A New Leapfrog Integrator of Rotational Motion. The Revised Angular-Momentum Approach

  title={A New Leapfrog Integrator of Rotational Motion. The Revised Angular-Momentum Approach},
  author={Igor Omelyan},
  journal={Molecular Simulation},
  • I. Omelyan
  • Published 18 January 1999
  • Physics
  • Molecular Simulation
Abstract A new algorithm is introduced to integrate the equations of rotational motion. The algorithm is derived within a leapfrog framework and the quantities involved into the integration are mid-step angular momenta and on-step orientational positions. Contrary to the standard implicit method by Fincham [Mol. Sim., 8, 165 (1992)], the revised angular momentum approach presented corresponds completely to the leapfrog idea on interpolation of dynamical variables without using any… 

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