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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.
Cheers
Stefan
>
> Best regards,
> Farnoush