Re: [ESPResSo-devel] Why can you set f?

[Axel Arnold]

Hi!

Well, I used it a couple of times to do debug some force analysis. It 
could also be useful for doing off-line analysis of forces, if you want 
also the random forces to be included. And finally, the testsuite 
currently relies on it for reading back the expected forces.

On the other hand, is there a good reason not to be able to set the 
forces? The forces don't influence the integration and get overwritten, 
but for analysis they still play a role, see the testsuite.

Axel

On 03/18/2013 02:51 PM, Olaf Lenz wrote:
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> Hi!
>
> We have just wondered why ESPResSo allows you to *set* the force on a
> particle, like
>
>    part 1 f 1 2 3
>
> Once you do integrate 0, the force is overwritten.
>
> We know that being able to write f allows the force to be restored from
> a blockfile, but is there any other reason? Does it make any actual
> sense that the force in a particle is writable?
>
> Olaf
>
> - -- 
> Dr. rer. nat. Olaf Lenz
> Institut für Computerphysik, Allmandring 3, D-70569 Stuttgart
> Phone: +49-711-685-63607
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--
JP Dr. Axel Arnold
ICP, Universität Stuttgart
Pfaffenwaldring 27
70569 Stuttgart, Germany
Email: address@hidden
Tel: +49 711 685 67609