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Re: [ESPResSo-users] Raspberry model- periodicity failure
From: |
Rudolf Weeber |
Subject: |
Re: [ESPResSo-users] Raspberry model- periodicity failure |
Date: |
Thu, 26 Jul 2018 14:31:54 +0200 |
User-agent: |
Mutt/1.5.24 (2015-08-30) |
Hi,
On Thu, Jul 26, 2018 at 07:46:44AM -0400, Le Qiao wrote:
> I was running the raspberry model tutorial script, the system is supposed to
> be periodic, but the output position indicates the colloid exceeds the box.
> I’m not sure how to fix it, Can anyone help?
At first glance, the tutorial script prints the unfolded position
(ParticleHandle.pos) rather than the folded one (ParticleHandle.pos_folded).
The unfolded position is useful because one can calculate the total distance,
the particle has travelled, but the folded position is the one relevant for
interactions and particle-fluid coupling.
Regards, Rudolf