Particles displacement

Hi Christoph,
here my script:

# *** LIGGGHTS 1.2.8 ***

# *** General ***

atom_style granular
boundary m m m
newton off
communicate single vel yes
units si
processors 2 1 1

# *** Restart - read ***

#read_restart OK_restart.75000 # if used "create_box" is to be commented

# *** Box ***

variable mX equal -0.05
variable pX equal 0.05
variable mY equal -0.05
variable pY equal 0.05
variable mZ equal -0.4000
variable pZ equal 2.00

variable cZ equal 0.00
variable bZ equal 0.40
variable aZ equal 0.80

variable velZ equal -10.0

variable radius1 equal 0.0050
variable radius2 equal 0.0045
variable radius3 equal 0.0040

variable skin equal 0.0100

variable densityC equal 1.70e+3
variable densityB equal 1.45e+3
variable densityA equal 1.20e+3

neighbor ${skin} bin
neigh_modify delay 0

region reg block ${mX} ${pX} ${mY} ${pY} ${mZ} ${pZ} units box
create_box 1 reg

# *** Pair style ***

variable fr_a equal 1 # fr: friction, co: cohesion
variable co_a equal 1 # a: atoms, w: walls, c: cad
variable fr_w equal 1 # friction, 0: off, 1: tg, 2: roll, 3: tg+roll
variable co_w equal 1 # cohesion, 0: off, 1: on
variable fr_c equal 1
variable co_c equal 1
pair_style gran/hertz/history ${fr_a} ${co_a}
pair_coeff * *

# *** Material properties ***

fix m1 all property/global youngsModulus peratomtype 10e+9
fix m2 all property/global poissonsRatio peratomtype 0.35
fix m3 all property/global coefficientRestitution peratomtypepair 1 0.01
fix m4 all property/global coefficientFriction peratomtypepair 1 0.3
fix m5 all property/global coefficientRollingFriction peratomtypepair 1 0.3
fix m6 all property/global characteristicVelocity scalar 2.
fix m7 all property/global cohesionEnergyDensity peratomtypepair 1 1.9e+8
fix m8 all property/global k_finnie peratomtypepair 1 1.0

# *** Box walls ***

fix boxwalls_x all wall/gran/hertz/history ${fr_w} ${co_w} xplane ${mX} ${pX} 1
fix boxwalls_y all wall/gran/hertz/history ${fr_w} ${co_w} yplane ${mY} ${pY} 1
fix boxwalls_z all wall/gran/hertz/history ${fr_w} ${co_w} zplane ${mZ} ${pZ} 1

# *** Gravity ***

fix gravi all gravity 9.81 vector 0.0 0.0 -1.0

# *** Time ***

timestep 1e-6
#fix ts all check/timestep/gran 1 0.1 0.1

variable runtime equal 1e+6

variable restarttime equal 25000
variable settime equal 1e+5
variable thermotime equal 1000

variable movecadvel equal -2.0
variable movecadtime equal 0.19*${runtime}

variable dumptime equal 5000
variable Nevery equal 1
variable Nrepeat equal 5000
variable Nfreq equal 5000

# *** Distribution for insertion ***

variable alpha equal 0.20
variable Nattemps equal 1000

fix ptsC1 all particletemplate/sphere 1 atom_type 1 density constant ${densityC} radius constant ${radius1}
fix ptsC2 all particletemplate/sphere 1 atom_type 1 density constant ${densityC} radius constant ${radius2}
fix ptsC3 all particletemplate/sphere 1 atom_type 1 density constant ${densityC} radius constant ${radius3}
fix pddC all particledistribution/discrete 1. 3 ptsC1 0.57 ptsC2 0.26 ptsC3 0.17

fix ptsB1 all particletemplate/sphere 1 atom_type 1 density constant ${densityB} radius constant ${radius1}
fix ptsB2 all particletemplate/sphere 1 atom_type 1 density constant ${densityB} radius constant ${radius2}
fix ptsB3 all particletemplate/sphere 1 atom_type 1 density constant ${densityB} radius constant ${radius3}
fix pddB all particledistribution/discrete 1. 3 ptsB1 0.57 ptsB2 0.26 ptsB3 0.17

fix ptsA1 all particletemplate/sphere 1 atom_type 1 density constant ${densityA} radius constant ${radius1}
fix ptsA2 all particletemplate/sphere 1 atom_type 1 density constant ${densityA} radius constant ${radius2}
fix ptsA3 all particletemplate/sphere 1 atom_type 1 density constant ${densityA} radius constant ${radius3}
fix pddA all particledistribution/discrete 1. 3 ptsA1 0.57 ptsA2 0.26 ptsA3 0.17

region bcC block ${mX} ${pX} ${mY} ${pY} ${mZ} ${cZ} units box
region bcB block ${mX} ${pX} ${mY} ${pY} ${cZ} ${bZ} units box
region bcA block ${mX} ${pX} ${mY} ${pY} ${bZ} ${aZ} units box

group nve_group region reg

fix 1 all nve/sphere

# *** Output ***

compute 1 all erotate/sphere

compute 2 all com # if used here, the custumvec in ParaView will be NULL
fix 2_store_coord all store/coord

thermo_style custom step atoms ke c_1 vol
thermo ${thermotime}
thermo_modify lost ignore norm no
compute_modify thermo_temp dynamic yes

# *** Restart - write ***

restart ${restarttime} restart

# *** Run - 01 - Insert particles ***

fix insC nve_group pour/dev/packing 1 distributiontemplate pddC vol ${alpha} ${Nattemps} vel uniform 0 0 0 0 ${velZ} region bcC
fix insB nve_group pour/dev/packing 1 distributiontemplate pddB vol ${alpha} ${Nattemps} vel uniform 0 0 0 0 ${velZ} region bcB
fix insA nve_group pour/dev/packing 1 distributiontemplate pddA vol ${alpha} ${Nattemps} vel uniform 0 0 0 0 ${velZ} region bcA
run 1
unfix insC
unfix insB
unfix insA
run 175000

# *** Run - 02 - Insert cad ***

fix cad1 all mesh/gran/stressanalysis penetrometro_z80.stl 1 0.001 0. 0. 0. 0. 0. 0.
fix granwalls all wall/gran/hertz/history ${fr_c} ${co_c} mesh/gran 1 cad1
run 25000

# *** Run - 03 - Move cad ***

#compute 2 all com # if used here, it will work
#fix 2_store_coord all store/coord

dump dmp all custom ${dumptime} post/dump.penetrometroModel_3_move id type type x y z ix iy iz vx vy vz fx fy fz omegax omegay omegaz radius f_2_store_coord[1] f_2_store_coord[2] f_2_store_coord[3]
dump dumpPenetrografo all mesh/gran/VTK ${dumptime} post/penetrometro_3_move*.vtk stress cad1
fix forceOnMesh all ave/time ${Nevery} ${Nrepeat} ${Nfreq} f_cad1[1] f_cad1[2] f_cad1[3] file forces.dat

fix movecad1 all move/mesh/gran linear 0.0 0.0 ${movecadvel} cad1 1
run ${movecadtime}
unfix movecad1

# *** End of file ***

Andrea