diff --git a/tutorials/cfdemPostproc/fillCylinder/DEM/in.liggghts_init b/tutorials/cfdemPostproc/fillCylinder/DEM/in.liggghts_init index 164b5eb6..03618065 100644 --- a/tutorials/cfdemPostproc/fillCylinder/DEM/in.liggghts_init +++ b/tutorials/cfdemPostproc/fillCylinder/DEM/in.liggghts_init @@ -1,65 +1,64 @@ -# Pour granular particles into chute container, then induce flow -echo both -atom_style granular -atom_modify map array -communicate single vel yes +# Fill granular particles into a cylinder +echo both +atom_style granular +atom_modify map array +communicate single vel yes -boundary m m m -newton off +boundary m m m +newton off -units si +units si -region reg block -0.015 0.015 -0.015 0.015 -0.001 0.0554 units box -create_box 1 reg +region reg block -0.015 0.015 -0.015 0.015 -0.001 0.0554 units box +create_box 1 reg -neighbor 0.001 bin -neigh_modify delay 0 +neighbor 0.001 bin +neigh_modify delay 0 -#Material properties required for new pair styles +#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 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 #pair style -pair_style gran model hertz tangential history -pair_coeff * * +pair_style gran model hertz tangential history +pair_coeff * * #timestep, gravity -timestep 0.00001 -fix gravi all gravity 9.81 vector 0.0 0.0 -1.0 +timestep 0.00001 +fix gravi all gravity 9.81 vector 0.0 0.0 -1.0 #walls -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 0.0553 -fix cylwalls all wall/gran model hertz tangential history primitive type 1 zcylinder 0.0138 0. 0. +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 0.0553 +fix cylwalls all wall/gran model hertz tangential history primitive type 1 zcylinder 0.0138 0. 0. #cfd coupling -#fix cfd all couple/cfd +#fix cfd all couple/cfd #particle insertion -region bc cylinder z 0.0 0.0 0.012 0.02 0.03 units box -fix pts1 all particletemplate/sphere 1 atom_type 1 density constant 200 radius constant 0.001 -fix pdd1 all particledistribution/discrete 1. 1 pts1 1.0 +region bc cylinder z 0.0 0.0 0.012 0.02 0.03 units box +fix pts1 all particletemplate/sphere 1 atom_type 1 density constant 200 radius constant 0.001 +fix pdd1 all particledistribution/discrete 1. 1 pts1 1.0 -fix ins all insert/pack seed 100001 distributiontemplate pdd1 vel constant 0. 0. -1. insert_every once overlapcheck yes all_in yes particles_in_region 1000 region bc +fix ins all insert/pack seed 100001 distributiontemplate pdd1 vel constant 0. 0. -1. insert_every once overlapcheck yes all_in yes particles_in_region 1000 region bc #apply nve integration to all particles that are inserted as single particles -fix integr all nve/sphere +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 +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 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 +dump dmp all custom 1000 post/dump.liggghts_init id type x y z vx vy vz fx fy fz omegax omegay omegaz radius -run 3000 upto -#write_restart liggghts.restart +run 3000 upto diff --git a/tutorials/cfdemSolverIB/twoSpheresGlowinskiMPI/DEM/in.liggghts_run b/tutorials/cfdemSolverIB/twoSpheresGlowinskiMPI/DEM/in.liggghts_run index c74a4952..f33dc33b 100644 --- a/tutorials/cfdemSolverIB/twoSpheresGlowinskiMPI/DEM/in.liggghts_run +++ b/tutorials/cfdemSolverIB/twoSpheresGlowinskiMPI/DEM/in.liggghts_run @@ -19,8 +19,7 @@ neighbor 0.3 bin neigh_modify delay 0 binsize 0.01 -# Material properties required for new pair styles - +# Material properties required for granular pair styles fix m1 all property/global youngsModulus peratomtype 5.e7 fix m2 all property/global poissonsRatio peratomtype 0.45 fix m3 all property/global coefficientRestitution peratomtypepair 1 0.9 @@ -49,8 +48,8 @@ fix cfd2 all couple/cfd/force # create single partciles -create_atoms 1 single .5 .5 3.5 units box -create_atoms 1 single .5 .5 3.16 units box +create_atoms 1 single 0.5 0.5 3.5 units box +create_atoms 1 single 0.5 0.5 3.16 units box set atom 1 diameter 0.167 density 1.5 vx 0 vy 0 vz 0 set atom 2 diameter 0.167 density 1.5 vx 0 vy 0 vz 0 @@ -85,7 +84,7 @@ thermo_modify lost ignore norm no compute_modify thermo_temp dynamic yes # insert the first particles so that dump is not empty -dump dmp all custom 100 ../DEM/post/dump.liggghts_run id type x y z ix iy iz vx vy vz fx fy fz omegax omegay omegaz radius +dump dmp all custom 100 ../DEM/post/dump.liggghts_run id type x y z vx vy vz fx fy fz omegax omegay omegaz radius #force : f_couple_cfd[0] f_couple_cfd[1] f_couple_cfd[2] #node : f_couple_cfd[6] diff --git a/tutorials/cfdemSolverPiso/ErgunTestCG/DEM/in.liggghts_init b/tutorials/cfdemSolverPiso/ErgunTestCG/DEM/in.liggghts_init index 1df12c38..f98e5c8b 100644 --- a/tutorials/cfdemSolverPiso/ErgunTestCG/DEM/in.liggghts_init +++ b/tutorials/cfdemSolverPiso/ErgunTestCG/DEM/in.liggghts_init @@ -13,67 +13,67 @@ variable nPorg equal 71000 variable nPscal equal ${nPorg}/(${cg}*${cg}*${cg}) ####################################################### -atom_style granular -atom_modify map array -communicate single vel yes -coarsegraining ${cg} +atom_style granular +atom_modify map array +communicate single vel yes +coarsegraining ${cg} -boundary m m m -newton off +boundary m m m +newton off -units si -processors 2 2 1 +units si +processors 2 2 1 -region reg block -0.015 0.015 -0.015 0.015 -0.001 0.0554 units box -create_box 1 reg +region reg block -0.015 0.015 -0.015 0.015 -0.001 0.0554 units box +create_box 1 reg -neighbor 0.001 bin -neigh_modify delay 0 +neighbor 0.001 bin +neigh_modify delay 0 -#Material properties required for new pair styles +#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 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 #pair style -pair_style gran model hertz tangential history #Hertzian without cohesion -pair_coeff * * +pair_style gran model hertz tangential history +pair_coeff * * #timestep, gravity -timestep 0.00001 -fix gravi all gravity 9.81 vector 0.0 0.0 -1.0 +timestep 0.00001 +fix gravi all gravity 9.81 vector 0.0 0.0 -1.0 #walls -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 0.0553 +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 0.0553 fix cylwalls all wall/gran model hertz tangential history primitive type 1 zcylinder 0.01385 0. 0. #particle distributions and insertion -region bc cylinder z 0.0 0.0 0.012 0. 0.055 units box -fix pts1 all particletemplate/sphere 1 atom_type 1 density constant 7000 radius constant ${r0} -fix pdd1 all particledistribution/discrete 1. 1 pts1 1.0 +region bc cylinder z 0.0 0.0 0.012 0. 0.055 units box +fix pts1 all particletemplate/sphere 1 atom_type 1 density constant 7000 radius constant ${r0} +fix pdd1 all particledistribution/discrete 1 1 pts1 1.0 -fix ins all insert/pack seed 100001 distributiontemplate pdd1 vel constant 0. 0. -1. insert_every once overlapcheck yes all_in yes particles_in_region ${nPscal} region bc +fix ins all insert/pack seed 100001 distributiontemplate pdd1 vel constant 0. 0. -1. insert_every once overlapcheck yes all_in yes particles_in_region ${nPscal} region bc #apply nve integration to all particles that are inserted as single particles -fix integr all nve/sphere +fix integr all nve/sphere #screen output -compute 1 all erotate/sphere -thermo_style custom step atoms ke c_1 vol -thermo 1000 -thermo_modify lost ignore norm no -compute_modify thermo_temp dynamic yes +compute rke all erotate/sphere +thermo_style custom step atoms ke c_rke vol +thermo 1000 +thermo_modify lost ignore norm no +compute_modify thermo_temp dynamic yes #insert the first particles so that dump is not empty -run 1 -dump dmp all custom 5000 post/dump.liggghts_init id type type x y z ix iy iz vx vy vz fx fy fz omegax omegay omegaz radius +run 1 +dump dmp all custom 5000 post/dump.liggghts_init id type x y z vx vy vz fx fy fz omegax omegay omegaz radius #force : f_couple_cfd[0] f_couple_cfd[1] f_couple_cfd[2] #node : f_couple_cfd[6] #cell id : f_couple_cfd[7] -run 10000 upto -write_restart ./post/restart/liggghts.restart_coarseGraining_${cg} +run 10000 upto +write_restart ./post/restart/liggghts.restart_coarseGraining_${cg} diff --git a/tutorials/cfdemSolverPiso/ErgunTestCG/DEM/in.liggghts_run b/tutorials/cfdemSolverPiso/ErgunTestCG/DEM/in.liggghts_run index 01daac34..1e8273e9 100644 --- a/tutorials/cfdemSolverPiso/ErgunTestCG/DEM/in.liggghts_run +++ b/tutorials/cfdemSolverPiso/ErgunTestCG/DEM/in.liggghts_run @@ -14,70 +14,69 @@ variable nPorg equal 71000 variable nPscal equal ${nPorg}/(${cg}*${cg}*${cg}) ####################################################### -atom_style granular -atom_modify map array -communicate single vel yes -coarsegraining ${cg} +atom_style granular +atom_modify map array +communicate single vel yes +coarsegraining ${cg} -boundary m m m -newton off +boundary m m m +newton off -units si -processors 2 2 1 +units si +processors 2 2 1 #read the restart file -read_restart ../DEM/post/restart/liggghts.restart_coarseGraining_${cg} +read_restart ../DEM/post/restart/liggghts.restart_coarseGraining_${cg} #_coarseGraining_${cg} -neighbor 0.001 bin -neigh_modify delay 0 +neighbor 0.001 bin +neigh_modify delay 0 -#Material properties required for new pair styles +#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 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 #pair style -pair_style gran model hertz tangential history #Hertzian without cohesion -pair_coeff * * +pair_style gran model hertz tangential history #Hertzian without cohesion +pair_coeff * * #timestep, gravity -timestep 0.00001 -fix gravi all gravity 9.81 vector 0.0 0.0 -1.0 +timestep 0.00001 +fix gravi all gravity 9.81 vector 0.0 0.0 -1.0 #walls -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 0.0553 +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 0.0553 fix cylwalls all wall/gran model hertz tangential history primitive type 1 zcylinder 0.01385 0. 