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<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
</UL>
<P>cutoff = distance within which to count coordination neighbors (distance units)
</P>
<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. This can be output via the <A HREF = "dump.html">dump custom</A>
command.
</P>
<P>The coordination number is defined as the number of neighbor atoms
within the specified cutoff distance from the central atom.
</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>

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"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 coord/atom command :h3
[Syntax:]
compute ID group-ID coord/atom cutoff :pre
ID, group-ID are documented in "compute"_compute.html command
coord/atom = style name of this compute command :ul
cutoff = distance within which to count coordination neighbors (distance units)
[Examples:]
compute 1 all coord/atom 2.0 :pre
[Description:]
Define a computation that calculates the coordination number for each
atom in a group. This can be output via the "dump custom"_dump.html
command.
The coordination number is defined as the number of neighbor atoms
within the specified cutoff distance from the central atom.
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
{coord/atom} style.
[Restrictions:] none
[Related commands:] none
[Default:] none