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Re: [lammps-users] BUG: atom->v and atom->x mixed up
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Re: [lammps-users] BUG: atom->v and atom->x mixed up


From: Axel Kohlmeyer <akohlmey@...24...>
Date: Fri, 14 Jul 2017 07:01:18 -0400

On Fri, Jul 14, 2017 at 5:59 AM, Frank Zack via lammps-users
<lammps-users@lists.sourceforge.net> wrote:
> I've written a simple fix..it doesn't matter what it does. Actually it works
> fine. The ony problem occurs when I restart from a binary restart file:
>
> Every proc iterates through all the atoms within its neigh list. I'm
> printing every atom's velocity vector using double **v = atom->v. For some
> atoms, instead of the velocity, the position is printed. Those atoms are at
> the edge of the simulation cell.
>
> Any ideas what is going wrong here?

please see http://lammps.sandia.gov/guidelines.html especially points 3 and 9

axel.

>
>
> regards,
> frank.
>
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-- 
Dr. Axel Kohlmeyer  akohlmey@...24...  http://goo.gl/1wk0
College of Science & Technology, Temple University, Philadelphia PA, USA
International Centre for Theoretical Physics, Trieste. Italy.