Direct application of SHAKE to the velocity Verlet algorithm

DOI10.1006/JCPH.1993.1045MaRDI QIDQ1209875zbMATH OpenOpenAlexFDO

Authors Bruce J. Palmer

Publication date 16 May 1993

Published in Journal of Computational Physics (Search for Journal in Brave)

Full work available at URL https://doi.org/10.1006/jcph.1993.1045

zbMATH Keywords

molecular dynamicsVerlet algorithmRATTLESHAKE

Mathematics Subject Classification ID

Nonlinear ordinary differential equations and systems (34A34) Molecular physics (81V55) Numerical methods for initial value problems involving ordinary differential equations (65L05)

Cited in

(2)

• A critical review on molecular dynamics applied to structure fracture and failure analysis
• Non-Iterative Constraint Dynamics Using Velocity-Explicit Verlet Methods

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