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Re: [ESPResSo-users] (no subject)

From: Farnoosh Farahpoor
Subject: Re: [ESPResSo-users] (no subject)
Date: Fri, 30 Nov 2012 20:26:11 +0330

Dear Stefan

That's a very good news. It is exactly what I need. It would be great If you could give me the access.
If it would not cause you any trouble I would be grateful to get it and try to use it. 
It helps me a lot in speeding up the procedure of writing my script and setting up the system.

Best regards

On Fri, Nov 30, 2012 at 1:43 PM, Stefan Kesselheim <address@hidden> wrote:
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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