release on 2014-07-25_13-42-41

tutorials/cfdemSolverIB/twoSpheresGlowinskiMPI/DEM/in.liggghts_run

@@ -0,0 +1,95 @@
+#echo both
+log         ../DEM/log.liggghts
+thermo_log  ../DEM/post/thermo.txt
+
+atom_style      granular
+atom_modify     map array
+communicate     single vel yes
+
+boundary        f f f
+newton          off
+
+units           si
+processors      2 2 1
+
+region          reg block 0. 1. 0. 1. 0. 4. units box
+create_box      1 reg
+
+neighbor        0.3 bin
+neigh_modify    delay 0 binsize 0.01
+
+
+# Material properties required for new 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
+fix             m4 all property/global coefficientFriction peratomtypepair 1 0.5
+
+# pair style
+pair_style      gran model hertz tangential history #Hertzian without cohesion
+pair_coeff      * *
+
+# timestep, gravity
+timestep        0.00003
+
+fix             gravi all gravity 981 vector 0.0 0.0 -1.0
+
+# walls
+fix     xwalls1 all wall/gran model hertz tangential history primitive type 1 xplane 0.
+fix     xwalls2 all wall/gran model hertz tangential history primitive type 1 xplane 1.
+fix     ywalls1 all wall/gran model hertz tangential history primitive type 1 yplane 0.
+fix     ywalls2 all wall/gran model hertz tangential history primitive type 1 yplane 1.
+fix     zwalls1 all wall/gran model hertz tangential history primitive type 1 zplane 0.
+fix     zwalls2 all wall/gran model hertz tangential history primitive type 1 zplane 4.
+
+# cfd coupling
+fix     cfd  all couple/cfd couple_every 10 mpi
+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
+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
+
+variable        vx1 equal vx[1]
+variable        vy1 equal vy[1]
+variable        vz1 equal vz[1]
+variable        vx2 equal vx[2]
+variable        vy2 equal vy[2]
+variable        vz2 equal vz[2]
+variable        x1 equal x[1]
+variable        y1 equal y[1]
+variable        z1 equal z[1]
+variable        x2 equal x[2]
+variable        y2 equal y[2]
+variable        z2 equal z[2]
+variable        time equal step*dt
+
+fix             extra1 all print 100 "${time} ${vx1} ${vy1} ${vz1}" file ../DEM/post/velocity_particle_1.txt title "%" screen no
+fix             extra2 all print 100 "${time} ${vx2} ${vy2} ${vz2}" file ../DEM/post/velocity_particle_2.txt title "%" screen no
+fix             extra3 all print 100 "${time} ${x1}  ${y1}  ${z1}"  file ../DEM/post/position_particle_1.txt title "%" screen no
+fix             extra4 all print 100 "${time} ${x2}  ${y2}  ${z2}"  file ../DEM/post/position_particle_2.txt title "%" screen no
+
+
+# apply nve integration to all particles that are inserted as single particles
+fix             integr all nve/sphere #wenn das ausgeblendet, dann kein vel update
+
+# screen output
+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
+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 
+
+#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             1
+

tutorials/cfdemSolverIB/twoSpheresGlowinskiMPI/parCFDDEMrun.sh

@@ -65,20 +65,13 @@ cp ../../$logfileName $testHarnessPath
 
 #- clean up case
 echo "deleting data at: $casePath"
-rm -r $casePath/CFD/0.*
-rm -r $casePath/CFD/callgrind.*
-rm -r $casePath/CFD/*.out
-rm -r $casePath/CFD/VTK
-rm -r $casePath/CFD/couplingFiles/*
-rm -r $casePath/CFD/processor*
-rm -r $casePath/CFD/particles*
-rm -r $casePath/CFD/probes
-rm -r $casePath/DEM/post/*
-rm -r $casePath/DEM/log.*
-rm -r $casePath/log_*
-echo "done"
-
+source $WM_PROJECT_DIR/bin/tools/CleanFunctions
+cd $casePath/CFD
+cleanCase
+rm -r $casePath/CFD/clockData
+rm $casePath/DEM/post/*.*
+#rm -r $casePath/DEM/post/restart/*.*
 #- preserve post directory
 touch $casePath/DEM/post/.gitignore
-
+echo "done"
 

