Page Menu
Home
c4science
Search
Configure Global Search
Log In
Files
F103851993
compute_coord_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
Wed, Mar 5, 02:50
Size
1 KB
Mime Type
text/html
Expires
Fri, Mar 7, 02:50 (1 d, 7 h)
Engine
blob
Format
Raw Data
Handle
24677341
Attached To
rLAMMPS lammps
compute_coord_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 coord/atom command
</H3>
<P><B>Syntax:</B>
</P>
<PRE>compute ID group-ID coord/atom cutoff
</PRE>
<UL><LI>ID, group-ID are documented in <A HREF = "compute.html">compute</A> command
<LI>coord/atom = style name of this compute command
<LI>cutoff = distance within which to count coordination neighbors (distance units)
</UL>
<P><B>Examples:</B>
</P>
<PRE>compute 1 all coord/atom 2.0
</PRE>
<P><B>Description:</B>
</P>
<P>Define a computation that calculates the coordination number for each
atom in a group.
</P>
<P>The coordination number is defined as the number of neighbor atoms
within the specified cutoff distance from the central atom. Atoms not
in the group are included in the coordination number of atoms in the
group.
</P>
<P>The neighbor list needed to compute this quantity is constructed each
time the calculation is performed (i.e. each time a snapshot of atoms
is dumped). Thus it can be inefficient to compute/dump this quantity
too frequently or to have multiple compute/dump commands, each of a
<I>coord/atom</I> style.
</P>
<P><B>Restrictions:</B> none
</P>
<P><B>Related commands:</B> none
</P>
<P><B>Default:</B> none
</P>
</HTML>
Event Timeline
Log In to Comment