compute_ke_atom.html
3de59dbf5839lammm-devel

compute_ke_atom.html
View Options

			<HTML>
			<CENTER><A HREF = "http://lammps.sandia.gov">LAMMPS WWW Site</A> - <A HREF = "Manual.html">LAMMPS Documentation</A> - <A HREF = "Section_commands.html#comm">LAMMPS Commands</A>
			</CENTER>






			<HR>

			<H3>compute ke/atom command
			</H3>
			<P><B>Syntax:</B>
			</P>
			<PRE>compute ID group-ID ke/atom
			</PRE>
			<UL><LI>ID, group-ID are documented in <A HREF = "compute.html">compute</A> command
			<LI>ke/atom = style name of this compute command
			</UL>
			<P><B>Examples:</B>
			</P>
			<PRE>compute 1 all ke/atom
			</PRE>
			<P><B>Description:</B>
			</P>
			<P>Define a computation that calculates the per-atom translational
			kinetic energy for each atom in a group.
			</P>
			<P>The kinetic energy is simply 1/2 m v^2, where m is the mass and v is
			the velocity of each atom.
			</P>
			<P>The value of the kinetic energy will be 0.0 for atoms not in the
			specified compute group.
			</P>
			<P><B>Output info:</B>
			</P>
			<P>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
			<A HREF = "Section_howto.html#howto_15">Section_howto 15</A> for an overview of
			LAMMPS output options.
			</P>
			<P>The per-atom vector values will be in energy <A HREF = "units.html">units</A>.
			</P>
			<P><B>Restrictions:</B> none
			</P>
			<P><B>Related commands:</B>
			</P>
			<P><A HREF = "dump.html">dump custom</A>
			</P>
			<P><B>Default:</B> none
			</P>
			</HTML>