units       lj
dimension   3
boundary    p p p
atom_style  atomic

# truncated and shifted LJ potential
pair_style  lj/cut 2.5
pair_modify shift yes
read_data   data.halfhalf
pair_coeff  1 1 1.0 1.0 2.5
mass        1 1.0

# simulation parameters 
neighbor	0.6 bin
timestep	0.004
run_style 	verlet

velocity all create 0.8 1 mom yes rot yes
fix ensemble all npt temp 0.8 0.8 4.0 z 2.185 2.185 8.0
fix 100 all momentum 100 linear 1 1 1

# harmonic rho_k bias-field 
#                 nx ny nz K     a
fix bias all rhok 16 0  0  4.0   26.00

# output                                U_bias rho_k_RE  rho_k_IM |rho_k| 
thermo_style custom step temp pzz pe lz f_bias f_bias[1] f_bias[2] f_bias[3]
thermo 50
# dump dumpXYZ all xyz 500 traj.xyz

# NOTE: run reduced for demonstration purposes
# run 50000
run 5000