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.
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.