[Top][All Lists]
[Date Prev][Date Next][Thread Prev][Thread Next][Date Index][Thread Index]
RE: [ESPResSo-devel] shifts
From: |
Limbach, Hans Joerg, LAUSANNE, NRC-FS |
Subject: |
RE: [ESPResSo-devel] shifts |
Date: |
Tue, 9 Oct 2007 15:53:46 +0200 |
Hi Axel,
Yes, I think it is important that the people realize that there is
something weired at the end of the potential. E.g. one has to realize
that when one uses a shift one also shifts the minimum. It is by no
means obvious that this is what should be the standard. So there is no
correct value.
Regards,
Hanjo
> -----Original Message-----
> From: address@hidden
> [mailto:address@hidden On
> Behalf Of Axel Arnold
> Sent: mardi, 9. octobre 2007 15:14
> To: ESPResSo developers' mailing list
> Subject: Re: [ESPResSo-devel] shifts
>
> On Tuesday 09 October 2007 14:50, Limbach,Hans
> Joerg,LAUSANNE,NRC-FS wrote:
> > It's probably good to use that in all scripts (Axel you can
> hear me?)
> Ok, I will take care of it. Although in general, I would
> prefer to implement the shift in the potential itself.
> Basically, if you don't specify it, it gets set to the
> correct value. Any good reasons against that?
>
> Axel
>
> --
> Dr. Axel Arnold
> FOM Institute for Atomic and Molecular Physics
> Kruislaan 407 Phone: +31 20 6081 275
> 1098 SJ Amsterdam, The Netherlands E-mail: address@hidden
>
> _______________________________________________
> ESPResSo-devel mailing list
> address@hidden
> https://fias.uni-frankfurt.de/mailman/listinfo/espresso-devel
>