in.min.box
1ca6fb0f8160lammm-master-deprecated

in.min.box
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			# author: sjplimp@sandia.gov
			# packages:
			# 2d Lennard-Jones melt and subsequent energy minimization
			log log.min.box
			thermo_modify format float %22.16g
			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
			thermo_style custom step temp pe pxx pyy pxy
			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
			thermo 100
			run 1000
			neigh_modify delay 0 every 1 check yes
			velocity all create 0.0 1
			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
			min_modify line quadratic
			minimize 0.0 1.0e-6 10000 100000