compute_coord_atom.html
b704a82dafc5lammm-devel

compute_coord_atom.html
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			<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. 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>
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