tutorials/cfdemSolverPiso/ErgunTestCG/parCFDDEMrun.sh

@@ -87,7 +87,7 @@ cd $casePath/CFD
 cleanCase
 rm -r $casePath/CFD/clockData
 rm -r $casePath/DEM/post/*.*
-rm -r $casePath/DEM/post/restart/*.*
+#rm -r $casePath/DEM/post/restart/*.*
 touch $casePath/DEM/post/.gitignore
 touch $casePath/DEM/post/restart/.gitignore
 echo "done"

tutorials/cfdemSolverPiso/ErgunTestMPI/Allrun.sh

@@ -22,7 +22,7 @@ if [ -f "$casePath/DEM/post/restart/liggghts.restart" ];  then
     echo "LIGGGHTS init was run before - using existing restart file"
 else
     #- run DEM in new terminal
-    $casePath/DEMrun.sh
+    $casePath/parDEMrun.sh
 fi
 
 #- run parallel CFD-DEM in new terminal

tutorials/cfdemSolverPiso/ErgunTestMPI/CFD/constant/couplingProperties

@@ -149,9 +149,12 @@ GidaspowDragProps
 }
 DiFeliceDragProps
 {
+    //verbose;
     velFieldName "U";
     densityFieldName "rho";
     voidfractionFieldName "voidfraction";
+    granVelFieldName "Us";
+    interpolation;
 }
 
 KochHillDragProps
@@ -161,6 +164,12 @@ KochHillDragProps
     densityFieldName "rho";
     voidfractionFieldName "voidfraction";
     interpolation;
+    //forceSubModels
+    //(
+    //    ImExCorr
+    //);
+    //implDEM true;
+    //explicitInterpCorr true;
 }
 
 BeetstraDragProps

tutorials/cfdemSolverPiso/ErgunTestMPI/DEM/in.liggghts_run

@@ -0,0 +1,66 @@
+# Pour granular particles into chute container, then induce flow
+log             ../DEM/log.liggghts
+thermo_log      ../DEM/post/thermo.txt
+
+atom_style      granular
+atom_modify     map array
+communicate     single vel yes
+
+boundary        m m m
+newton          off
+
+units           si
+processors      2 2 1
+
+# read the restart file
+read_restart    ../DEM/post/restart/liggghts.restart
+
+neighbor        0.0005 bin
+neigh_modify    delay 0
+
+# 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
+
+# pair style
+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
+
+# 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 0.01385 0. 0.
+
+# change the particles density
+set         group all density 2000
+
+# cfd coupling
+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
+
+# center of mass
+compute     centerOfMass all com
+
+# compute total dragforce
+compute     dragtotal all reduce sum f_dragforce[1] f_dragforce[2] f_dragforce[3]
+
+# screen output
+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
+
+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

tutorials/cfdemSolverPiso/ErgunTestMPI/parCFDDEMrun.sh

@@ -87,7 +87,7 @@ cd $casePath/CFD
 cleanCase
 rm -r $casePath/CFD/clockData
 rm $casePath/DEM/post/*.*
-rm -r $casePath/DEM/post/restart/*.*
+#rm -r $casePath/DEM/post/restart/*.*
 touch $casePath/DEM/post/.gitignore
 touch $casePath/DEM/post/restart/.gitignore
 echo "done"

tutorials/cfdemSolverPiso/ErgunTestMPI/parDEMrun.sh

@@ -0,0 +1,30 @@
+#!/bin/bash
+
+#===================================================================#
+# DEMrun script for ErgunTestMPI testcase
+# init ErgunTestMPI
+# Christoph Goniva - July 2014
+#===================================================================#
+
+#- source CFDEM env vars
+. ~/.bashrc
+
+#- include functions
+source $CFDEM_SRC_DIR/lagrangian/cfdemParticle/etc/functions.sh
+
+echo "starting DEM run in parallel..."
+#--------------------------------------------------------------------------------#
+#- define variables
+casePath="$(dirname "$(readlink -f ${BASH_SOURCE[0]})")"
+logpath="$casePath"
+headerText="run_liggghts_init_DEM"
+logfileName="log_$headerText"
+solverName="in.liggghts_init"
+nrProcs=4
+machineFileName="none"
+debugMode="off"
+#--------------------------------------------------------------------------------#
+
+#- call function to run DEM case
+parDEMrun $logpath $logfileName $casePath $headerText $solverName $nrProcs $machineFileName $debugMode
+

tutorials/cfdemSolverPiso/ErgunTestMPI_cgs/Allrun.sh

@@ -22,7 +22,7 @@ if [ -f "$casePath/DEM/post/restart/liggghts.restart" ];  then
     echo "LIGGGHTS init was run before - using existing restart file"
 else
     #- run DEM
-    $casePath/DEMrun.sh
+    $casePath/parDEMrun.sh
 fi
 
