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compute_temp_dipole.html
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Fri, Nov 15, 04:52
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rLAMMPS lammps
compute_temp_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 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>
</HTML>
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