0. #cfd coupling -fix cfd all couple/cfd couple_every 100 mpi -fix cfd2 all couple/cfd/force #/implicit +fix cfd all couple/cfd couple_every 100 mpi +fix cfd2 all couple/cfd/force #/implicit #apply nve integration to all particles that are inserted as single particles -fix integr all nve/sphere +fix integr all nve/sphere #center of mass compute centerOfMass all com #compute total dragforce -#compute dragtotal all reduce sum f_dragforce[1] f_dragforce[2] f_dragforce[3] +#compute dragtotal all reduce sum f_dragforce[1] f_dragforce[2] f_dragforce[3] #screen output -compute 1 all erotate/sphere -thermo_style custom step atoms ke c_1 vol c_centerOfMass[3] #c_dragtotal[1] c_dragtotal[2] c_dragtotal[3] -thermo 10 -thermo_modify lost ignore norm no -compute_modify thermo_temp dynamic yes +compute rke all erotate/sphere +thermo_style custom step atoms ke c_rke vol c_centerOfMass[3] #c_dragtotal[1] c_dragtotal[2] c_dragtotal[3] +thermo 10 +thermo_modify lost ignore norm no +compute_modify thermo_temp dynamic yes #insert the first particles so that dump is not empty -dump myDump all stl 1 post/dump_*.stl -#run 1 -dump dmp all custom 1000 ../DEM/post/dump*.liggghts_restart id type type x y z vx vy vz fx fy fz radius #f_dragforce[1] f_dragforce[2] f_dragforce[3] -undump myDump +dump myDump all stl 1 post/dump_*.stl +dump dmp all custom 1000 ../DEM/post/dump*.liggghts_restart id type x y z vx vy vz fx fy fz radius +undump myDump -run 1 +run 1 diff --git a/tutorials/cfdemSolverPiso/ErgunTestMPI/DEM/in.liggghts_init b/tutorials/cfdemSolverPiso/ErgunTestMPI/DEM/in.liggghts_init index 363df49c..c96f814f 100644 --- a/tutorials/cfdemSolverPiso/ErgunTestMPI/DEM/in.liggghts_init +++ b/tutorials/cfdemSolverPiso/ErgunTestMPI/DEM/in.liggghts_init @@ -1,4 +1,4 @@ -# Pour granular particles into chute container, then induce flow +# Pour granular particles into a cylinder, then induce flow echo both atom_style granular atom_modify map array @@ -24,7 +24,7 @@ fix m3 all property/global coefficientRestitution peratomtypepair 1 0.3 fix m4 all property/global coefficientFriction peratomtypepair 1 0.5 # pair style -pair_style gran model hertz tangential history # Hertzian without cohesion +pair_style gran model hertz tangential history pair_coeff * * # timestep, gravity @@ -55,7 +55,7 @@ compute_modify thermo_temp dynamic yes # insert the first particles so that dump is not empty run 1 -dump dmp all custom 5000 post/dump.liggghts_init id type x y z ix iy iz vx vy vz fx fy fz omegax omegay omegaz radius +dump dmp all custom 5000 post/dump.liggghts_init id type x y z vx vy vz fx fy fz omegax omegay omegaz radius #force : f_couple_cfd[0] f_couple_cfd[1] f_couple_cfd[2] #node : f_couple_cfd[6] #cell id : f_couple_cfd[7] diff --git a/tutorials/cfdemSolverPiso/ErgunTestMPI/DEM/in.liggghts_run b/tutorials/cfdemSolverPiso/ErgunTestMPI/DEM/in.liggghts_run index 2d498630..1d1306d0 100644 --- a/tutorials/cfdemSolverPiso/ErgunTestMPI/DEM/in.liggghts_run +++ b/tutorials/cfdemSolverPiso/ErgunTestMPI/DEM/in.liggghts_run @@ -1,4 +1,4 @@ -# Pour granular particles into chute container, then induce flow +# Pour granular particles into a cylinder, then induce flow log ../DEM/log.liggghts thermo_log ../DEM/post/thermo.txt @@ -26,7 +26,7 @@ fix m3 all property/global coefficientRestitution peratomtypepair 1 0.3 fix m4 all property/global coefficientFriction peratomtypepair 1 0.5 # pair style -pair_style gran model hertz tangential history # Hertzian without cohesion +pair_style gran model hertz tangential history pair_coeff * * # timestep, gravity @@ -34,8 +34,8 @@ timestep 0.00001 fix gravi all gravity 9.81 vector 0.0 0.0 -1.0 # walls -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 0.0553 +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 0.0553 fix cylwalls all wall/gran model hertz tangential history primitive type 1 zcylinder 0.01385 0. 