in.pinning
View Options

			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

lammps/examples/USER/misc/rhok/in.pinningd1bbe9546c02lammm-devel