units		si
atom_style      sphere
boundary        p p p
newton          off
comm_modify     mode single vel yes

variable        NSTEPS equal 2000000
variable        DUMPSTART equal 1800000
variable        DUMPEND equal ${NSTEPS}
variable        NSKIP equal 200

#Read the Cluster of compound particles
fix             addMolecule all property/atom mol ghost yes
read_data       dumbellsV056.dat fix addMolecule NULL Molecules

set		atom * mass 1.2295e-6
set 		atom * diameter 0.001

log		log.lammps append
reset_timestep	0

variable        shearRate equal 21.382484

print		"Shear Rate=${shearRate}, Run=1"

#Set DEM
pair_style      gran/hooke/history 2000 NULL 50 NULL 1 0
pair_coeff      * *

velocity        all create 1e15 1 loop geom

neighbor        0.003 bin
neigh_modify    delay 0 every 1 check yes
neigh_modify    exclude molecule all

timestep        1e-5	
fix             1 all rigid molecule

compute         1 all temp/sphere
compute         2 all pressure 1

thermo_style    custom step c_1 c_2 vol
thermo          500

run 30000 

#Remove Previous Settings
unfix		1
uncompute	1
uncompute	2

reset_timestep	0

#New Seetings
change_box	all triclinic remap

pair_style      gran/hooke/history 2000 NULL 50 NULL 0.5 1
pair_coeff      * *

timestep	1e-5
 
fix		1 all rigid molecule

thermo_style	custom step
thermo		1000

fix             velProf all ave/spatial 1 10000 10000 y lower 0.04 vx norm all ave window 20 units reduced file vel.profile
fix 		shearRun all deform 1 xy erate ${shearRate} remap v units box

run ${NSTEPS}