, Changjun Hu, Ya-Li Liu

Publication date: 25 May 2011

Published in: Computer Physics Communications (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1016/j.cpc.2011.01.007

zbMATH Keywords

Ewald summationlong-range interaction of particlesmulti-core machine

Mathematics Subject Classification ID

Interacting particle systems in time-dependent statistical mechanics (82C22) Numerical summation of series (65B10) Numerical algorithms for specific classes of architectures (65Y10) Software, source code, etc. for problems pertaining to statistical mechanics (82-04)

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