 #- run parallel CFD-DEM in new terminal

tutorials/cfdemSolverPiso/ErgunTestMPI_cgs/DEM/in.liggghts_run

@@ -0,0 +1,66 @@
+# Pour granular particles into chute container, then induce flow
+log             ../DEM/log.liggghts
+thermo_log      ../DEM/post/thermo.txt
+
+atom_style      granular
+atom_modify     map array
+communicate     single vel yes
+
+boundary        m m m
+newton          off
+
+units           cgs
+processors      2 2 1
+
+# read the restart file
+read_restart    ../DEM/post/restart/liggghts.restart
+
+neighbor        0.1 bin
+neigh_modify    delay 0
+
+# 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
+
+# pair style
+pair_style  gran model hertz tangential history # Hertzian without cohesion
+pair_coeff  * *
+
+# timestep, gravity
+timestep    0.00001
+fix         gravi all gravity 981 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 5.53
+fix         cylwalls all wall/gran model hertz tangential history primitive type 1 zcylinder 1.385 0. 0.
+
+# change the particles density
+set         group all density 2.0
+
+# cfd coupling
+fix         cfd all couple/cfd couple_every 100 mpi
+fix         cfd2 all couple/cfd/force
+
+# apply nve integration to all particles that are inserted as single particles
+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]
+
+# screen output
+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
+
+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

tutorials/cfdemSolverPiso/ErgunTestMPI_cgs/parCFDDEMrun.sh

@@ -82,21 +82,12 @@ fi
 
 #- clean up case
 echo "deleting data at: $casePath :\n"
-rm -r $casePath/CFD/0.*
-rm -r $casePath/CFD/callgrind.*
-rm -r $casePath/CFD/*.out
-rm -r $casePath/CFD/log.*
-rm -r $casePath/CFD/octave/octave-core
-rm -r $casePath/CFD/VTK
-rm -r $casePath/CFD/processor*
-rm -r $casePath/CFD/couplingFiles/*
-rm -r $casePath/CFD/probes
-rm -r $casePath/CFD/postProcessing
-rm -r $casePath/CFD/lagrangian
+source $WM_PROJECT_DIR/bin/tools/CleanFunctions
+cd $casePath/CFD
+cleanCase
 rm -r $casePath/CFD/clockData
-rm -r $casePath/DEM/log.*
-rm -r $casePath/DEM/post/*.*
-rm -r $casePath/DEM/post/restart/*.*
+rm $casePath/DEM/post/*.*
+#rm -r $casePath/DEM/post/restart/*.*
 touch $casePath/DEM/post/.gitignore
 touch $casePath/DEM/post/restart/.gitignore
 echo "done"

tutorials/cfdemSolverPiso/ErgunTestMPI_cgs/parDEMrun.sh

@@ -0,0 +1,28 @@
+#!/bin/bash
+
+#===================================================================#
+# DEMrun script for ErgunTestMPI testcase
+# init ErgunTestMPI
+# Daniel Queteschiner - June 2014
+#===================================================================#
+
+#- source CFDEM env vars
+. ~/.bashrc
+
+#- include functions
+source $CFDEM_SRC_DIR/lagrangian/cfdemParticle/etc/functions.sh
+
+#--------------------------------------------------------------------------------#
+#- define variables
+casePath="$(dirname "$(readlink -f ${BASH_SOURCE[0]})")"
+logpath="$casePath"
+headerText="run_liggghts_init_DEM"
+logfileName="log_$headerText"
+solverName="in.liggghts_init"
+nrProcs="4"
+machineFileName="none"   # yourMachinefileName | none
+#--------------------------------------------------------------------------------#
+
+#- call function to run DEM case
+parDEMrun $logpath $logfileName $casePath $headerText $solverName $nrProcs $machineFileName
+

tutorials/cfdemSolverPiso/ErgunTestMPI_restart/Allrun.sh

@@ -24,7 +24,7 @@ if [ -f "$casePath/DEM/post/restart/liggghts.restart" ];  then
     echo "LIGGGHTS init was run before - using existing restart file"
 else
     #- run DEM in new terminal
-    $casePath/DEMrun.sh
+    $casePath/parDEMrun.sh
 fi
 
