compute_erotate_sphere_atom.txt
caf9483a0a7clammps-icms

compute_erotate_sphere_atom.txt
View Options

			.. index:: compute erotate/sphere/atom

			compute erotate/sphere/atom command
			===================================

			Syntax
			""""""

			.. parsed-literal::

			compute ID group-ID erotate/sphere/atom

			* ID, group-ID are documented in :doc:`compute <compute>` command
			* erotate/sphere/atom = style name of this compute command

			Examples
			""""""""

			.. parsed-literal::

			compute 1 all erotate/sphere/atom

			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 :doc:`2d models <dimension>`, 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
			:ref:`Section_howto 15 <howto_15>` for an overview of
			LAMMPS output options.

			The per-atom vector values will be in energy :doc:`units <units>`.

			Restrictions
			""""""""""""
			none

			Related commands
			""""""""""""""""

			:doc:`dump custom <dump>`

			Default: none


			.. _lws: http://lammps.sandia.gov
			.. _ld: Manual.html
			.. _lc: Section_commands.html#comm