Page Menu
Home
c4science
Search
Configure Global Search
Log In
Files
F73755550
compute_erotate_asphere.html
No One
Temporary
Actions
Download File
Edit File
Delete File
View Transforms
Subscribe
Mute Notifications
Award Token
Subscribers
None
File Metadata
Details
File Info
Storage
Attached
Created
Wed, Jul 24, 06:23
Size
2 KB
Mime Type
text/html
Expires
Fri, Jul 26, 06:23 (2 d)
Engine
blob
Format
Raw Data
Handle
19262716
Attached To
rLAMMPS lammps
compute_erotate_asphere.html
View Options
<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>
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#4_15"
>
this section
</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 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>
This compute requires that atoms store angular momentum and a
quaternion to represent their orientation, as defined by the
<A
HREF =
"atom_style.html"
>
atom_style
</A>
. It also require they store a per-type
<A
HREF =
"shape.html"
>
shape
</A>
. The particles cannot store a per-particle
diameter or per-particle mass.
</P>
<P>
All particles in the group must be finite-size. They cannot be point
particles, but they can be aspherical or spherical.
</P>
<P><B>
Related commands:
</B>
none
</P>
<P><A
HREF =
"compute_rotate_sphere.html"
>
compute erotate/sphere
</A>
</P>
<P><B>
Default:
</B>
none
</P>
</HTML>
Event Timeline
Log In to Comment