 #-------------------------------------------------------#
@@ -110,7 +110,7 @@ cd $casePath/CFD
 cleanCase
 rm -r $casePath/CFD/clockData
 rm -r $casePath/DEM/post/*.*
-rm -r $casePath/DEM/post/restart/*.*
+#rm -r $casePath/DEM/post/restart/*.*
 touch $casePath/DEM/post/.gitignore
 touch $casePath/DEM/post/restart/.gitignore
 echo "done"

tutorials/cfdemSolverPiso/ErgunTestMPI_restart/CFD/constant/couplingProperties_run

@@ -0,0 +1,235 @@
+/*---------------------------------------------------------------------------*\
+| =========                 |                                                 |
+| \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox           |
+|  \\    /   O peration     | Version:  1.4                                   |
+|   \\  /    A nd           | Web:      http://www.openfoam.org               |
+|    \\/     M anipulation  |                                                 |
+\*---------------------------------------------------------------------------*/
+
+
+FoamFile
+{
+    version         2.0;
+    format          ascii;
+
+    root            "";
+    case            "";
+    instance        "";
+    local           "";
+
+    class           dictionary;
+    object          couplingProperties;
+}
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+//===========================================================================//
+// sub-models & settings
+
+modelType "A"; // A or B
+
+couplingInterval 100;
+
+voidFractionModel divided;//centre;//
+
+locateModel engine;//turboEngineM2M;//
+
+meshMotionModel noMeshMotion;
+
+regionModel allRegion;
+
+IOModel basicIO;
+
+probeModel off;
+
+dataExchangeModel twoWayMPI;//twoWayM2M;//twoWayFiles;//oneWayVTK;//
+
+averagingModel dense;//dilute;//
+
+clockModel standardClock;//off;
+
+smoothingModel off;// localPSizeDiffSmoothing;// constDiffSmoothing; //
+
+forceModels
+(
+    //GidaspowDrag
+    //BeetstraDrag
+    //DiFeliceDrag
+    KochHillDrag
+    gradPForce
+    viscForce
+    //Archimedes
+    //volWeightedAverage
+    //totalMomentumExchange
+    //particleCellVolume
+);
+
+momCoupleModels
+(
+    implicitCouple
+);
+
+turbulenceModelType "RASProperties";//"LESProperties";//
+
+//===========================================================================//
+// sub-model properties
+
+localPSizeDiffSmoothingProps
+{
+    lowerLimit 0.1;
+    upperLimit 1e10;
+    dSmoothingLength 1.5e-3;
+    Csmoothing    1.0; 
+}
+
+constDiffSmoothingProps
+{
+    lowerLimit 0.1;
+    upperLimit 1e10;
+    smoothingLength 1.5e-3;
+}
+
+implicitCoupleProps
+{
+    velFieldName "U";
+    granVelFieldName "Us";
+    voidfractionFieldName "voidfraction";
+}
+
+ArchimedesProps
+{
+    densityFieldName "rho";
+    gravityFieldName "g";
+}
+gradPForceProps
+{
+    pFieldName "p";
+    densityFieldName "rho";
+    voidfractionFieldName "voidfraction";
+    velocityFieldName "U";
+    //interpolation;
+}
+
+viscForceProps
+{
+    velocityFieldName "U";
+    densityFieldName "rho";
+    interpolation;
+}
+volWeightedAverageProps
+{
+    scalarFieldNames
+    (
+        voidfraction
+    );
+    vectorFieldNames
+    (
+    );
+    upperThreshold 0.999;
+    lowerThreshold 0;
+    verbose;
+}
+totalMomentumExchangeProps
+{
+    implicitMomExFieldName "Ksl";
+    explicitMomExFieldName "none";
+    fluidVelFieldName "U";
+    granVelFieldName "Us";
+    densityFieldName "rho";
+}
+GidaspowDragProps
+{
+    verbose;
+    velFieldName "U";
+    densityFieldName "rho";
+    voidfractionFieldName "voidfraction";
+    phi 1;
+}
+DiFeliceDragProps
+{
+    velFieldName "U";
+    densityFieldName "rho";
+    voidfractionFieldName "voidfraction";
+}
+
+KochHillDragProps
+{
+    //verbose;
+    velFieldName "U";
+    densityFieldName "rho";
+    voidfractionFieldName "voidfraction";
+}
+
+BeetstraDragProps
+{
+    velFieldName "U";
+    densityFieldName "rho";
+    gravityFieldName "g";
+    rhoParticle     2000.;
+    voidfractionFieldName "voidfraction";
+    interpolation ;
+    useFilteredDragModel ;
+    useParcelSizeDependentFilteredDrag ;
+    k       0.05;
+    aLimit  0.0;
+//    verbose ;
+}
+
+virtualMassForceProps
+{
+    velFieldName "U";
+    densityFieldName "rho";
+}
+
+particleCellVolumeProps
+{
+    upperThreshold 0.999;
+    lowerThreshold 0.;
+    verbose;
+}
+
+oneWayVTKProps
+{
+    couplingFilename "vtk_out%4.4d.vtk";
+    maxNumberOfParticles 30000;
+}
+
+twoWayFilesProps
+{
+    maxNumberOfParticles 10100;
+}
+
+centreProps
+{
+    alphaMin 0.10;
+}
+
+engineProps
+{
+    treeSearch true;
+}
+
+turboEngineM2MProps
+{
+    turboEngineProps
+    {
+        treeSearch true;
+    }
+}
+
+dividedProps
+{
+    alphaMin 0.01;
+    scaleUpVol 1.0;
+}
+
+twoWayMPIProps
+{
+    liggghtsPath "../DEM/in.liggghts_run";
+}
+twoWayM2MProps
+{
+    maxNumberOfParticles 10100;
+    liggghtsPath "../DEM/in.liggghts_run";
+}
+// ************************************************************************* //

