Parallel molecular dynamics using OPENMP on a shared memory machine

DOI10.1016/S0010-4655(99)00432-4MaRDI QIDQ1971552zbMATH OpenOpenAlexWikidataFDO

Authors Raphaël Couturier, Christophe Chipot

Publication date 11 November 2001

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

Full work available at URL https://doi.org/10.1016/s0010-4655(99)00432-4

zbMATH Keywords

molecular dynamics computationsparallelizationshared memory machine

Mathematics Subject Classification ID

Parallel numerical computation (65Y05) Modes of computation (nondeterministic, parallel, interactive, probabilistic, etc.) (68Q10) Computational methods for problems pertaining to quantum theory (81-08) Molecular physics (81V55)

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