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Re: [ESPResSo-users] How to adjust reflecting constraints in version 4.0

From: David Sean
Subject: Re: [ESPResSo-users] How to adjust reflecting constraints in version 4.0.1
Date: Thu, 14 Feb 2019 12:06:29 -0500

Hi David,

I am trying to understand what you mean by 'reflecting'. I tried
searching the docs for 'reflect' but could not find it mentioned in
the context of a constraint. Constraints are described here: and there is a sample
script /samples/ that you can look at.

There used to be a reflect_particle() function for shape-based
constraints, did you mean that? Can you describe what you are trying
do, i.e, is this for particles, or an LB fluid... or both?


Le mer. 13 févr. 2019 à 08:07, <address@hidden> a écrit :
> Hello everybody!
> In my simulation with  ESPResSO 4.0.1 I'm trying to implement a
> cylindrical constraint which should be reflecting.
> I saw in the docs that this should be possible for the variants wall,
> sphere, cylinder, rhomboid and stomacyte.
> However, it seems there is no option to include the reflecting flag,
> either to "espressomd.shapes.Cylinder" nor to
> "espressomd.constraints.ShapeBasedConstraint". In both cases I receive
> a "unknown parameter"-error.
> Can anyone help me here and explain where to specify the flag?
> I also have an activated Lennard-Jones interaction defined between the
> particles and the constraint.
> I would really appreciate your help.
> Best regards,
> David.

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