How to access atoms info in store/state when atom number changes

LAMMPS LAMMPS Mailing List Mirror
1

Dear Lammps users:

I want to access some atomic coordinates in the beginning of my simulation during MD, so I used a store/state command to store them. However, my atom number changed afterward. For example, I just added or deleted an atom in the system. In this case, I find that I can output store/state info for >N system, but for <N system the info cannot be access since only <N atomic lines can be output. Is there a workaround for this?

Thank you very much!

Shijun Zhao

2

I think you’re asking to output the time=0 coord of an atom that
later was deleted by the simulation. Once it is deleted
it’s time=0 is also gone. Because that info is stored with
the atom.

Steve