I am performing simulations where particle rotations are important and would like to visualize particle rotations while post processing.
LIGGGHTS can output the angular velocities (i.e., omegax, omegay, omegaz) easily enough via a dump file. However, I would like to compute the actual angle of rotation from the starting condition. I suppose I just need to perform a time integration and create a new field but thought I'd check if this has already been done.
Has anyone else done this?
Thanks,
-Nuc
Daniel Queteschiner | Mon, 06/15/2015 - 10:43
Particle orientation
You need to use an atom_style like 'ellipsoid' which stores the particles' orientation as a quaternion. Furthermore, your integrator needs to update the orientation (like the fix nve/asphere command).
You may be able to use a hybrid atom style of 'sphere' (or 'granular') and 'ellipsoid' but I haven't really tested this combination.