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compute_rotate_dipole.html
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rLAMMPS lammps
compute_rotate_dipole.html
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<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 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>
Output info:
</B>
</P>
<P>
The scalar value calculated by this compute is "extensive", meaning it
it scales with the number of atoms in the simulation.
</P>
<P><B>
Restrictions:
</B>
none
</P>
<P><B>
Related commands:
</B>
none
</P>
<P><B>
Default:
</B>
none
</P>
</HTML>
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