[lammps-users] Dump command


If i have a structure with 100 atoms simulated for 10000 timesteps, Is there anyway i can output the velocities of each atom at different timesteps in separate files??

I mean using dump, we can output the velocities of all atoms at a particular timestep, but i want the otherway around. Say, in this case i want 100 different files, each having the velocties of a particular atom at each timestep instead of 10000 files each having the velocites of 100 atoms at that particular timestep


You can't do this with LAMMPS. It would require
having 100 files open, and there's no reason 100
couldn't become a million.

I'd do it with a post-processing script. In Pizza.py
it would be 5-10 lines of code to create the files
you want.