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

[Limbach, Hans Joerg, LAUSANNE, NRC-FS]

Hi,

What is a periodically replicated system together with the nsquare cellsystem?
Answer: A strange thing. So, no wonder it behaves strange.

Hanjo 

P.S. There is no box for the nsquare cellsystem and thus no folding!

> -----Original Message-----
> From: address@hidden 
> [mailto:address@hidden On 
> Behalf Of Olaf Lenz
> Sent: lundi, 13. août 2007 14:42
> To: Espresso developers
> Subject: [ESPResSo-devel] Nsquare cellsystem and folded positions
> 
> -----BEGIN PGP SIGNED MESSAGE-----
> Hash: SHA1
> 
> 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
> -----BEGIN PGP SIGNATURE-----
> Version: GnuPG v1.4.1 (GNU/Linux)
> Comment: Using GnuPG with Mozilla - http://enigmail.mozdev.org
> 
> iD8DBQFGwFGftQ3riQ3oo/oRAl1QAKCpLMrwsDmT3XzR1vKICnIj5+c/yACfd8Vq
> VcAZXZYlUZimv030Znjcxs4=
> =NlZr
> -----END PGP SIGNATURE-----
>