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compute_temp_dipole.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 temp/dipole command
</H3>
<P><B>Syntax:</B>
</P>
<PRE>compute ID group-ID temp/dipole
</PRE>
<UL><LI>ID, group-ID are documented in <A HREF = "compute.html">compute</A> command
<LI>temp/dipole = style name of this compute command
</UL>
<P><B>Examples:</B>
</P>
<PRE>compute 1 all temp/dipole
compute myTemp mobile temp/dipole
</PRE>
<P><B>Description:</B>
</P>
<P>Define a computation that calculates the temperature of a group of
particles that include a point dipole. The computation is similar to
<A HREF = "compute_temp.html">compute_temp</A>, however, additional degrees of
freedom are inlclude to account for the rotational state of the
particles. The associated kinetic energy includes a rotational term
KE_rotational = 1/2 I w^2, where I is the moment of inertia and w is
the angular velocity.
</P>
<P><B>Restrictions:</B>
</P>
<P>Can only be used if LAMMPS was built with the "dipole" package.
</P>
<P><B>Related commands:</B>
</P>
<P><A HREF = "compute_temp.html">compute temp</A>
</P>
<P><B>Default:</B> none
</P>
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