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From: | Olaf Lenz |
Subject: | Re: [ESPResSo-users] Periodic boundary condition |
Date: | Tue, 21 Oct 2014 08:49:42 +0200 |
Hello everybody,
I wanted to understand the behavior of the „setmd periodic 111” command.
For that I set up a box of dimension 20x20x20 and put a particle with a constant velocity in +x direction. I would expect, that when the particle reaches the position x=20 (end of the box), that it leaves the simulation box and enters it again at position x=0 (At least that is what I understand of a periodic box).
If I have a look on the trajectory, I don’t see that behavior. Instead the particle keeps on propagating and the x-position increases.
In the user guide I could not find any description of what the “setmd periodic 1 1 1 “ command actually does.
The *.tcl script as well as the trajectory data are being attached.
Does anybody can give me a clue or explain to me whether I did a mistake on my setup?
Greetings
Markus
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