tutorials/cfdemSolverPiso/ErgunTestMPI_restart/CFD/constant/liggghtsCommands_run

@@ -0,0 +1,44 @@
+/*---------------------------------------------------------------------------*\
+| =========                 |                                                 |
+| \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox           |
+|  \\    /   O peration     | Version:  1.4                                   |
+|   \\  /    A nd           | Web:      http://www.openfoam.org               |
+|    \\/     M anipulation  |                                                 |
+\*---------------------------------------------------------------------------*/
+
+
+FoamFile
+{
+    version         2.0;
+    format          ascii;
+
+    root            "";
+    case            "";
+    instance        "";
+    local           "";
+
+    class           dictionary;
+    object          liggghtsCommands;
+}
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+liggghtsCommandModels
+(
+    runLiggghts
+    writeLiggghts
+);
+
+runLiggghtsProps
+{
+    preNo false;
+}
+
+//- optional
+writeLiggghtsProps
+{
+    writeLast on;
+    writeName "post/restart/liggghts.restartCFDEM";
+}
+
+// ************************************************************************* //

tutorials/cfdemSolverPiso/ErgunTestMPI_restart/CFD/system/controlDict_run

@@ -0,0 +1,117 @@
+/*--------------------------------*- C++ -*----------------------------------*\
+| =========                 |                                                 |
+| \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox           |
+|  \\    /   O peration     | Version:  1.6                                   |
+|   \\  /    A nd           | Web:      www.OpenFOAM.org                      |
+|    \\/     M anipulation  |                                                 |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+    version     2.0;
+    format      ascii;
+    class       dictionary;
+    location    "system";
+    object      controlDict;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+application     pisoFoam;
+
+startFrom       startTime;
+
+startTime       0;
+
+stopAt          endTime;
+
+endTime         0.05;
+
+deltaT          0.001;
+
+writeControl    adjustableRunTime;
+
+writeInterval   0.01;
+
+purgeWrite      0;
+
+writeFormat     ascii;
+
+writePrecision  6;
+
+writeCompression uncompressed;
+
+timeFormat      general;
+
+timePrecision   6;
+
+runTimeModifiable yes;
+
+adjustTimeStep  no;
+
+maxCo 0.1;
+
+//libs ( "libgroovyBC.so" "libfiniteVolumeCFDEM.so");
+
+functions
+(
+
+    probes
+    {
+        type        probes;
+        // Where to load it from
+        functionObjectLibs ( "libsampling.so" );  
+        // Name of the directory for probe data
+        name        probes;
+        probeLocations
+        (
+            (0 0 0.0001)
+            (0 0 0.0026)
+            (0 0 0.0051)
+            (0 0 0.0076)
+            (0 0 0.0101)
+            (0 0 0.0126)
+            (0 0 0.0151)
+            (0 0 0.0176)
+            (0 0 0.0201)
+            (0 0 0.0226)
+            (0 0 0.0251)
+            (0 0 0.0276)
+            (0 0 0.0301)
+            (0 0 0.0326)
+            (0 0 0.0351)
+            (0 0 0.0375)
+            (0 0 0.0401)
+            (0 0 0.0426)
+            (0 0 0.0451)
+            (0 0 0.0476)
+            (0 0 0.0529)
+        );
+
+        // Fields to be probed
+        fields ( p U voidfraction volAverage_voidfraction voidfractionNext voidfractionPrev);
+
+        // Write at same frequency as fields
+        outputControl   timeStep;//outputTime;
+        outputInterval  1;
+    }
+
+   /*pressureDrop
+   {
+     type patchAverage;
+     functionObjectLibs
+     (
+         "libsimpleFunctionObjects.so"
+     );
+     verbose true;
+     patches
+     (
+         inlet
+         outlet
+     );
+     fields
+     (
+         p
+     );
+     factor  1;
+   }*/
+);
+// ************************************************************************* //