0. # change the particles density @@ -63,6 +63,6 @@ thermo 10 thermo_modify lost ignore norm no compute_modify thermo_temp dynamic yes -dump dmp all custom 5000 ../DEM/post/dump*.liggghts_run id type x y z vx vy vz fx fy fz f_dragforce[1] f_dragforce[2] f_dragforce[3] radius +dump dmp all custom 5000 ../DEM/post/dump*.liggghts_run id type x y z vx vy vz fx fy fz f_dragforce[1] f_dragforce[2] f_dragforce[3] radius run 1 diff --git a/tutorials/cfdemSolverPiso/ErgunTestMPI_cgs/DEM/in.liggghts_init b/tutorials/cfdemSolverPiso/ErgunTestMPI_cgs/DEM/in.liggghts_init index dbb6f114..9bdba7f9 100644 --- a/tutorials/cfdemSolverPiso/ErgunTestMPI_cgs/DEM/in.liggghts_init +++ b/tutorials/cfdemSolverPiso/ErgunTestMPI_cgs/DEM/in.liggghts_init @@ -1,4 +1,4 @@ -# Pour granular particles into chute container, then induce flow +# Pour granular particles into a cylinder, then induce flow echo both atom_style granular atom_modify map array @@ -24,7 +24,7 @@ fix m3 all property/global coefficientRestitution peratomtypepair 1 0.3 fix m4 all property/global coefficientFriction peratomtypepair 1 0.5 # pair style -pair_style gran model hertz tangential history # Hertzian without cohesion +pair_style gran model hertz tangential history pair_coeff * * # timestep, gravity @@ -55,7 +55,7 @@ compute_modify thermo_temp dynamic yes # insert the first particles so that dump is not empty run 1 -dump dmp all custom 5000 post/dump.liggghts_init id type x y z ix iy iz vx vy vz fx fy fz omegax omegay omegaz radius +dump dmp all custom 5000 post/dump.liggghts_init id type x y z vx vy vz fx fy fz omegax omegay omegaz radius #force : f_couple_cfd[0] f_couple_cfd[1] f_couple_cfd[2] #node : f_couple_cfd[6] #cell id : f_couple_cfd[7] diff --git a/tutorials/cfdemSolverPiso/ErgunTestMPI_cgs/DEM/in.liggghts_run b/tutorials/cfdemSolverPiso/ErgunTestMPI_cgs/DEM/in.liggghts_run index 1eeccc1c..747257d0 100644 --- a/tutorials/cfdemSolverPiso/ErgunTestMPI_cgs/DEM/in.liggghts_run +++ b/tutorials/cfdemSolverPiso/ErgunTestMPI_cgs/DEM/in.liggghts_run @@ -1,4 +1,4 @@ -# Pour granular particles into chute container, then induce flow +# Pour granular particles into a cylinder, then induce flow log ../DEM/log.liggghts thermo_log ../DEM/post/thermo.txt @@ -26,7 +26,7 @@ fix m3 all property/global coefficientRestitution peratomtypepair 1 0.3 fix m4 all property/global coefficientFriction peratomtypepair 1 0.5 # pair style -pair_style gran model hertz tangential history # Hertzian without cohesion +pair_style gran model hertz tangential history pair_coeff * * # timestep, gravity @@ -61,6 +61,6 @@ thermo 10 thermo_modify lost ignore norm no compute_modify thermo_temp dynamic yes -dump dmp all custom 5000 ../DEM/post/dump*.liggghts_run id type x y z vx vy vz fx fy fz f_dragforce[1] f_dragforce[2] f_dragforce[3] radius +dump dmp all custom 5000 ../DEM/post/dump*.liggghts_run id type x y z vx vy vz fx fy fz f_dragforce[1] f_dragforce[2] f_dragforce[3] radius run 1 diff --git a/tutorials/cfdemSolverPiso/ErgunTestMPI_restart/DEM/in.liggghts_init b/tutorials/cfdemSolverPiso/ErgunTestMPI_restart/DEM/in.liggghts_init index 5f28012f..25b5ad11 100644 --- a/tutorials/cfdemSolverPiso/ErgunTestMPI_restart/DEM/in.liggghts_init +++ b/tutorials/cfdemSolverPiso/ErgunTestMPI_restart/DEM/in.liggghts_init @@ -1,4 +1,4 @@ -# Pour granular particles into chute container, then induce flow +# Pour granular particles into a cylinder, then induce flow echo both atom_style granular atom_modify map array @@ -24,7 +24,7 @@ fix m3 all property/global coefficientRestitution peratomtypepair 1 0.3 fix m4 all property/global coefficientFriction peratomtypepair 1 0.5 # pair style -pair_style gran model hertz tangential history # Hertzian without cohesion +pair_style gran model hertz tangential history pair_coeff * * # timestep, gravity @@ -32,8 +32,8 @@ timestep 0.00001 fix gravi all gravity 9.81 vector 0.0 0.0 -1.0 # walls -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 0.0553 +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 0.0553 fix cylwalls all wall/gran model hertz tangential history primitive type 1 zcylinder 0.01385 0. 0. # particle distributions and insertion @@ -55,7 +55,7 @@ compute_modify thermo_temp dynamic yes # insert the first particles so that dump is not empty run 1 -dump dmp all custom 5000 post/dump.liggghts_init id type x y z ix iy iz vx vy vz fx fy fz omegax omegay omegaz radius +dump dmp all custom 5000 post/dump.liggghts_init id type x y z vx vy vz fx fy fz omegax omegay omegaz radius #force : f_couple_cfd[0] f_couple_cfd[1] f_couple_cfd[2] #node : f_couple_cfd[6] #cell id : f_couple_cfd[7] diff --git a/tutorials/cfdemSolverPiso/ErgunTestMPI_restart/DEM/in.liggghts_restart b/tutorials/cfdemSolverPiso/ErgunTestMPI_restart/DEM/in.liggghts_restart index 251ce3e7..89de5c67 100644 --- a/tutorials/cfdemSolverPiso/ErgunTestMPI_restart/DEM/in.liggghts_restart +++ b/tutorials/cfdemSolverPiso/ErgunTestMPI_restart/DEM/in.liggghts_restart @@ -1,4 +1,4 @@ -# Pour granular particles into chute container, then induce flow +# Pour granular particles into a cylinder, then induce flow log ../DEM/log.liggghts thermo_log ../DEM/post/thermo.txt @@ -26,7 +26,7 @@ fix m3 all property/global coefficientRestitution peratomtypepair 1 0.3 fix m4 all property/global coefficientFriction peratomtypepair 1 0.5 # pair style -pair_style gran model hertz tangential history # Hertzian without cohesion +pair_style gran model hertz tangential history pair_coeff * * # timestep, gravity @@ -60,6 +60,6 @@ thermo 10 thermo_modify lost ignore norm no compute_modify thermo_temp dynamic yes -dump dmp all custom 5000 ../DEM/post/dump*.liggghts_restart id type x y z vx vy vz fx fy fz f_dragforce[1] f_dragforce[2] f_dragforce[3] radius +dump dmp all custom 5000 ../DEM/post/dump*.liggghts_restart id type x y z vx vy vz fx fy fz f_dragforce[1] f_dragforce[2] f_dragforce[3] radius run 1 diff --git a/tutorials/cfdemSolverPiso/ErgunTestMPI_restart/DEM/in.liggghts_run b/tutorials/cfdemSolverPiso/ErgunTestMPI_restart/DEM/in.liggghts_run index 1a1d48ce..d0e45708 100644 --- a/tutorials/cfdemSolverPiso/ErgunTestMPI_restart/DEM/in.liggghts_run +++ b/tutorials/cfdemSolverPiso/ErgunTestMPI_restart/DEM/in.liggghts_run @@ -1,4 +1,4 @@ -# Pour granular particles into chute container, then induce flow +# Pour granular particles into a cylinder, then induce flow log ../DEM/log.liggghts thermo_log ../DEM/post/thermo.txt @@ -26,7 +26,7 @@ fix m3 all property/global coefficientRestitution peratomtypepair 1 0.3 fix m4 all property/global coefficientFriction peratomtypepair 1 0.5 # pair style -pair_style gran model hertz tangential history # Hertzian without cohesion +pair_style gran model hertz tangential history pair_coeff * * # timestep, gravity @@ -60,6 +60,6 @@ thermo 10 thermo_modify lost ignore norm no compute_modify thermo_temp dynamic yes -dump dmp all custom 5000 ../DEM/post/dump*.liggghts_restart id type x y z vx vy vz fx fy fz f_dragforce[1] f_dragforce[2] f_dragforce[3] radius +dump dmp all custom 5000 ../DEM/post/dump*.liggghts_restart id type x y z vx vy vz fx fy fz f_dragforce[1] f_dragforce[2] f_dragforce[3] radius run 1 diff --git a/tutorials/cfdemSolverPiso/settlingTestMPI/DEM/in.liggghts_run b/tutorials/cfdemSolverPiso/settlingTestMPI/DEM/in.liggghts_run index e0d3326b..1903158e 100644 --- a/tutorials/cfdemSolverPiso/settlingTestMPI/DEM/in.liggghts_run +++ b/tutorials/cfdemSolverPiso/settlingTestMPI/DEM/in.liggghts_run @@ -27,7 +27,7 @@ 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_style gran model hertz tangential history pair_coeff * * # timestep, gravity @@ -68,6 +68,6 @@ 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 +dump dmp all custom 1000 ../DEM/post/dump.liggghts_run id type x y z vx vy vz fx fy fz omegax omegay omegaz radius run 1 upto diff --git a/tutorials/cfdemSolverPisoScalar/packedBedTemp/DEM/in.liggghts_init b/tutorials/cfdemSolverPisoScalar/packedBedTemp/DEM/in.liggghts_init index f739d162..f40681ff 100644 --- a/tutorials/cfdemSolverPisoScalar/packedBedTemp/DEM/in.liggghts_init +++ b/tutorials/cfdemSolverPisoScalar/packedBedTemp/DEM/in.liggghts_init @@ -1,4 +1,4 @@ -# Particle packing by insertion and successive growing of particles +# heattransfer in packed bed atom_style granular atom_modify map array @@ -26,7 +26,7 @@ fix m3 all property/global coefficientRestitution peratomtypepair 1 0.3 fix m4 all property/global coefficientFriction peratomtypepair 1 0.5 # pair style -pair_style gran model hertz tangential history #Hertzian without cohesion +pair_style gran model hertz tangential history pair_coeff * * timestep 0.00001 @@ -65,7 +65,7 @@ compute_modify thermo_temp dynamic yes #insert the first particles run 1 -dump dmp all custom 1000 post/dump.liggghts_init id type x y z ix iy iz vx vy vz fx fy fz omegax omegay omegaz radius f_heattransfer[0] f_heatFlux[0] +dump dmp all custom 1000 post/dump.liggghts_init id type x y z vx vy vz fx fy fz omegax omegay omegaz radius f_heattransfer[0] f_heatFlux[0] run 150000 diff --git a/tutorials/cfdemSolverPisoScalar/packedBedTemp/DEM/in.liggghts_run b/tutorials/cfdemSolverPisoScalar/packedBedTemp/DEM/in.liggghts_run index 7350ff11..9eb8fcbc 100644 --- a/tutorials/cfdemSolverPisoScalar/packedBedTemp/DEM/in.liggghts_run +++ b/tutorials/cfdemSolverPisoScalar/packedBedTemp/DEM/in.liggghts_run @@ -70,6 +70,6 @@ thermo 1000 thermo_modify lost ignore norm no compute_modify thermo_temp dynamic yes -dump dmp all custom 100 ../DEM/post/dump.liggghts_run id type x y z ix iy iz vx vy vz fx fy fz omegax omegay omegaz radius f_Temp[0] f_heatFlux[0] +dump dmp all custom 100 ../DEM/post/dump.liggghts_run id type x y z vx vy vz fx fy fz omegax omegay omegaz radius f_Temp[0] f_heatFlux[0] run 1 diff --git a/tutorials/cfdemSolverRhoPimple/ErgunTestMPI/DEM/in.liggghts_init