(23196923) · Commits · 郑智淋 / lammps

doc/Section_commands.html

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		@@ -334,10 +334,10 @@ descriptions of each style or click on the style itself for a full
		description:
		</P>
		<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.html">ke</A></TD></TR>
		<TR ALIGN="center"><TD ><A HREF = "compute_ke_atom.html">ke/atom</A></TD><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></TR>
		<TR ALIGN="center"><TD ><A HREF = "compute_temp.html">temp</A></TD><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></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_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_asphere.html">erotate/asphere</A></TD><TD ><A HREF = "compute_erotate_sphere.html">erotate/sphere</A></TD><TD ><A HREF = "compute_group_group.html">group/group</A></TD></TR>
		<TR ALIGN="center"><TD ><A HREF = "compute_ke.html">ke</A></TD><TD ><A HREF = "compute_ke_atom.html">ke/atom</A></TD><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></TR>
		<TR ALIGN="center"><TD ><A HREF = "compute_stress_atom.html">stress/atom</A></TD><TD ><A HREF = "compute_temp.html">temp</A></TD><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></TR>
		<TR ALIGN="center"><TD ><A HREF = "compute_temp_ramp.html">temp/ramp</A></TD><TD ><A HREF = "compute_temp_region.html">temp/region</A></TD><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/Section_commands.txt

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		"centro/atom"_compute_centro_atom.html,
		"coord/atom"_compute_coord_atom.html,
		"displace/atom"_compute_displace_atom.html,
		"erotate/asphere"_compute_erotate_asphere.html,
		"erotate/sphere"_compute_erotate_sphere.html,
		"group/group"_compute_group_group.html,
		"ke"_compute_ke.html,

doc/compute.html

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		@@ -112,6 +112,7 @@ available in LAMMPS:
		<UL><LI><A HREF = "compute_centro_atom.html">centro/atom</A> - centro-symmetry parameter for each atom
		<LI><A HREF = "compute_coord_atom.html">coord/atom</A> - coordination number for each atom
		<LI><A HREF = "compute_displace_atom.html">displace/atom</A> - displacement of each atom
		<LI><A HREF = "compute_erotate_asphere.html">erotate/asphere</A> - rotational energy of aspherical particles
		<LI><A HREF = "compute_erotate_sphere.html">erotate/sphere</A> - rotational energy of spherical particles
		<LI><A HREF = "compute_group_group.html">group/group</A> - energy/force between two groups of atoms
		<LI><A HREF = "compute_ke.html">ke</A> - translational kinetic energy

doc/compute.txt

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		@@ -109,6 +109,7 @@ available in LAMMPS:
		"centro/atom"_compute_centro_atom.html - centro-symmetry parameter for each atom
		"coord/atom"_compute_coord_atom.html - coordination number for each atom
		"displace/atom"_compute_displace_atom.html - displacement of each atom
		"erotate/asphere"_compute_erotate_asphere.html - rotational energy of aspherical particles
		"erotate/sphere"_compute_erotate_sphere.html - rotational energy of spherical particles
		"group/group"_compute_group_group.html - energy/force between two groups of atoms
		"ke"_compute_ke.html - translational kinetic energy

doc/compute_erotate_asphere.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 erotate/asphere command
		</H3>
		<P><B>Syntax:</B>
		</P>
		<PRE>compute ID group-ID erotate/asphere
		</PRE>
		<UL><LI>ID, group-ID are documented in <A HREF = "compute.html">compute</A> command
		<LI>erotate/asphere = style name of this compute command
		</UL>
		<P><B>Examples:</B>
		</P>
		<PRE>compute 1 all erotate/asphere
		</PRE>
		<P><B>Description:</B>
		</P>
		<P>Define a computation that calculates the rotational kinetic energy of
		a group of aspherical particles.
		</P>
		<P>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.
		</P>
		<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>
		<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>
		</P>
		<P>This compute requires that particles be represented as extended
		ellipsoids and not point particles. This means they will have an
		angular momentum and a shape which is determined by the
		<A HREF = "shape.html">shape</A> command.
		</P>
		<P><B>Related commands:</B> none
		</P>
		<P><B>Default:</B> none
		</P>
		</HTML>

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