compute_temp_dipole.html
1138cacffd62lammps-icms

compute_temp_dipole.html
View Options

			<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 included 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>Output info:</B>
			</P>
			<P>The scalar value calculated by this compute is "intensive", meaning it
			is independent of the number of atoms in the simulation. The vector
			values are "extensive", meaning they scale with the number of atoms in
			the simulation.
			</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>