echo both

# Pour granular particles into chute container, then induce flow

atom_style	granular
atom_modify	map array sort 0 0
communicate	single vel yes
#processors	1 1 2

boundary	f f f
newton		off

units		si

region		reg block 0 0.1 0 0.1 0 0.1 units box
create_box	1 reg

neighbor	0.003 bin
neigh_modify	delay 0 binsize 0.01


#Material properties required for new pair styles
fix 		m1 all property/global youngsModulus peratomtype 5.e6
fix 		m2 all property/global poissonsRatio peratomtype 0.45
fix 		m3 all property/global coefficientRestitution peratomtypepair 1 0.3
fix 		m4 all property/global coefficientFriction peratomtypepair 1 0.5
#fix 		m5 all property/global characteristicVelocity scalar 2.0

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

#timestep, gravity
timestep	0.00001
fix		gravi all gravity 9.81 vector 0.0 -1.0 0.0

#walls (liggghts 2.0)
fix xwalls1 all wall/gran model hertz tangential history primitive type 1  xplane 0.0
fix xwalls2 all wall/gran model hertz tangential history primitive type 1  xplane 0.1
fix ywalls1 all wall/gran model hertz tangential history primitive type 1  yplane 0.0
fix ywalls2 all wall/gran model hertz tangential history primitive type 1  yplane 0.1
fix zwalls1 all wall/gran model hertz tangential history primitive type 1  zplane 0.0
fix zwalls2 all wall/gran model hertz tangential history primitive type 1  zplane 0.01

#-import mesh from cad:
#fix		cad1 all mesh/gran hopperGenauerSALOME.stl 1 1.0 0. 0. 0. 0. 180. 0. 

#-use the imported mesh as granular wall
#fix		bucket_wall all wall/gran/hertz/history 1 0 mesh/gran 1 cad1

#- create single partciles
create_atoms    1 single 0.05 0.025  0.05 units box  
set group all diameter 0.0001 density 3000

#cfd coupling
fix		cfd all couple/cfd couple_every 100 mpi
fix		cfd2 all couple/cfd/force

variable       vx equal vx[1]
variable       vy equal vy[1]
variable       vz equal vz[1]
variable       time equal step*dt
fix            extra all print 100 "${time} ${vx} ${vy} ${vz}" file ../DEM/post/velocity.txt title "%" screen no

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

#screen output
compute		1 all erotate/sphere
thermo_style	custom step atoms ke c_1 vol
thermo		1000
thermo_modify	lost ignore norm no
compute_modify	thermo_temp dynamic yes

#insert the first particles so that dump is not empty
run		1
dump		dmp all custom 1000 ../DEM/post/dump.liggghts_init id type type x y z ix iy iz vx vy vz fx fy fz omegax omegay omegaz radius 

run		1 upto