ICODE-ADC/lammps
4
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8545 f3b2605a-c512-4ea7-a41b-209d697bcdaa

Browse Source
This commit is contained in:
sjplimp
2012-08-06 22:51:11 +00:00
parent 671c90bcca
commit a134b94633
2 changed files with 111 additions and 0 deletions
Download Patch File Download Diff File Expand all files Collapse all files

58
doc/compute_erotate_sphere_atom.html Normal file
View File

@ -0,0 +1,58 @@
<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/atom command
</H3>
<P><B>Syntax:</B>
</P>
<PRE>compute ID group-ID erotate/sphere/atom
</PRE>
<UL><LI>ID, group-ID are documented in <A HREF = "compute.html">compute</A> command
<LI>erotate/sphere/atom = style name of this compute command
</UL>
<P><B>Examples:</B>
</P>
<PRE>compute 1 all erotate/sphere/atom
</PRE>
<P><B>Description:</B>
</P>
<P>Define a computation that calculates the rotational kinetic energy for
each particle in a group.
</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>The value of the rotational kinetic energy will be 0.0 for atoms not
in the specified compute group or for point particles with a radius =
0.0.
</P>
<P><B>Output info:</B>
</P>
<P>This compute calculates a per-atom vector, which can be accessed by
any command that uses per-atom values from a compute as input. See
<A HREF = "Section_howto.html#howto_15">Section_howto 15</A> for an overview of
LAMMPS output options.
</P>
<P>The per-atom vector values will be in energy <A HREF = "units.html">units</A>.
</P>
<P><B>Restrictions:</B> none
</P>
<P><B>Related commands:</B>
</P>
<P><A HREF = "dump.html">dump custom</A>
</P>
<P><B>Default:</B> none
</P>
</HTML>

53
doc/compute_erotate_sphere_atom.txt Normal file
View File

@ -0,0 +1,53 @@
"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/atom command :h3
[Syntax:]
compute ID group-ID erotate/sphere/atom :pre
ID, group-ID are documented in "compute"_compute.html command
erotate/sphere/atom = style name of this compute command :ul
[Examples:]
compute 1 all erotate/sphere/atom :pre
[Description:]
Define a computation that calculates the rotational kinetic energy for
each particle in a group.
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.
The value of the rotational kinetic energy will be 0.0 for atoms not
in the specified compute group or for point particles with a radius =
0.0.
[Output info:]
This compute calculates a per-atom vector, which can be accessed by
any command that uses per-atom values from a compute as input. See
"Section_howto 15"_Section_howto.html#howto_15 for an overview of
LAMMPS output options.
The per-atom vector values will be in energy "units"_units.html.
[Restrictions:] none
[Related commands:]
"dump custom"_dump.html
[Default:] none