[lammps-users] Question about the accumulated displacement

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1

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

2

See the compute displace/atom command.

Steve