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compute_rotate_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 rotate/dipole command
</H3>
<P><B>Syntax:</B>
</P>
<PRE>compute ID group-ID rotate/dipole
</PRE>
<UL><LI>ID, group-ID are documented in <A HREF = "compute.html">compute</A> command
<LI>rotate/dipole = style name of this compute command
</UL>
<P><B>Examples:</B>
</P>
<PRE>compute 1 all rotate/dipole
</PRE>
<P><B>Description:</B>
</P>
<P>Define a computation that calculates the total rotational energy of a
group of atoms with point dipole moments.
</P>
<P>The rotational energy is calculated as the sum of 1/2 I w^2 over all
the atoms in the group, where I is the moment of inertia of a
disk/spherical (2d/3d) particle, and w is its angular velocity.
</P>
<P><B>Restrictions:</B> none
</P>
<P><B>Related commands:</B> none
</P>
<P><B>Default:</B> none
</P>
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