# Twisted Bilayer Graphene (theta: 3,89deg)

# Initialization
units          metal
dimension      3
boundary       p p p
atom_style     charge

# Read Data
read_data	bilayer.lmp
replicate	1 1 1
                    
# Grouping per Layer
group		layer1 id <= 434
group		layer2 id > 434

# Potential (Lennard-Jones potential)
pair_style	lj/cut 2.0
pair_coeff	* * 1 1
pair_coeff	1 1 1 1.1 2.8

# Some forums say to use 'fix' command to remove the rotation and translation of each layer, but I guess it doesn't work to maintain 2 layers
#fix		1 layer1 setforce 0.0 0.0 0.0
#fix		2 layer2 setforce 0.0 0.0 0.0

dump		1 all atom 1 output/minim.lammpstrj

min_style	cg
min_modify	dmax 2.0 line quadratic
minimize	1.0e-7 1.0e-7 10000 10000

neigh_modify	delay 0

print		"ALL DONE"