how to dump the quaternion information of ellipsoidal particles

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1

Hi sir
I am using lammps to do some simulation of ellipsoidal particles. The atom style is ellipsoids, the pair_style is gay-berne, I successfully ran my simulation, but there is a little problem that I didn’t find existing quaternion attribute ( like the omega, angmom
) that can be dumped in the dump custom command. Could you please tell me how can I dump out the quaternion information for my particles?
Best regards

2

Hi sir
I am using lammps to do some simulation of ellipsoidal particles. The atom
style is ellipsoids, the pair_style is gay-berne, I successfully ran my
simulation, but there is a little problem that I didn't find existing
quaternion attribute ( like the omega, angmom
) that can be dumped in the dump custom command. Could you please tell me
how can I dump out the quaternion information for my particles?

try using the property/atom compute:
http://lammps.sandia.gov/doc/compute_property_atom.html

axel.