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Re: [ESPResSo-users] (no subject)

From: Stefan Kesselheim
Subject: Re: [ESPResSo-users] (no subject)
Date: Fri, 30 Nov 2012 11:13:44 +0100

Dear Farnoosh, dear Espressis,

On Nov 29, 2012, at 5:28 PM, Farnoosh Farahpoor <address@hidden> wrote:

> Dear all
> I want to apply a force field with a complicate functionality in position. 
> The force field depends on the position of the particle and is obtained from 
> a finite element calculation.
> Is there a way to apply such a force in integration process of ESPResSo? If 
> not is there any idea about what is the best way to add it to the source 
> files (in which file)?

I have just finished implementing such a thing, where you can a tabulated 
potential energy as input to calculate position dependent forces for particles. 
In my case it is the result of a FEM solution of the Laplace equation, to make 
particles move in a position dependent electric field. The implementation can 
easily be used for force interpolation (it is a bit technical, wether to take 
the potential or the field as input…).

It is not documented yet and it is tested quite carefully, but not fully yet. I 
would like to have it ready for other users by the end of next week, or maybe a 
bit later. If you need it earlier, please let me know, then I can give you 
access to the corresponding branch and give a brief introduction. We are not 
planning any new releases, so it makes sense to use the github version anyways.

> Best regards,
> Farnoush

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