compute_etotal_atom.html
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compute_etotal_atom.html
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			<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>
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			<H3>compute etotal/atom command
			</H3>
			<P><B>Syntax:</B>
			</P>
			<PRE>compute ID group-ID etotal/atom compute-ID
			</PRE>
			<UL><LI>ID, group-ID are documented in <A HREF = "compute.html">compute</A> command
			<LI>etotal/atom = style name of this compute command
			<LI>compute-ID = ID of compute that calculates per-atom pairwise energy
			</UL>
			<P><B>Examples:</B>
			</P>
			<PRE>compute 1 all etotal/atom atomEng
			</PRE>
			<P><B>Description:</B>
			</P>
			<P>Define a computation that computes the total energy (kinetic +
			pairwise) for each atom in a group. This can be output via the <A HREF = "dump.html">dump
			custom</A> command.
			</P>
			<P>The kinetic energy for each atom is computed the same way as in the
			<A HREF = "compute_ke_atom.html">compute ke/atom</A> command, namely as 1/2 m v^2.
			</P>
			<P>The pairwise energy is not calculated by this compute, but rather by
			the <A HREF = "compute_epair_atom.html">epair/atom compute</A> specified as the last
			argument of the command.
			</P>
			<P>Note that the total energy per atom as defined here does not include
			contributions due to bonds, angles, etc that the atom is part of.
			</P>
			<P><B>Restrictions:</B> none
			</P>
			<P><B>Related commands:</B>
			</P>
			<P><A HREF = "compute_epair_atom.html">compute epair/atom</A>
			</P>
			<P><B>Default:</B> none
			</P>
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