RATTLE: A velocity version of the SHAKE algorithm for molecular dynamics calculations
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Publication:1050745
DOI10.1016/0021-9991(83)90014-1zbMath0513.65052OpenAlexW1977482735WikidataQ29038325 ScholiaQ29038325MaRDI QIDQ1050745
Publication date: 1983
Published in: Journal of Computational Physics (Search for Journal in Brave)
Full work available at URL: https://doi.org/10.1016/0021-9991(83)90014-1
Numerical methods for initial value problems involving ordinary differential equations (65L05) Molecular physics (81V55) (n)-body problems (70F10) Collision of rigid or pseudo-rigid bodies (70F35)
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