compute_ke_atom.txt
874bd68cd12flammm-devel

compute_ke_atom.txt
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			.. index:: compute ke/atom

			compute ke/atom command
			=======================

			Syntax
			""""""

			.. parsed-literal::

			compute ID group-ID ke/atom

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

			Examples
			""""""""

			.. parsed-literal::

			compute 1 all ke/atom

			Description
			"""""""""""

			Define a computation that calculates the per-atom translational
			kinetic energy for each atom in a group.

			The kinetic energy is simply 1/2 m v^2, where m is the mass and v is
			the velocity of each atom.

			The value of the kinetic energy will be 0.0 for atoms not in the
			specified compute group.

			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