Dear LAMMPS users,
My plan is to set up a run that terminates when one atom reaches a point in the z-coordinate (as it is only moving along this axis).
Now i have a variable, say z that has the data for coordinates.
Having read the LAMMPS documentation, I do this as follows:
run 2000 every 1 "if '$z > 10' then quit"
This seems to work, but I would like to know if there is a better way of optimising this- maybe say writing the output in a file first before terminating the script, or perhaps saving the configuration in a restart file before quitting LAMMPS, such that I could run another simulation straight after the first script is aborted?
Thank you very much in advanced,