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Re: [ESPResSo-devel] Nsquare cellsystem and folded positions


From: Olaf Lenz
Subject: Re: [ESPResSo-devel] Nsquare cellsystem and folded positions
Date: Mon, 13 Aug 2007 15:23:10 +0200
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Hi!

Axel Arnold wrote:
> just to make that clear: in fact, the name "folded position" is misleading. 
> This is the position as folded as the cellsystem needs it.

Oh, wow. How about some docs? (I know, this is getting repetitive)

> In case of the nsquare cellsystem, that means the absolute position, because 
> it doesn't fold at all. Wouldn't make much sense.

Why would it not make sense? For me, I always interpreted "folded
position" as the position in the central simulation box when using
periodic boundary conditions.

This is independent of the underlying algorithm that you use to speed up
 or parallelize the simulation (be it Verlet lists, cell lists, layered
systems, or nsquare).

Olaf

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