in.indent
b704a82dafc5lammm-master-deprecated

in.indent
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			# 2d indenter simulation

			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 1.0
			mass 2 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

			compute new mobile temp
			velocity mobile create 0.2 482748 temp new
			fix 1 all nve
			fix 2 lower setforce 0.0 0.0 0.0
			fix 3 all temp/rescale 100 0.1 0.1 0.01 1.0

			# indenter

			fix 4 all indent 1000.0 sphere 10 13 0 5.0 vel 0.0 -0.02 0.0
			fix 5 all enforce2d

			# Run with indenter

			timestep 0.003
			thermo 1000
			thermo_modify temp new

			dump 1 all atom 250 dump.indent
			run 30000

			# Run without indenter

			unfix 4
			run 30000