(987b073c) · Commits · 郑智淋 / lammps

doc/Section_commands.txt

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		@@ -453,7 +453,6 @@ description:
		"temp/asphere"_compute_temp_asphere.html,
		"temp/com"_compute_temp_com.html,
		"temp/deform"_compute_temp_deform.html,
		"temp/dipole"_compute_temp_dipole.html,
		"temp/partial"_compute_temp_partial.html,
		"temp/ramp"_compute_temp_ramp.html,
		"temp/region"_compute_temp_region.html,

doc/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 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>

doc/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 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.

		[Output info:]

		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.

		[Restrictions:]

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

		[Related commands:]

		"compute temp"_compute_temp.html

		[Default:] none

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