# Pour granular particles into chute container, then induce flow
echo both
log             ../DEM/log.liggghts
thermo_log      ../DEM/post/thermo.txt

atom_style      granular
atom_modify     map array sort 0 0
communicate     single vel yes

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 granular 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 # hertz without cohesion
pair_coeff  * *

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

# walls
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

# 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         rke all erotate/sphere
thermo_style    custom step atoms ke c_rke 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_run id type x y z ix iy iz vx vy vz fx fy fz omegax omegay omegaz radius

run     1 upto