compute_ke_atom.txt
65bcbb90734blammm-master

compute_ke_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 ke/atom command :h3

			[Syntax:]

			compute ID group-ID ke/atom :pre

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

			[Examples:]

			compute 1 all ke/atom :pre

			[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
			"this section"_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