Translational/Rotational Energy of Molecules
I am creating rigid bodies from groups of spheres using, for example,
fix 1 all rigid molecule
From doing some simple tests with two spheres setup as a diatomic molecule, it appears that LIGGGHTS will always output the total energy - translational + rotational - for ke. I want to separate this energy into rotational and translational pieces in the thermo output. LAMMPS seems to have had ways to do this with compute temp, but that does not appear to be a thing in LIGGGHTS. I tried using erotate, but that does not seem to correlate with what I need at all.
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