b/tutorials/cfdemSolverRhoPimple/ErgunTestMPI/DEM/in.liggghts_init index 363df49c..c96f814f 100644 --- a/tutorials/cfdemSolverRhoPimple/ErgunTestMPI/DEM/in.liggghts_init +++ b/tutorials/cfdemSolverRhoPimple/ErgunTestMPI/DEM/in.liggghts_init @@ -1,4 +1,4 @@ -# Pour granular particles into chute container, then induce flow +# Pour granular particles into a cylinder, then induce flow echo both atom_style granular atom_modify map array @@ -24,7 +24,7 @@ fix m3 all property/global coefficientRestitution peratomtypepair 1 0.3 fix m4 all property/global coefficientFriction peratomtypepair 1 0.5 # pair style -pair_style gran model hertz tangential history # Hertzian without cohesion +pair_style gran model hertz tangential history pair_coeff * * # timestep, gravity @@ -55,7 +55,7 @@ compute_modify thermo_temp dynamic yes # insert the first particles so that dump is not empty run 1 -dump dmp all custom 5000 post/dump.liggghts_init id type x y z ix iy iz vx vy vz fx fy fz omegax omegay omegaz radius +dump dmp all custom 5000 post/dump.liggghts_init id type x y z vx vy vz fx fy fz omegax omegay omegaz radius #force : f_couple_cfd[0] f_couple_cfd[1] f_couple_cfd[2] #node : f_couple_cfd[6] #cell id : f_couple_cfd[7] diff --git a/tutorials/cfdemSolverRhoPimple/ErgunTestMPI/DEM/in.liggghts_run b/tutorials/cfdemSolverRhoPimple/ErgunTestMPI/DEM/in.liggghts_run index 77943bd6..65262c53 100644 --- a/tutorials/cfdemSolverRhoPimple/ErgunTestMPI/DEM/in.liggghts_run +++ b/tutorials/cfdemSolverRhoPimple/ErgunTestMPI/DEM/in.liggghts_run @@ -1,4 +1,4 @@ -# Pour granular particles into chute container, then induce flow +# Pour granular particles into a cylinder, then induce flow log ../DEM/log.liggghts thermo_log ../DEM/post/thermo.txt @@ -40,7 +40,7 @@ fix cylwalls all wall/gran model hertz tangential history primitive type # heat transfer fix ftco all property/global thermalConductivity peratomtype 1. # lambda in [W/(K*m)] -fix ftca all property/global thermalCapacity peratomtype 1000. # cp in [J/(kg*K)] +fix ftca all property/global thermalCapacity peratomtype 1000. # cp in [J/(kg*K)] fix heattransfer all heat/gran initial_temperature 300. # set particle temperature for the bed @@ -54,7 +54,7 @@ set group all density 2000 # cfd coupling fix cfd all couple/cfd couple_every 25 mpi fix cfd2 all couple/cfd/force/implicit -fix cfd3 all couple/cfd/convection T0 300 +fix cfd3 all couple/cfd/convection T0 300 # apply nve integration to all particles that are inserted as single particles fix integr all nve/sphere @@ -72,6 +72,6 @@ thermo 10 thermo_modify lost ignore norm no compute_modify thermo_temp dynamic yes -dump dmp all custom/vtk 10000 ../DEM/post/dump*.liggghts_run.vtk id type radius x y z vx vy vz fx fy fz f_dragforce[1] f_dragforce[2] f_dragforce[3] f_Temp[0] +dump dmp all custom/vtk 10000 ../DEM/post/dump*.liggghts_run.vtk id type radius x y z vx vy vz fx fy fz f_dragforce[1] f_dragforce[2] f_dragforce[3] f_Temp[0] run 1 diff --git a/tutorials/cfdemSolverRhoPimple/FinesColumn/DEM/in.liggghts_init b/tutorials/cfdemSolverRhoPimple/FinesColumn/DEM/in.liggghts_init index 9a96a2a4..e58ceab5 100755 --- a/tutorials/cfdemSolverRhoPimple/FinesColumn/DEM/in.liggghts_init +++ b/tutorials/cfdemSolverRhoPimple/FinesColumn/DEM/in.liggghts_init @@ -1,19 +1,19 @@ -# Pour granular particles into chute container, then induce flow +# Pour granular particles into a cylinder, then induce flow ############################################### #variables # DEM-parameters -variable partDens equal 1732 # density -variable partRad equal 0.00184 # particle radius +variable partDens equal 1732 # density +variable partRad equal 0.00184 # particle radius variable partVol equal 4*3.14/3*${partRad}^3 -variable yM equal 5.e6 # Young's modulus -variable pR equal 0.25 # Poisson ratio -variable rest equal 0.66 # coefficient of restitution -variable fric equal 0.95 # coefficient of friction -variable roll equal 0.15 # for particles and walls with friction -variable noRoll equal 0 # for frictionless walls -variable cV equal 0.1 # characteristic velocity +variable yM equal 5.e6 # Young's modulus +variable pR equal 0.25 # Poisson ratio +variable rest equal 0.66 # coefficient of restitution +variable fric equal 0.95 # coefficient of friction +variable roll equal 0.15 # for particles and walls with friction +variable noRoll equal 0 # for frictionless walls +variable cV equal 0.1 # characteristic velocity # Geometry variable cylrad equal 0.05 @@ -22,7 +22,7 @@ variable fillV equal ${fillH}*${cylrad}^2*3.14 variable nPart equal ceil(${fillV}*0.7/${partVol}) #variable nPart equal 1 -#variable partDens equal 1.13 # density +#variable partDens equal 1.13 # density variable dt equal 