Subject: CCL:all image convention

From: Keith Refson <[email-masked]>
Date: Fri, 30 Oct 1998 15:24:10 +0000 (GMT)

bruno manunza writes:
 > Can anybody give some explanation about the 'all image convention'?
 > It looks like some technique which should be used when the cut-off
 > radius is larger tha the half cell edge. Is it?

I presume you are talking about molecular dynamics simulation in a
periodic cell.  The "all-image" convention is the natural and correct
way of computing interatomic/molecular interactions for an arbitrary
cutoff-radius which may be of any length.  It really only has a name
to contrast with the approximation, the "minimum image convention"
which only works for cutoff radii shorter than half the cell edge.

Keith Refson
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