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[ESPResSo-devel] Nsquare cellsystem and folded positions


From: Olaf Lenz
Subject: [ESPResSo-devel] Nsquare cellsystem and folded positions
Date: Mon, 13 Aug 2007 14:42:07 +0200
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Hello!

I've noticed a strange problem concerning the "nsquare cellsystem" and
the folded positions.
Attached, you'll find a simple script that sets up a simple system with
the nsquare cellsystem, creates a single particle and lets it diffuse
for 10000 timesteps.
After this, it prints out the folded position of the particle.
Unfortunately, the position is not actually folded, but it lies outside
the system boundaries.

Can somebody locate the problem in the Espresso code? I do not see, how
the position folding and the cellsystem are connected in any way...

Cheers
        Olaf
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thermostat langevin 0.5 1
setmd box_l 10 10 10
setmd time_step 0.01
setmd skin 0.0
t_random seed 1
#cellsystem domain_decomposition
cellsystem nsquare

part 0 pos 0 0 0 type 1
integrate 10000
puts "[part 0 print folded_pos]"


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