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Published in 2021 at "Molecular Simulation"
DOI: 10.1080/08927022.2021.1900572
Abstract: ABSTRACT We describe an algorithm for rotational motion in molecular dynamics simulations. The algorithm requires neither quaternions nor Euler angles and works by updating the local Cartesian axes of the rotating body, the components of…
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Keywords:
motion;
rotational motion;
motion laboratory;
laboratory frame ... See more keywords