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From: | Wink, Markus |
Subject: | [ESPResSo-users] Periodic boundary condition |
Date: | Tue, 21 Oct 2014 06:19:57 +0000 |
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 |
main_periodic.tcl
Description: main_periodic.tcl
trajectory.dat
Description: trajectory.dat
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