An Optimized Algorithm for Molecular Dyn
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E. Glikman; I. Kelson; N.V. Doan; H. Tietze
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Article
📅
1996
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Elsevier Science
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English
⚖ 272 KB
tasks, which results in considerable CPU time savings. This method is based on selectively limiting the calculation of A method of optimizing molecular dynamics calculations is presented. The method employs multiple time steps across the computhe forces and the neighbor list updating, according to t