compute_event_displace.html
d87f27da3c1flammm-master-deprecated

compute_event_displace.html
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			<H3>compute event/displace command
			</H3>
			<P><B>Syntax:</B>
			</P>
			<PRE>compute ID group-ID event/displace threshold
			</PRE>
			<UL><LI>ID, group-ID are documented in <A HREF = "compute.html">compute</A> command
			<LI>event/displace = style name of this compute command
			<LI>threshold = minimum distance anyparticle must move to trigger an event (distance units)
			</UL>
			<P><B>Examples:</B>
			</P>
			<PRE>compute 1 all event/displace 0.5
			</PRE>
			<P><B>Description:</B>
			</P>
			<P>Define a computation that flags an "event" if any particle in the
			group has moved a distance greater than the specified threshold
			distance when compared to a previously stored reference state
			(i.e. the previous event). This compute is typically used in
			conjunction with the <A HREF = "prd.html">prd</A> command, to detect if a transition
			to a new minimum energy basin has occurred.
			</P>
			<P>This value calculated by the compute is equal to 0 if no particle has
			moved far enough, and equal to 1 if one or more particles have moved
			further than the threshold distance.
			</P>
			<P><B>Output info:</B>
			</P>
			<P>The scalar value calculated by this compute is "intensive", meaning it
			is independent of the number of atoms in the simulation.
			</P>
			<P><B>Restrictions:</B> none
			</P>
			<P><B>Related commands:</B>
			</P>
			<P><A HREF = "prd.html">prd</A>
			</P>
			<P><B>Default:</B> none
			</P>
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