Losing atoms.

Saketh_Bharadwaja · March 30, 2011, 5:59am

Hi,

Please find attached my LAMMPS input script and the log file. I am using the create_atoms command (which works fine in the case) to create a 385^th atom with specific coordinates as mentioned in the input script. I added the 385^th atom too to the mobile atoms category. I am losing atoms when I do this. Could anybody please advice what could be the issue…

-Saketh.

LosingAtomsLOG.lammps (3.27 KB)

NEWTADSI.txt (2.19 KB)

Vasily_Pisarev · March 30, 2011, 8:02am

Dear Saketh,

It seems that you create a new atom too close to one of the lattice
atoms. Try placing it at a position where it wouldn't have huge
potential energy.

All the best,
Vasily Pisarev