# 3d Lennard-Jones melt units lj atom_style atomic processors * 1 1 variable factor index 1.0 lattice fcc 0.8442 region box block 0 10 0 10 0 10 create_box 3 box create_atoms 1 box mass * 1.0 region long block 3 6 0 10 0 10 set region long type 2 velocity all create 1.0 87287 pair_style lj/cut 2.5 pair_coeff * * 1.0 1.0 2.5 pair_coeff * 2 1.0 1.0 5.0 neighbor 0.3 bin neigh_modify every 2 delay 4 check yes balance 1.0 shift x 10 1.0 weight neigh 0.8 # out weighted_var.txt fix 1 all nve #dump id all atom 50 dump.melt #dump 2 all image 25 image.*.jpg type type & # axes yes 0.8 0.02 view 60 -30 #dump_modify 2 pad 3 #dump 3 all movie 25 movie.mpg type type & # axes yes 0.8 0.02 view 60 -30 #dump_modify 3 pad 3 thermo 50 run 250 post no balance 1.0 shift x 10 1.0 weight neigh 0.8 run 250 post no balance 1.0 shift x 10 1.0 weight neigh 0.8 run 250 post no balance 1.0 shift x 10 1.0 weight neigh 0.8 weight time 0.6 run 250 balance 1.0 shift x 10 1.0 weight neigh 0.8 weight time 0.6 run 250