On Tue, Dec 6, 2011 at 6:23 PM, Yong Duan <duan.ucdavis.edu> wrote:
>
> Ah, so, it works if it was simulated/constructed as ifbox>0.
>
> So the scenario is:
>
> 1) construct a PBC system with IFBOX>0.
> 2) simulate with NTB=0
> 3) Then, simulation with NTB=1.
>
> You could have said this earlier.
>
I tried, just unsuccessfully :). What do you think about my suggestion as
far as providing a "smart" default while still maintaining the same
behavior if users supply an explicit ntb value?
What about other people?
All the best,
Jason
--
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Candidate
352-392-4032
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Received on Tue Dec 06 2011 - 17:00:03 PST
