# LAMMPS input for coupling LAMMPS with Python via fix external units metal dimension 3 atom_style atomic atom_modify sort 0 0.0 lattice diamond 5.43 region box block 0 1 0 1 0 1 create_box 1 box create_atoms 1 box mass 1 28.08 velocity all create 300.0 87293 loop geom fix 1 all nve fix 2 all external pf/callback 1 1 #dump 2 all image 25 image.*.jpg type type & # axes yes 0.8 0.02 view 60 -30 #dump_modify 2 pad 3 thermo 1