in.table
e3eb61765260lammm-master-deprecated

in.table
View Options

			# 3d Lennard-Jones melt

			units lj
			atom_style atomic

			variable num index 500

			lattice fcc 0.8442
			region box block 0 20 0 20 0 20
			create_box 1 box
			create_atoms 1 box
			mass 1 1.0

			velocity all create 1.44 87287 loop geom

			pair_style lj/cut 2.5
			pair_coeff 1 1 1.0 1.0 2.5

			neighbor 0.3 bin
			neigh_modify delay 5 every 1

			shell rm lj_table.dat
			pair_write 1 1 ${num} rsq 0.2 3.0 lj_table.dat LJ

			pair_style table spline ${num}
			pair_coeff 1 1 lj_table.dat LJ

			fix 1 all nve

			thermo 10

			run 100