# ------------------------ INITIALIZATION ----------------------------
units 		metal
dimension	3
boundary	p	p	m	
atom_style	atomic
variable	latparam equal 3.615
neighbor 	3.0 bin
neigh_modify	delay 5
# ----------------------- ATOM DEFINITION ----------------------------
lattice 	fcc ${latparam} orient x 1 0 0 orient y 0 1 0 orient z 0 0 1

region		whole block 0 137.37 0 137.37 0 150 units box
create_box	1 whole

region		atom block INF INF INF INF INF 100 units box
create_atoms	1 region atom

region		atoms_rigid block INF INF INF INF INF 2 units box 
group		Atoms_rigid region atoms_rigid

region		atoms_thermo block INF INF INF INF 2 10  units box
group		Atoms_thermo region atoms_thermo

region 		atoms block INF INF INF INF 10 INF units box
group		Atoms region atoms

mass		1 63.546

# ------------------------ FORCE FIELDS ------------------------------
pair_style	eam/alloy
pair_coeff	* * CuAg.eam.alloy Cu 
# ------------------------- SETTINGS --------------------------------- 
######################################
# minimization

reset_timestep	0
timestep 	0.001
min_style 	cg 
minimize 	1.0E-10 1E-10 10000 10000

######################################
# EQUILIBRATION

fix		1 Atoms nve
fix		2 Atoms langevin 1 1 0.1 12345 

#check Atoms temperature
compute		AtomsComputedTemp Atoms temp

# Set thermo output
thermo 		500
thermo_style 	custom step pe c_AtomsComputedTemp pxx pyy pzz

#create dump file
dump		1 all custom 500 result_equilibration.lammpstrj id type x y z

run		1#10000

unfix		2
undump		1

reset_timestep  0

variable	IndentRate equal -0.25
variable	IndentCoords equal "v_IndentRate*0.001*step+120"
variable	MoveIndenter equal "v_IndentRate*0.001*step"

fix		INDENTATION all indent 10 sphere 71 71 v_IndentCoords 15 units box
fix		3 Atoms_thermo langevin 1 1 0.1 12345 
fix_modify	INDENTATION energy yes


# Set thermo output
thermo 		500
thermo_style 	custom step c_AtomsComputedTemp v_IndentCoords f_INDENTATION[1] f_INDENTATION[2] f_INDENTATION[3]

#create dump file
dump		1 all custom 500 result_indentation.lammpstrj id type x y z

run		1#100000

unfix		INDENTATION
unfix		1
unfix		3


shell		rm -f indentation.in~

print "All done"