On converting any one-step method to a variational integrator of the same order

Mathematics – Numerical Analysis

Scientific paper

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Scientific paper

In the formalism of constrained mechanics, such as that which underlies the SHAKE and RATTLE methods of molecular dynamics, we present an algorithm to convert any one-step integration method to a variational integrator of the same order. The one-step method is arbitrary, and the conversion can be automated, resulting in a powerful and flexible approach to the generation of novel variational integrators with arbitrary order.

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