lammps/examples/indent/in.indent

# 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

# run with indenter

timestep	0.003
variable	k equal 1000.0/xlat
variable        y equal "13.0*ylat - step*dt*0.02*ylat"

fix		4 all indent $k sphere 10 v_y 0 5.0
fix		5 all enforce2d

thermo		1000
thermo_modify	temp new

dump		1 all atom 250 dump.indent
run		30000

# run without indenter

unfix           4
run		30000