Re: [ESPResSo-devel] adress sample and code base

[Axel Arnold]

Hi!

Before we bury ADResS, I would actually like to hear Christoph's opinion. We cannot provide support for ADResS in Espresso, but on the other hand, it is not that difficult to maintain. Ok, there will be a switch to Python...

If Christoph is willing to care a bit for ADResS, it might be worthwhile to keep it. Otherwise, we indeed will have to remove the code.

Axel

On 26.11.13 10:45, Olaf Lenz wrote:

At least at the moment, ADResS does not have much of a future in ESPResSo. The code is currently not well-suited for an ADResS implementation that actually has a performance gain. I don't think it makes sense to put any effort into the old implementation.

In fact, this thread probably tells me that it is best to remove ADResS from the code altogether, as otherwise people might be tempted to use it.

Olaf

2013/11/26 Pierre de Buyl <address@hidden>

Hi Christoph

On Mon, Nov 25, 2013 at 10:10:05AM -0700, Christoph Junghans wrote:
> 2013/11/21 Pierre de Buyl <address@hidden>:

> > If anyone knowledgeable with Espresso/AdResS would be willing to have a look and
> > comment on https://github.com/pdebuyl/espresso_work/commits/add_nregime I'd be
> > happy, if appropriate, to file a PR.
> >
> > The branch add_nregime works with the scripts attached, Adress_t.tcl and
> > auxiliary.tcl. These are not clean enough to commit, however.

> I am happy to review your changes, but first Olaf has to decide if
> AdResS has a future in Espresso, otherwise this will be just a neat
> exercise.

Thanks for proposing :-)

Given Olaf's last message I understand that this will not be necessary.

Best,

Pierre

--

Dr. rer. nat. Olaf Lenz

Institut für Computerphysik, Allmandring 3, D-70569 Stuttgart

Phone: +49-711-685-63607

-- 
JP Dr. Axel Arnold
ICP, Universität Stuttgart
Allmandring 3
70569 Stuttgart, Germany
Email: address@hidden
Tel: +49 711 685 67609