(3021068a) · Commits · 郑智淋 / lammps

doc/Section_commands.html

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		<DIV ALIGN=center><TABLE BORDER=1 >
		<TR ALIGN="center"><TD ><A HREF = "compute_centro_atom.html">centro/atom</A></TD><TD ><A HREF = "compute_coord_atom.html">coord/atom</A></TD><TD ><A HREF = "compute_displace_atom.html">displace/atom</A></TD><TD ><A HREF = "compute_erotate_sphere.html">erotate/sphere</A></TD><TD ><A HREF = "compute_group_group.html">group/group</A></TD><TD ><A HREF = "compute_ke_atom.html">ke/atom</A></TD></TR>
		<TR ALIGN="center"><TD ><A HREF = "compute_pe.html">pe</A></TD><TD ><A HREF = "compute_pe_atom.html">pe/atom</A></TD><TD ><A HREF = "compute_pressure.html">pressure</A></TD><TD ><A HREF = "compute_reduce.html">reduce</A></TD><TD ><A HREF = "compute_stress_atom.html">stress/atom</A></TD><TD ><A HREF = "compute_temp.html">temp</A></TD></TR>
		<TR ALIGN="center"><TD ><A HREF = "compute_temp_asphere.html">temp/asphere</A></TD><TD ><A HREF = "compute_temp_com.html">temp/com</A></TD><TD ><A HREF = "compute_temp_deform.html">temp/deform</A></TD><TD ><A HREF = "compute_temp_dipole.html">temp/dipole</A></TD><TD ><A HREF = "compute_temp_partial.html">temp/partial</A></TD><TD ><A HREF = "compute_temp_ramp.html">temp/ramp</A></TD></TR>
		<TR ALIGN="center"><TD ><A HREF = "compute_temp_region.html">temp/region</A></TD><TD ><A HREF = "compute_temp_sphere.html">temp/sphere</A>
		<TR ALIGN="center"><TD ><A HREF = "compute_temp_asphere.html">temp/asphere</A></TD><TD ><A HREF = "compute_temp_com.html">temp/com</A></TD><TD ><A HREF = "compute_temp_deform.html">temp/deform</A></TD><TD ><A HREF = "compute_temp_partial.html">temp/partial</A></TD><TD ><A HREF = "compute_temp_ramp.html">temp/ramp</A></TD><TD ><A HREF = "compute_temp_region.html">temp/region</A></TD></TR>
		<TR ALIGN="center"><TD ><A HREF = "compute_temp_sphere.html">temp/sphere</A>
		</TD></TR></TABLE></DIV>

		<P>These are compute styles contributed by users, which can be used if

doc/compute_erotate_sphere.html

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		<HR>

		<H3>compute rotate/dipole command
		<H3>compute erotate/sphere command
		</H3>
		<P><B>Syntax:</B>
		</P>
		<PRE>compute ID group-ID rotate/dipole
		<PRE>compute ID group-ID erotate/sphere
		</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
		<LI>erotate/sphere = style name of this compute command
		</UL>
		<P><B>Examples:</B>
		</P>
		<PRE>compute 1 all rotate/dipole
		<PRE>compute 1 all erotate/sphere
		</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>Define a computation that calculates the rotational kinetic energy of
		a group of spherical particles.
		</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>The rotational energy is computed as 1/2 I w^2, where I is the moment
		of inertia for a sphere and w is the particle's angular velocity.
		</P>
		<P>IMPORTANT NOTE: For <A HREF = "dimension.html">2d models</A>, particles are treated
		as spheres, not disks, meaning their moment of inertia will be the
		same as in 3d.
		</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><B>Restrictions:</B>
		</P>
		<P>This compute requires that particles be represented as extended
		spheres and not point particles. This means they will have an angular
		velocity and a diameter which is determined either by the
		<A HREF = "shape.html">shape</A> command or by each particle being assigned an
		individual radius, e.g. for <A HREF = "atom_style.html">atom_style granular</A>.
		</P>
		<P><B>Related commands:</B> none
		</P>

doc/compute_erotate_sphere.txt

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		:line

		compute rotate/dipole command :h3
		compute erotate/sphere command :h3

		[Syntax:]

		compute ID group-ID rotate/dipole :pre
		compute ID group-ID erotate/sphere :pre

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

		[Examples:]

		compute 1 all rotate/dipole :pre
		compute 1 all erotate/sphere :pre

		[Description:]

		Define a computation that calculates the total rotational energy of a
		group of atoms with point dipole moments.
		Define a computation that calculates the rotational kinetic energy of
		a group of spherical particles.

		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.
		The rotational energy is computed as 1/2 I w^2, where I is the moment
		of inertia for a sphere and w is the particle's angular velocity.

		IMPORTANT NOTE: For "2d models"_dimension.html, particles are treated
		as spheres, not disks, meaning their moment of inertia will be the
		same as in 3d.

		[Output info:]

		The scalar value calculated by this compute is "extensive", meaning it
		it scales with the number of atoms in the simulation.

		[Restrictions:] none
		[Restrictions:]

		This compute requires that particles be represented as extended
		spheres and not point particles. This means they will have an angular
		velocity and a diameter which is determined either by the
		"shape"_shape.html command or by each particle being assigned an
		individual radius, e.g. for "atom_style granular"_atom_style.html.

		[Related commands:] none

doc/compute_temp_asphere.html

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		inertia tensor for the aspherical particle and w is its angular
		velocity, which is computed from its angular momentum.
		</P>
		<P>IMPORTANT NOTE: Fo <A HREF = "dimension.html">2d models</A>, particles are treated
		<P>IMPORTANT NOTE: For <A HREF = "dimension.html">2d models</A>, particles are treated
		as ellipsoids, not ellipses, meaning their moments of inertia will be
		the same as in 3d.
		</P>

doc/compute_temp_asphere.txt

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		@@ -50,7 +50,7 @@ The rotational kinetic energy is computed as 1/2 I w^2, where I is the
		inertia tensor for the aspherical particle and w is its angular
		velocity, which is computed from its angular momentum.

		IMPORTANT NOTE: Fo "2d models"_dimension.html, particles are treated
		IMPORTANT NOTE: For "2d models"_dimension.html, particles are treated
		as ellipsoids, not ellipses, meaning their moments of inertia will be
		the same as in 3d.

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