Greetings,
are there possible ways for the code to report lost atoms with periodic boundary conditions?
Greetings,
are there possible ways for the code to report lost atoms with periodic
boundary conditions?
yes.
Whether you use PBC or not, LAMMPS will error out when
you lose an atom. Unless you use thermo_modify lost to
warn or ignore. If you use ignore then you can “report”
whenever an atom is lost by printing the # of atoms with
thermo output. Or monitor it via a variable and fix ave/time
every timestep (if you wish). Note that atoms only become
“lost” on timesteps where reneighboring occurs.
Steve