in.015
977a7a5461f7lammm-master-deprecated

in.015
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			# 2d indenter simulation with minimization instead of dynamics

			timer off
			dimension 2
			boundary p s p

			atom_style atomic
			neighbor 0.3 bin
			neigh_modify delay 5

			# create geometry

			lattice hex 0.9
			region box block 0 20 0 10 -0.25 0.25
			create_box 2 box
			create_atoms 1 box

			mass * 1.0

			# LJ potentials

			pair_style lj/cut 2.5
			pair_coeff * * 1.0 1.0 2.5

			# define groups

			region 1 block INF INF INF 1.25 INF INF
			group lower region 1
			group mobile subtract all lower
			set group lower type 2

			# initial velocities

			fix 2 lower setforce 0.0 0.0 0.0

			# indenter

			fix 5 all enforce2d

			# minimize with indenter

			thermo 10

			#dump 1 all atom 10 dump.indent

			#dump 2 all image 25 image.*.jpg type type &
			# zoom 1.6 adiam 1.5
			#dump_modify 2 pad 4

			#dump 3 all movie 25 movie.mpg type type &
			# zoom 1.6 adiam 1.5
			#dump_modify 3 pad 4

			minimize 1.0e-6 1.0e-6 1000 1000

			variable k equal 5000.0/xlat
			variable k1 equal 1000.0/xlat

			fix 4 all indent $k sphere 10 13.0 0 6.0
			fix_modify 4 energy yes

			info all

			minimize 1.0e-6 1.0e-6 1000 1000

			fix 4 all indent ${k1} sphere 10 12.5 0 6.0
			fix_modify 4 energy yes
			minimize 1.0e-6 1.0e-6 1000 1000