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


From: Frank Zack <frankzack123@...664...>
Date: Fri, 14 Jul 2017 09:59:36 +0000 (UTC)

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?


regards,
frank.