compute_erotate_sphere_atom.txt
39d713b5a307lammm-master

compute_erotate_sphere_atom.txt
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			"LAMMPS WWW Site"_lws - "LAMMPS Documentation"_ld - "LAMMPS Commands"_lc :c

			:link(lws,http://lammps.sandia.gov)
			:link(ld,Manual.html)
			:link(lc,Section_commands.html#comm)

			:line

			compute erotate/sphere/atom command :h3

			[Syntax:]

			compute ID group-ID erotate/sphere/atom :pre

			ID, group-ID are documented in "compute"_compute.html command
			erotate/sphere/atom = style name of this compute command :ul

			[Examples:]

			compute 1 all erotate/sphere/atom :pre

			[Description:]

			Define a computation that calculates the rotational kinetic energy for
			each particle in a group.

			The rotational energy is computed as 1/2 I w^2, where I is the moment
			of inertia for a sphere and w is the particle's angular velocity.

			NOTE: For "2d models"_dimension.html, particles are treated as
			spheres, not disks, meaning their moment of inertia will be the same
			as in 3d.

			The value of the rotational kinetic energy will be 0.0 for atoms not
			in the specified compute group or for point particles with a radius =
			0.0.

			[Output info:]

			This compute calculates a per-atom vector, which can be accessed by
			any command that uses per-atom values from a compute as input. See
			"Section_howto 15"_Section_howto.html#howto_15 for an overview of
			LAMMPS output options.

			The per-atom vector values will be in energy "units"_units.html.

			[Restrictions:] none

			[Related commands:]

			"dump custom"_dump.html

			[Default:] none