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Adding an energy-like conservation law to the leapfrog integrator (1301.1841v1)
Published 9 Jan 2013 in physics.comp-ph, math-ph, and math.MP
Abstract: The leapfrog integrator is widely used because of its excellent stability in molecular dynamics simulation. This is recognized as being due to the existence of a discrete variational structure of the equations. We introduce a modified leapfrog method which includes an additional energy-like conservation law by embedding a molecular dynamics simulation within a larger dynamical system.
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