compute_temp_dipole.txt
b704a82dafc5lammm-master

compute_temp_dipole.txt
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			"LAMMPS WWW Site"_lws - "LAMMPS Documentation"_ld - "LAMMPS Commands"_lc :c

			:link(lws,http://lammps.sandia.gov)
			:link(ld,Manual.html)
			:link(lc,Section_commands.html#comm)

			:line

			compute temp/dipole command :h3

			[Syntax:]

			compute ID group-ID temp/dipole :pre

			ID, group-ID are documented in "compute"_compute.html command
			temp/dipole = style name of this compute command :ul

			[Examples:]

			compute 1 all temp/dipole
			compute myTemp mobile temp/dipole :pre

			[Description:]

			Define a computation that calculates the temperature of a group of
			particles that include a point dipole. The computation is similar to
			"compute_temp"_compute_temp.html, 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.

			[Restrictions:]

			Can only be used if LAMMPS was built with the "dipole" package.

			[Related commands:]

			"compute temp"_compute_temp.html

			[Default:] none