Re: [ESPResSo-devel] shifts

[Olaf Lenz]

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Hi!

Limbach, Hans Joerg, LAUSANNE, NRC-FS wrote:
> 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.

I agree with Hanjo, it would be better if the author of a script
explicitely has to specify that he wants to have it continuously.
However, to save effort for the author of a script, I would suggest to
simply allow an optional argument to the "inter lj" command, like
"-continuous" or the like to make it continuous at the cutoff.
Otherwise, Hanjos solution is also fine, although it is more of a hasle
for the script writer.

How about that?

Olaf
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