P-SHAKE: a quadratically convergent SHAKE in \(O(n^2)\)
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Publication:868237
DOI10.1016/J.JCP.2006.05.032zbMath1111.82002DBLPjournals/jcphy/Gonnet07OpenAlexW1558157095WikidataQ59567739 ScholiaQ59567739MaRDI QIDQ868237
Publication date: 19 February 2007
Published in: Journal of Computational Physics (Search for Journal in Brave)
Full work available at URL: https://doi.org/10.1016/j.jcp.2006.05.032
Lagrange multiplierspreconditioningNewton iterationsimulationsmolecular dynamicsconstraintsSHAKEM-SHAKE
Related Items (3)
-SHAKE: an extension to SHAKE for the explicit treatment of angular constraints ⋮ A technique for calculating particle systems containing rigid and soft parts ⋮ Efficient constraint dynamics using MILC SHAKE
Uses Software
Cites Work
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- RATTLE: A velocity version of the SHAKE algorithm for molecular dynamics calculations
- A modified shake algorithm for maintaining rigid bonds in molecular dynamics simulations of large molecules
- WIGGLE: a new constrained molecular dynamics algorithm in Cartesian coordinates
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