A generalized non-iterative matrix method for constraint molecular dynamics simulations

DOI10.1006/JCPH.2001.6819zbMath0989.81147OpenAlexW1996528487MaRDI QIDQ5951843

Makoto Yoneya

Publication date: 25 April 2002

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

Full work available at URL: https://doi.org/10.1006/jcph.2001.6819

zbMATH Keywords

Verlet methodbond lengthSHAKE

Mathematics Subject Classification ID

Computational methods for problems pertaining to quantum theory (81-08) Simulation of dynamical systems (37M05) Molecular physics (81V55)

Uses Software

• LINCS

Cites Work

• Unnamed Item
• Symplectic numerical integrators in constrained Hamiltonian systems
• Explicit Canonical Methods for Hamiltonian Systems
• Non-Iterative Constraint Dynamics Using Velocity-Explicit Verlet Methods

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