#echo            both
log             ../DEM/log.liggghts
thermo_log      ../DEM/post/thermo.txt

atom_style	hybrid charge sphere 
atom_modify	map array
boundary	p f f 
newton		off

communicate	single vel yes
units	micro

region		reg block 0.0 50 -6 6 -6 6 units box
region      insreg1 block 1 48 -4 4 -4 4 units box
create_box	2 reg

neighbor	1 bin
neigh_modify	delay 0

#New pair style
pair_style  gran model hertz tangential history #Hertzian without cohesion
pair_coeff  * *

read_data  data.atoms add 

#Material properties required for new pair styles
fix  m1 all property/global youngsModulus peratomtype 1e6 1e6
fix  m2 all property/global poissonsRatio peratomtype 0.45 0.45
fix  m3 all property/global coefficientRestitution peratomtypepair 2 0.3 0.3 0.3 0.3 
fix  m4 all property/global coefficientFriction peratomtypepair 2 0.5 0.5 0.5 0.5 
fix  m5 all property/global k_finnie peratomtypepair 2 1.0 1.0 1.0 1.0


timestep    0.00001


#particle insertion

create_atoms    1 random 100 32452843 insreg1 units box 
set type        1 diameter 1 density 2000

group flow      type 1 
group walls      type 2 


#apply nve integration to all particles that are inserted as single particles
fix    integr all nve/sphere


fix		ts flow check/timestep/gran 1000 0.1 0.1

velocity walls set 0 0 0
fix 2 walls freeze


#output settings, include total thermal energy
compute       rke all erotate/sphere
thermo_style  custom step atoms ke c_rke vol
thermo        2000
thermo_modify lost ignore norm no 
compute_modify	thermo_temp dynamic yes
dump   dmp flow custom/vtk 5000 post/flow_*.vtk id type type x y z ix iy iz vx vy vz fx fy fz omegax omegay omegaz radius 
dump   dmp2 walls custom/vtk 100000 post/walls_*.vtk id type type x y z ix iy iz vx vy vz fx fy fz omegax omegay omegaz radius 

#insert the first particles so that dump is not empty
run    1


write_restart   post/restart/liggghts.restart