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A Vectorized Near-Neighbors Algorithm of Order N for Molecular Dynamics Simulations

✍ Scribed by S. G. LAMBRAKOS; J. P. BORIS; I. CHANDRASEKHAR; B. GABER

Book ID: 118723389
Publisher: John Wiley and Sons
Year: 1986
Tongue: English
Weight: 137 KB
Volume: 482
Category: Article
ISSN: 0890-6564
DOI: 10.1111/j.1749-6632.1986.tb20940.x

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## Abstract A detailed description of vector/parallel algorithms for the molecular dynamics (MD) simulation of macromolecular systems on multiple processor, shared‐memory computers is presented. The algorithms encompass three computationally intensive portions of typical MD programs: (__1__) the ev