# sample surface deposition script

units		lj
atom_style      atomic
boundary        p p f

lattice		fcc 1.0
region          box block 0 5 0 5 0 5
create_box      2 box

region		substrate block INF INF INF INF INF 3
create_atoms	1 region substrate

pair_style	lj/cut 2.5
pair_coeff	* * 1.0 1.0
pair_coeff	1 2 1.0 1.0 5.0
mass		* 1.0

neigh_modify	delay 0

region          slab block 0 5 0 5 4 5
group		addatoms type 2

compute		add addatoms temp
compute_modify	add dynamic yes extra 0

#fix		1 addatoms nve
fix		1 addatoms nvt 1.0 1.0 0.1
fix_modify	1 temp add

fix		2 addatoms deposit 100 2 100 12345 region slab near 1.0
fix		3 addatoms wall/reflect zhi

thermo_style	custom step atoms temp epair etotal press
thermo          100
thermo_modify	temp add

restart		1000 tmp.restart

dump            1 all atom 10 tmp.deposit
run             10000