RE: [ESPResSo-devel] shifts

[Limbach, Hans Joerg, LAUSANNE, NRC-FS]

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
> 
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