File: compute_erotate_sphere.html

package info (click to toggle)
lammps 0~20120615.gite442279-1
  • links: PTS, VCS
  • area: main
  • in suites: wheezy
  • size: 128,448 kB
  • sloc: cpp: 321,874; fortran: 15,187; ansic: 11,007; python: 7,889; perl: 2,915; sh: 2,088; makefile: 924; f90: 374; objc: 238; lisp: 169; csh: 16; tcl: 6
file content (62 lines) | stat: -rw-r--r-- 1,930 bytes parent folder | download | duplicates (4)
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
<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>This compute calculates a global scalar (the KE).  This value can be
used by any command that uses a global scalar value 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 scalar value calculated by this compute is "extensive".  The
scalar value will be in energy <A HREF = "units.html">units</A>.
</P>
<P><B>Restrictions:</B>
</P>
<P>This compute requires that atoms store a radius and angular velocity
(omega) as defined by the <A HREF = "atom_style.html">atom_style sphere</A> command.
</P>
<P>All particles in the group must be finite-size spheres or point
particles.  They cannot be aspherical.  Point particles will not
contribute to the rotational energy.
</P>
<P><B>Related commands:</B>
</P>
<P><A HREF = "compute_erotate_asphere.html">compute erotate/asphere</A>
</P>
<P><B>Default:</B> none
</P>
</HTML>