# 3d Lennard-Jones melt - MDI driver script

variable        x index 5
variable        y index 5
variable        z index 5

variable        rho index 0.7 0.8 0.9

label LOOP

  units         lj
  atom_style    atomic

  read_data     data.series.${rho}

  displace_atoms all random 0.1 0.1 0.1 48294

  pair_style    lj/cut 2.5
  pair_coeff    1 1 1.0 1.0 2.5

  neighbor      0.3 bin
  neigh_modify  delay 0 every 1 check yes

  compute       1 all pressure NULL virial

  thermo_style  custom step temp pe c_1 c_1[1] c_1[2] c_1[3]

  run           0

  write_dump    all custom dump.series.alone &
                id type x y z fx fy fz modify sort id append yes

  clear

next rho

jump SELF LOOP