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Bit-Reversible Version of Milne’s Fourth-Order Time-Reversible Integrator for Molecular Dynamics
We point out that two of Milne’s fourth-order integrators are well-suited to bit-reversible simulations. The fourth-order method improves on the accuracy of Levesque and Verlet’s algorithm and simplifies the definition of the velocity v and energy e = (q2 + v2 )/2. (We use this one-dimensiona ...