Page Menu
Home
c4science
Search
Configure Global Search
Log In
Files
F98437354
compute_ke_atom.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
Mon, Jan 13, 04:51
Size
1 KB
Mime Type
text/html
Expires
Wed, Jan 15, 04:51 (1 d, 20 h)
Engine
blob
Format
Raw Data
Handle
23545677
Attached To
rLAMMPS lammps
compute_ke_atom.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 ke/atom command
</H3>
<P><B>
Syntax:
</B>
</P>
<PRE>
compute ID group-ID ke/atom
</PRE>
<UL><LI>
ID, group-ID are documented in
<A
HREF =
"compute.html"
>
compute
</A>
command
<LI>
ke/atom = style name of this compute command
</UL>
<P><B>
Examples:
</B>
</P>
<PRE>
compute 1 all ke/atom
</PRE>
<P><B>
Description:
</B>
</P>
<P>
Define a computation that calculates the per-atom translational
kinetic energy for each atom in a group.
</P>
<P>
The kinetic energy is simply 1/2 m v^2, where m is the mass and v is
the velocity of each atom.
</P>
<P>
The value of the kinetic energy will be 0.0 for atoms not in the
specified compute group.
</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>
Event Timeline
Log In to Comment