0.00005 variable skin equal 0.005 @@ -33,39 +33,39 @@ variable skin equal 0.005 variable vthre equal 0.0005 ############################################### -atom_style granular -atom_modify map array -communicate single vel yes +atom_style granular +atom_modify map array +communicate single vel yes -boundary f f f -newton off -units si +boundary f f f +newton off +units si processors 1 1 4 -region reg block -${cylrad} ${cylrad} -${cylrad} ${cylrad} 0.0 0.9 units box -create_box 1 reg +region reg block -${cylrad} ${cylrad} -${cylrad} ${cylrad} 0.0 0.9 units box +create_box 1 reg -neighbor 0.001 bin -neigh_modify delay 0 +neighbor 0.001 bin +neigh_modify delay 0 -#Material properties required for new pair styles +#Material properties required for granular pair styles -fix m1 all property/global youngsModulus peratomtype ${yM} -fix m2 all property/global poissonsRatio peratomtype ${pR} -fix m3 all property/global coefficientRestitution peratomtypepair 1 ${rest} -fix m4 all property/global coefficientFriction peratomtypepair 1 ${fric} +fix m1 all property/global youngsModulus peratomtype ${yM} +fix m2 all property/global poissonsRatio peratomtype ${pR} +fix m3 all property/global coefficientRestitution peratomtypepair 1 ${rest} +fix m4 all property/global coefficientFriction peratomtypepair 1 ${fric} fix m5 all property/global coefficientRollingFriction peratomtypepair 1 ${roll} fix m6 all property/global characteristicVelocity scalar ${cV} #pair style -pair_style gran model hertz tangential history rolling_friction cdt +pair_style gran model hertz tangential history rolling_friction cdt pair_coeff * * #timestep, gravity timestep ${dt} fix gravi all gravity 9.81 vector 0.0 0.0 -1.0 -fix zwall all wall/gran model hertz tangential history primitive type 1 zplane 0.0 +fix zwall all wall/gran model hertz tangential history primitive type 1 zplane 0.0 fix cylwalls all wall/gran model hertz tangential history primitive type 1 zcylinder ${cylrad} 0. 0. fix pts1 all particletemplate/sphere 1 atom_type 1 density constant ${partDens} radius constant ${partRad} @@ -73,20 +73,20 @@ fix pdd1 all particledistribution/discrete 1.0 1 pts1 1.0 region insReg cylinder z 0. 0. ${cylrad} 0.5 0.9 units box -fix ins all insert/rate/region seed 1001 distributiontemplate pdd1 nparticles ${nPart} particlerate 10000 insert_every 1000 vel constant 0. 0. -0.1 overlapcheck yes all_in yes region insReg ntry_mc 10000 +fix ins all insert/rate/region seed 1001 distributiontemplate pdd1 nparticles ${nPart} particlerate 10000 insert_every 1000 vel constant 0. 0. -0.1 overlapcheck yes all_in yes region insReg ntry_mc 10000 -#fix loadBalancing all balance 10000 z 10 1.05 +#fix loadBalancing all balance 10000 z 10 1.05 -fix integr all nve/sphere +fix integr all nve/sphere -fix ts_check all check/timestep/gran 10000 0.1 0.1 +fix ts_check all check/timestep/gran 10000 0.1 0.1 #screen output -compute 1 all erotate/sphere -thermo_style custom step atoms ke c_1 vol -thermo 10000 -thermo_modify lost ignore norm no -compute_modify thermo_temp dynamic yes +compute rke all erotate/sphere +thermo_style custom step atoms ke c_rke vol +thermo 10000 +thermo_modify lost ignore norm no +compute_modify thermo_temp dynamic yes #====================================================================== #- settling @@ -98,14 +98,14 @@ variable vcmz equal vcm(all,z) variable vave equal sqrt(v_vcmx*v_vcmx+v_vcmy*v_vcmy+v_vcmz*v_vcmz) print ${vave} -dump dmp1 all custom/vtk 20000 ../DEM/post/dump*.liggghts_filling.vtk id type type x y z vx vy vz fx fy fz radius +dump dmp1 all custom/vtk 20000 ../DEM/post/dump*.liggghts_filling.vtk id type x y z vx vy vz fx fy fz radius run 200000 label loop print "-----> Checking Velocity..." if "${vave}<${vthre}" then "jump in.liggghts_init endloop" - print "-----> v ave ${vave}, v threshold ${vthre}, continuing run" + print "-----> v ave ${vave}, v threshold ${vthre}, continuing run" run 10000 jump in.liggghts_init loop @@ -117,7 +117,7 @@ label endloop region delReg block -${cylrad} ${cylrad} -${cylrad} ${cylrad} ${fillH} INF units box run 1 every 1 "delete_atoms region delReg" -#write_restart liggghts.restart.prelim +#write_restart liggghts.restart.prelim run 10000 -write_restart liggghts.restart_${partRad} +write_restart liggghts.restart_${partRad} print "everything done" diff --git a/tutorials/cfdemSolverRhoPimple/FinesColumn/DEM/in.liggghts_resume b/tutorials/cfdemSolverRhoPimple/FinesColumn/DEM/in.liggghts_resume index 702124ed..1508cda5 100755 --- a/tutorials/cfdemSolverRhoPimple/FinesColumn/DEM/in.liggghts_resume +++ b/tutorials/cfdemSolverRhoPimple/FinesColumn/DEM/in.liggghts_resume @@ -1,18 +1,18 @@ -# Pour granular particles into