Dear Lammps user,
I am using the fix ave/atom command to dump the position coordinates of spherical particles. For particles crossing the edges of the simulation box due to PBC condition, the time average coordinates are at or near half of the box length. Is there any lammps command to fix it?
Thank you
Dear Lammps user,
I am using the fix ave/atom command to dump the position coordinates of spherical particles. For particles crossing the edges of the simulation box due to PBC condition, the time average coordinates are at or near half of the box length. Is there any lammps command to fix it?
LAMMPS is doing what you asked it for. There is nothing to fix on the LAMMPS side.
If you don’t want the observed behavior when atoms move through periodic boundaries, you have to average unwrapped position data instead of wrapped coordinates.
Dear Prof.,
Thank you for your prompt reply.