in.mc
87d0ff963b49lammm-master-deprecated

in.mc
View Options

			# problem setup for Monte Carlo relaxation of perturbed 2d hex lattice
			# same as example/MC/in.mc

			units lj
			atom_style atomic
			atom_modify map array sort 0 0.0

			dimension 2

			lattice hex 1.0
			region box block 0 10 0 5 -0.5 0.5

			create_box 1 box
			create_atoms 1 box
			mass 1 1.0

			pair_style lj/cut 2.5
			pair_coeff 1 1 1.0 1.0 2.5
			pair_modify shift yes

			neighbor 0.3 bin
			neigh_modify delay 0 every 1 check yes