in.min.box
7c200a5fde06lammm-master

in.min.box
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			# 2d Lennard-Jones melt and subsequent energy minimization

			units lj
			dimension 2
			atom_style atomic

			lattice sq2 0.8442
			region box block 0 20 0 20 -0.1 0.1
			create_box 1 box
			create_atoms 1 box
			mass 1 1.0

			velocity all create 5.0 87287 loop geom

			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

			fix 1 all nve
			fix 2 all enforce2d

			dump 1 all atom 100 dump.min

			thermo 100

			run 1000

			neigh_modify delay 0 every 1 check yes


			velocity all create 0.0 1
			dump_modify 1 every 25
			thermo 50
			minimize 1.0e-6 0.001 1000 10000

			fix 3 all box/relax x 1.0 y 2.0 vmax 1.0e-4 nreset 100

			thermo_style custom step temp pe pxx pyy pxy

			min_modify line quadratic
			minimize 0.0 1.0e-6 10000 100000