Dear LAMMPS users,
Now I want to record the accumulated real displacement of each atom in LAMMPS during the running, not instantaneous position that would involve the periodic boundary condition. I noticed that in the fix msd command, the code calculates dx dy dz. But there is no output about that. Could any command else in LAMMPS do this? Or I can define some variables to realize that?
Any suggestions would be highly appreciated.
Best
Yajie Lei