Geometric generalisations of SHAKE and RATTLE

DOI10.1007/s10208-013-9163-yzbMath1347.37131arXiv1207.3367OpenAlexW2111027538MaRDI QIDQ404281

Klas Modin, Olivier Verdier, Robert I. Mclachlan, Matthew C. Wilkins

Publication date: 4 September 2014

Published in: Foundations of Computational Mathematics (Search for Journal in Brave)

Full work available at URL: https://arxiv.org/abs/1207.3367

zbMATH Keywords

symplectic integratorsconstrained Hamiltonian systemscoisotropic submanifolds

Mathematics Subject Classification ID

Constrained dynamics, Dirac's theory of constraints (70H45) Numerical methods for differential-algebraic equations (65L80) Numerical methods for Hamiltonian systems including symplectic integrators (65P10) Discretization methods and integrators (symplectic, variational, geometric, etc.) for dynamical systems (37M15)

Related Items (11)

Geometry of discrete-time spin systems ⋮ Construction and analysis of higher order variational integrators for dynamical systems with holonomic constraints ⋮ A numerical damped oscillator approach to constrained Schrödinger equations ⋮ Retraction maps: a seed of geometric integrators ⋮ Lie-Poisson methods for isospectral flows ⋮ Staying the course: iteratively locating equilibria of dynamical systems on Riemannian manifolds defined by point-clouds ⋮ A minimal-variable symplectic integrator on spheres ⋮ Projected exponential Runge-Kutta methods for preserving dissipative properties of perturbed constrained Hamiltonian systems ⋮ MultiSymplectic Discretization of Wave Map Equations ⋮ Variational discretizations of gauge field theories using group-equivariant interpolation ⋮ Dynamical representations of constrained multicomponent nonlinear Schrödinger equations in arbitrary dimensions

Cites Work

• Unnamed Item
• Unnamed Item
• Unnamed Item
• RATTLE: A velocity version of the SHAKE algorithm for molecular dynamics calculations
• Symplectic numerical integrators in constrained Hamiltonian systems
• Lie-Poisson Hamilton-Jacobi theory and Lie-Poisson integrators
• Symplectic Integrators for Index 1 Constraints
• Solving Ordinary Differential Equations I
• Simulating Hamiltonian Dynamics
• Presymplectic manifolds and the Dirac–Bergmann theory of constraints
• On Coisotropic Imbeddings of Presymplectic Manifolds
• Symplectic Partitioned Runge–Kutta Methods for Constrained Hamiltonian Systems
• Symplectic Integration of Constrained Hamiltonian Systems by Composition Methods
• Geometric Numerical Integration

This page was built for publication: Geometric generalisations of SHAKE and RATTLE