#LAMMPS Input file generated by Avogadro
# graphene lithium

units		lj
atom_style      full
boundary        p p f

# Atom Definition
read_data      graphite.lmpdat
replicate      1 1 1

#lattice		fcc 1.0
#region          box block 0 5 0 5 0 10
#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 0.33401567675 1.721390215
#pair_coeff	1 2 1.0 1.0 5.0
#mass		* 1.0

neigh_modify	delay 0

group		addatoms type 2
region          mobile block 0 5 0 5 2 INF
group		mobile region mobile

compute		add addatoms temp
compute_modify	add dynamic/dof yes extra/dof 0

fix		1 addatoms nve
#fix		2 mobile langevin 1.0 1.0 0.1 587283
#fix		3 mobile nve

region          slab block 0 5 15 20 -2 15
#fix		4 addatoms deposit 100 2 100 12345 region slab near 1.0 &
                vy -1.0 -1.0
fix		5 addatoms wall/reflect zhi EDGE  zlo EDGE

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

dump		1 all atom 50 dumpgraphene.new

#dump		2 all image 50 image.*.jpg type type &
#		axes yes 0.8 0.02 view 80 -30
#dump_modify	2 pad 5

#dump		3 all movie 50 movie.mpg type type &
#		axes yes 0.8 0.02 view 80 -30
#dump_modify	3 pad 5

run             90000