zhyang-dev/CFDEMcoupling-PFM
1
0
Fork 0
mirror of https://github.com/ParticulateFlow/CFDEMcoupling-PFM.git synced 2025-12-08 06:37:44 +00:00
Code Issues Actions Packages Projects Releases Wiki Activity

clean up LIGGGHTS scripts

Browse Source
This commit is contained in:
danielque
2017-08-31 10:05:19 +02:00
parent 006d9c7cd2
commit c7ee75839b
18 changed files with 237 additions and 241 deletions
Download Patch File Download Diff File Expand all files Collapse all files

11
tutorials/cfdemPostproc/fillCylinder/DEM/in.liggghts_init
View File

@ -1,4 +1,4 @@
# Pour granular particles into chute container, then induce flow
# Fill granular particles into a cylinder
echo both
atom_style granular
atom_modify map array
@ -16,7 +16,7 @@ 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
@ -51,15 +51,14 @@ fix integr all nve/sphere
#screen output
compute 1 all erotate/sphere
thermo_style custom step atoms ke c_1 vol
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
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

9
tutorials/cfdemSolverIB/twoSpheresGlowinskiMPI/DEM/in.liggghts_run
View File

@ -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]

12
tutorials/cfdemSolverPiso/ErgunTestCG/DEM/in.liggghts_init
View File

@ -31,7 +31,7 @@ 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
@ -39,7 +39,7 @@ 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
@ -54,7 +54,7 @@ fix cylwalls all wall/gran model hertz tangential history primitive type 1 zcyli
#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
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
@ -62,15 +62,15 @@ fix ins all insert/pack seed 100001 distributiontemplate pdd1 vel constant 0. 0
fix integr all nve/sphere
#screen output
compute 1 all erotate/sphere
thermo_style custom step atoms ke c_1 vol
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
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]

9
tutorials/cfdemSolverPiso/ErgunTestCG/DEM/in.liggghts_run
View File

@ -33,7 +33,7 @@ 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
@ -68,16 +68,15 @@ compute centerOfMass all com
#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]
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]
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

6
tutorials/cfdemSolverPiso/ErgunTestMPI/DEM/in.liggghts_init
View File

@ -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]

4
tutorials/cfdemSolverPiso/ErgunTestMPI/DEM/in.liggghts_run
View File

@ -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

6
tutorials/cfdemSolverPiso/ErgunTestMPI_cgs/DEM/in.liggghts_init
View File

@ -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]

4
tutorials/cfdemSolverPiso/ErgunTestMPI_cgs/DEM/in.liggghts_run
View File

@ -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

6
tutorials/cfdemSolverPiso/ErgunTestMPI_restart/DEM/in.liggghts_init
View File

@ -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]

4
tutorials/cfdemSolverPiso/ErgunTestMPI_restart/DEM/in.liggghts_restart
View File

@ -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

4
tutorials/cfdemSolverPiso/ErgunTestMPI_restart/DEM/in.liggghts_run
View File

@ -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

4
tutorials/cfdemSolverPiso/settlingTestMPI/DEM/in.liggghts_run
View File

@ -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

6
tutorials/cfdemSolverPisoScalar/packedBedTemp/DEM/in.liggghts_init
View File

@ -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

2
tutorials/cfdemSolverPisoScalar/packedBedTemp/DEM/in.liggghts_run
View File

@ -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

6
tutorials/cfdemSolverRhoPimple/ErgunTestMPI/DEM/in.liggghts_init
View File

@ -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]

2
tutorials/cfdemSolverRhoPimple/ErgunTestMPI/DEM/in.liggghts_run
View File

@ -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

10
tutorials/cfdemSolverRhoPimple/FinesColumn/DEM/in.liggghts_init
View File

@ -1,4 +1,4 @@
# Pour granular particles into chute container, then induce flow
# Pour granular particles into a cylinder, then induce flow
###############################################
#variables
@ -48,7 +48,7 @@ create_box 1 reg
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}
@ -82,8 +82,8 @@ fix integr all nve/sphere
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
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
@ -98,7 +98,7 @@ 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

9
tutorials/cfdemSolverRhoPimple/FinesColumn/DEM/in.liggghts_resume
View File

@ -1,4 +1,4 @@
# Pour granular particles into chute container, then induce flow
# Pour granular particles into a cylinder, then induce flow
#variables
@ -39,7 +39,7 @@ reset_timestep 0
neighbor 0.01 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}
@ -69,7 +69,6 @@ fix cylwalls all wall/gran model hertz tangential history primitive type 1 zcyli
# set group all density ${partDens}
fix lb all balance 1000 xyz 10 1.05 out tmp.balance
@ -84,8 +83,8 @@ fix cfd3 all couple/cfd/convection T0 ${Tpart}
#screen output
variable totmass equal mass(all)
compute 1 all erotate/sphere
thermo_style custom step atoms ke c_1 vol v_totmass
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