release on 2014-07-04_09-37-38
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#Particle packing by insertion and successive growing of particles
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atom_style granular
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atom_modify map array
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boundary m m m
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newton off
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echo both
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communicate single vel yes
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units si
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processors 1 1 2
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region reg block 0. 0.1 0. 0.1 0. 1.1 units box
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create_box 1 reg
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neighbor 0.002 bin
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neigh_modify delay 0
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#Material properties required for new pair styles
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fix m1 all property/global youngsModulus peratomtype 5.e6
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fix m2 all property/global poissonsRatio peratomtype 0.45
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fix m3 all property/global coefficientRestitution peratomtypepair 1 0.3
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fix m4 all property/global coefficientFriction peratomtypepair 1 0.5
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#New pair style
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pair_style gran model hertz tangential history #Hertzian without cohesion
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pair_coeff * *
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timestep 0.00001
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#walls
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fix xwalls1 all wall/gran model hertz tangential history primitive type 1 xplane 0.
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fix xwalls2 all wall/gran model hertz tangential history primitive type 1 xplane 0.1
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fix ywalls1 all wall/gran model hertz tangential history primitive type 1 yplane 0.
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fix ywalls2 all wall/gran model hertz tangential history primitive type 1 yplane 0.1
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fix zwalls1 all wall/gran model hertz tangential history primitive type 1 zplane 0.
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fix zwalls2 all wall/gran model hertz tangential history primitive type 1 zplane 1.1
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fix gravi all gravity 9.81 vector 0.0 0.0 -1.0
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#heat transfer
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fix ftco all property/global thermalConductivity peratomtype 5.
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fix ftca all property/global thermalCapacity peratomtype 10.
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fix heattransfer all heat/gran initial_temperature 263.
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#particle distributions and insertion
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region bc block 0. 0.1 0. 0.1 0. 1.1 units box
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fix pts1 all particletemplate/sphere 1 atom_type 1 density constant 2500 radius constant 0.011
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fix pdd1 all particledistribution/discrete 1. 1 pts1 1.0
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fix ins all insert/pack seed 100001 distributiontemplate pdd1 vel constant 0. 0. -3. insert_every 10000 overlapcheck yes all_in yes particles_in_region 1005 region bc
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#apply nve integration to all particles that are inserted as single particles
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fix integr all nve/sphere
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#output settings, include total thermal energy
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compute 1 all erotate/sphere
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thermo_style custom step atoms ke c_1 f_heattransfer vol
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thermo 1000
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thermo_modify lost ignore norm no
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compute_modify thermo_temp dynamic yes
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#insert the first particles
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run 1
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dump dmp all custom 1000 post/dump.packing id type type x y z ix iy iz vx vy vz fx fy fz omegax omegay omegaz radius f_heattransfer[0] f_heatFlux[0]
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run 150000
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write_restart liggghts.restart
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