in.pair_python_melt
d1bbe9546c02lammm-devel

in.pair_python_melt
View Options

			# 3d Lennard-Jones melt

			units lj
			atom_style atomic

			lattice fcc 0.8442
			region box block 0 10 0 10 0 10
			create_box 1 box
			create_atoms 1 box
			mass * 1.0

			velocity all create 3.0 87287

			pair_style python 2.5
			pair_coeff * * py_pot.LJCutMelt lj

			neighbor 0.3 bin
			neigh_modify every 20 delay 0 check no

			fix 1 all nve

			thermo 50
			run 250

			write_data melt.data
			write_restart melt.restart

			clear

			read_restart melt.restart

			pair_style python 2.5
			pair_coeff * * py_pot.LJCutMelt lj

			fix 1 all nve

			thermo 50
			run 250

			clear

			units lj
			atom_style atomic

			read_data melt.data

			pair_style python 2.5
			pair_coeff * * py_pot.LJCutMelt lj

			neighbor 0.3 bin
			neigh_modify every 20 delay 0 check no

			fix 1 all nve

			thermo 50
			run 250

			shell rm melt.data melt.restart