pilotwave.lamps

units                   real   
atom_style              charge
boundary                p p p

processors		* * *
region		        sim_space block -8 320 -8 320 -50 50 units box
create_box	        2 sim_space 


# Create graphene sheet
region                  graphene_space block -5 320 -5 320 -3 3 units box
read_dump               structures/30nm_30nm_graphene.what 0 x y z box no add yes
group                   graphene region graphene_space

# Mass of carbon
mass                    1 12.01

# Add single atom of special type
create_atoms            2 single 80.8 80.8 -9 units box
region                  a_single_atom sphere 80 80 -9 2 units box
group                   a_single_ball region a_single_atom
mass                    2 1500.1

# Removing atoms for debug agility, remove this TODO
region			notDel sphere 80 80 0 30 units box
group			notDel region notDel
group			del subtract all notDel
delete_atoms		group del

# Declare separate potentials for each possible atom type interaction
pair_style	        lj/cut	10
# Sheet - Sheet
pair_coeff	        1	1	0.00032 3.345 10	
# Ball - Sheet 
pair_coeff	        1	2	0.030832 3.345 10	
# Ball - Ball
pair_coeff	        2	2	0.010832 3.345 10	

# Some numerical neuances
neighbor        	1.0 bin
neigh_modify    	every 1 delay 0

# Full data dump
dump                    my_dump all atom 100 pilotwaves.lammpstrj

# debug << 
thermo                  100

timestep                0.85

# Obligatory fix
fix                     NVE all nve

# Add harmonic response from the graphene
fix                     springness graphene spring/self 101.3 xyz
# Is spring needed in the presence of swiggle?

# Add graphene sheet oscillations (val0, amplitude, period)
variable                sinForce equal swiggle(0,0.5,1100)
# fix                     wavee graphene addforce 0.0 0.0 v_sinForce

# Allow field to oscillate only in the z-direction
fix                     test graphene setforce 0.0 0.0 NULL

# Special gravity for special atom
fix                     a_gravity a_single_ball addforce 0.0 0.0 1.0

# Stabilize the graphene sheet
fix                     vis all viscous 500
run                     700 

# Add viscousity
fix			vis all viscous 300

# See what gives
run                     3000