Direct application of SHAKE to the velocity Verlet algorithm

DOI10.1006/jcph.1993.1045zbMath0774.65045OpenAlexW2114880455MaRDI QIDQ1209875

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 dynamicsSHAKEVerlet algorithmRATTLE

Mathematics Subject Classification ID

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

Related Items (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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