chute container, then induce flow +# Pour granular particles into a cylinder, then induce flow #variables # DEM-parameters -variable partDens equal 1732 # density -variable partRad equal 0.00184 # particle radius +variable partDens equal 1732 # density +variable partRad equal 0.00184 # particle radius variable partVol equal 4*3.14/3*${partRad}^3 -variable yM equal 5.e6 # Young's modulus -variable pR equal 0.25 # Poisson ratio -variable rest equal 0.66 # coefficient of restitution -variable fric equal 0.95 # coefficient of friction -variable roll equal 0.15 # for particles and walls with friction -variable noRoll equal 0 # for frictionless walls -variable cV equal 0.1 # characteristic velocity +variable yM equal 5.e6 # Young's modulus +variable pR equal 0.25 # Poisson ratio +variable rest equal 0.66 # coefficient of restitution +variable fric equal 0.95 # coefficient of friction +variable roll equal 0.15 # for particles and walls with friction +variable noRoll equal 0 # for frictionless walls +variable cV equal 0.1 # characteristic velocity variable Tpart equal 293 # Geometry @@ -24,73 +24,72 @@ variable skin equal 0.005 -atom_style granular -atom_modify map array -communicate single vel yes +atom_style granular +atom_modify map array +communicate single vel yes -boundary f f f -newton off -units si +boundary f f f +newton off +units si processors 1 1 4 -read_restart ../DEM/liggghts.restart_${partRad} -reset_timestep 0 +read_restart ../DEM/liggghts.restart_${partRad} +reset_timestep 0 -neighbor 0.01 bin -neigh_modify delay 0 +neighbor 0.01 bin +neigh_modify delay 0 -#Material properties required for new pair styles -fix m1 all property/global youngsModulus peratomtype ${yM} -fix m2 all property/global poissonsRatio peratomtype ${pR} -fix m3 all property/global coefficientRestitution peratomtypepair 1 ${rest} -fix m4 all property/global coefficientFriction peratomtypepair 1 ${fric} +#Material properties required for granular pair styles +fix m1 all property/global youngsModulus peratomtype ${yM} +fix m2 all property/global poissonsRatio peratomtype ${pR} +fix m3 all property/global coefficientRestitution peratomtypepair 1 ${rest} +fix m4 all property/global coefficientFriction peratomtypepair 1 ${fric} fix m5 all property/global coefficientRollingFriction peratomtypepair 1 ${roll} fix m6 all property/global characteristicVelocity scalar ${cV} -fix ftco all property/global thermalConductivity peratomtype 1.4 -fix ftca all property/global thermalCapacity peratomtype 840. -fix heattransfer all heat/gran initial_temperature 293. +fix ftco all property/global thermalConductivity peratomtype 1.4 +fix ftca all property/global thermalCapacity peratomtype 840. +fix heattransfer all heat/gran initial_temperature 293. #pair style -pair_style gran model hertz tangential history rolling_friction cdt -pair_coeff * * +pair_style gran model hertz tangential history rolling_friction cdt +pair_coeff * * #timestep, gravity -timestep ${dt} +timestep ${dt} fix gravi all gravity 9.81 vector 0.0 0.0 -1.0 -fix zwall all wall/gran model hertz tangential history primitive type 1 zplane 0.0 +fix zwall all wall/gran model hertz tangential history primitive type 1 zplane 0.0 fix zwall_top all wall/gran model hertz tangential history primitive type 1 zplane 0.54 -fix cylwalls all wall/gran model hertz tangential history primitive type 1 zcylinder ${cylrad} 0. 0. +fix cylwalls all wall/gran model hertz tangential history primitive type 1 zcylinder ${cylrad} 0. 0. # change the particles density -# set group all density ${partDens} - +# set group all density ${partDens} fix lb all balance 1000 xyz 10 1.05 out tmp.balance #cfd coupling -fix cfd all couple/cfd couple_every 10 mpi -fix cfd2 all couple/cfd/force/implicit -fix cfd3 all couple/cfd/convection T0 ${Tpart} +fix cfd all couple/cfd couple_every 10 mpi +fix cfd2 all couple/cfd/force/implicit +fix cfd3 all couple/cfd/convection T0 ${Tpart} # freeze particles -#fix integr all nve/sphere +#fix integr all nve/sphere #screen output variable totmass equal mass(all) -compute 1 all erotate/sphere -thermo_style custom step atoms ke c_1 vol v_totmass -thermo 1000 -thermo_modify lost ignore norm no -compute_modify thermo_temp dynamic yes +compute rke all erotate/sphere +thermo_style custom step atoms ke c_rke vol v_totmass +thermo 1000 +thermo_modify lost ignore norm no +compute_modify thermo_temp dynamic yes #insert the first particles so that dump is not empty -dump dmp all custom/vtk 40000 ../DEM/post/dump*.liggghts_coupled.vtk id type x y z vx vy vz fx fy fz radius f_Temp[0] +dump dmp all custom/vtk 40000 ../DEM/post/dump*.liggghts_coupled.vtk id type x y z vx vy vz fx fy fz radius f_Temp[0] run 1