|Subject:||Re: [ESPResSo-users] Periodic boundary condition|
|Date:||Tue, 21 Oct 2014 07:08:34 +0000|
thank you for the fast reply. I didn’t check the FAQs before. My bad, sorry!
Von: address@hidden [mailto:address@hidden
Im Auftrag von Olaf Lenz
Have a look at the FAQ:
2014-10-21 8:19 GMT+02:00 Wink, Markus <address@hidden>:
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?
Dr. rer. nat. Olaf Lenz
Institut für Computerphysik, Allmandring 3, D-70569 Stuttgart
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