git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1638 f3b2605a-c512-4ea7-a41b-209d697bcdaa

doc/Section_commands.html

@@ -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_atom.html">ke/atom</A></TD></TR>
+<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_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_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_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.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_sphere.html">temp/sphere</A> 
+<TR ALIGN="center"><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

@@ -444,6 +444,7 @@ description:
 "displace/atom"_compute_displace_atom.html,
 "erotate/sphere"_compute_erotate_sphere.html,
 "group/group"_compute_group_group.html,
+"ke"_compute_ke.html,
 "ke/atom"_compute_ke_atom.html,
 "pe"_compute_pe.html,
 "pe/atom"_compute_pe_atom.html,

doc/compute.html

@@ -114,6 +114,7 @@ available in LAMMPS:
 <LI><A HREF = "compute_displace_atom.html">displace/atom</A> - displacement of each atom
 <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
 <LI><A HREF = "compute_ke_atom.html">ke/atom</A> - kinetic energy for each atom
 <LI><A HREF = "compute_pe.html">pe</A> - potential energy
 <LI><A HREF = "compute_pe_atom.html">pe/atom</A> - potential energy for each atom

doc/compute.txt

@@ -111,6 +111,7 @@ available in LAMMPS:
 "displace/atom"_compute_displace_atom.html - displacement of each atom
 "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
 "ke/atom"_compute_ke_atom.html - kinetic energy for each atom
 "pe"_compute_pe.html - potential energy
 "pe/atom"_compute_pe_atom.html - potential energy for each atom

doc/compute_ke.html

@@ -0,0 +1,54 @@
+<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/sphere command 
+</H3>
+<P><B>Syntax:</B>
+</P>
+<PRE>compute ID group-ID erotate/sphere 
+</PRE>
+<UL><LI>ID, group-ID are documented in <A HREF = "compute.html">compute</A> command
+<LI>erotate/sphere = style name of this compute command 
+</UL>
+<P><B>Examples:</B>
+</P>
+<PRE>compute 1 all erotate/sphere 
+</PRE>
+<P><B>Description:</B>
+</P>
+<P>Define a computation that calculates the rotational kinetic energy of
+a group of spherical particles.
+</P>
+<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>
+</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>
+<P><B>Default:</B> none
+</P>
+</HTML>

doc/compute_ke.txt

@@ -0,0 +1,49 @@
+"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 erotate/sphere command :h3
+
+[Syntax:]
+
+compute ID group-ID erotate/sphere :pre
+
+ID, group-ID are documented in "compute"_compute.html command
+erotate/sphere = style name of this compute command :ul
+
+[Examples:]
+
+compute 1 all erotate/sphere :pre
+
+[Description:]
+
+Define a computation that calculates the rotational kinetic energy of
+a group of spherical particles.
+
+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:]
+
+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
+
+[Default:] none