tutorials/cfdemSolverPiso/ErgunTestMPI_restart/DEM/in.liggghts_run

@@ -0,0 +1,65 @@
+# Pour granular particles into chute container, then induce flow
+log             ../DEM/log.liggghts
+thermo_log      ../DEM/post/thermo.txt
+
+atom_style      granular
+atom_modify     map array
+communicate     single vel yes
+
+boundary        m m m
+newton          off
+
+units           si
+processors      2 2 1
+
+# read the restart file
+read_restart    ../DEM/post/restart/liggghts.restart
+
+neighbor        0.0005 bin
+neigh_modify    delay 0
+
+# 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
+
+# pair style
+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
+
+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
+set     group all density 2000
+
+# cfd coupling
+fix     cfd all couple/cfd couple_every 100 mpi
+fix     cfd2 all couple/cfd/force
+
+# apply nve integration to all particles that are inserted as single particles
+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]
+
+# screen output
+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
+
+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

tutorials/cfdemSolverPiso/ErgunTestMPI_restart/parDEMrun.sh

@@ -0,0 +1,28 @@
+#!/bin/bash
+
+#===================================================================#
+# DEMrun script for ErgunTestMPI_restart testcase
+# init ErgunTestMPI_restart
+# Daniel Queteschiner - June 2014, DCS Computing GmbH
+#===================================================================#
+
+#- source CFDEM env vars
+. ~/.bashrc
+
+#- include functions
+source $CFDEM_SRC_DIR/lagrangian/cfdemParticle/etc/functions.sh
+
+#--------------------------------------------------------------------------------#
+#- define variables
+casePath="$(dirname "$(readlink -f ${BASH_SOURCE[0]})")"
+logpath="$casePath"
+headerText="run_liggghts_init_DEM"
+logfileName="log_$headerText"
+solverName="in.liggghts_init"
+nrProcs="2"
+machineFileName="none"   # yourMachinefileName | none
+#--------------------------------------------------------------------------------#
+
+#- call function to run DEM case
+parDEMrun $logpath $logfileName $casePath $headerText $solverName $nrProcs $machineFileName
+

tutorials/cfdemSolverPiso/settlingTestMPI/DEM/in.liggghts_run

@@ -0,0 +1,73 @@
+# Pour granular particles into chute container, then induce flow
+echo both
+log             ../DEM/log.liggghts
+thermo_log      ../DEM/post/thermo.txt
+
+atom_style      granular
+atom_modify     map array sort 0 0
+communicate     single vel yes
+
+boundary        f f f
+newton          off
+
+units           si
+
+region          reg block 0 0.1 0 0.1 0 0.1 units box
+create_box      1 reg
+
+neighbor        0.003 bin
+neigh_modify    delay 0 binsize 0.01
+
+
+# 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         m5 all property/global characteristicVelocity scalar 2.0
+
+# pair style
+pair_style  gran model hertz tangential history # hertz without cohesion
+pair_coeff  * *
+
+# timestep, gravity
+timestep    0.00001
+fix         gravi all gravity 9.81 vector 0.0 -1.0 0.0
+
+# walls
+fix     xwalls1 all wall/gran model hertz tangential history primitive type 1 xplane 0.0
+fix     xwalls2 all wall/gran model hertz tangential history primitive type 1 xplane 0.1
+fix     ywalls1 all wall/gran model hertz tangential history primitive type 1 yplane 0.0
+fix     ywalls2 all wall/gran model hertz tangential history primitive type 1 yplane 0.1
+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 0.01
+
+# create single partciles
+create_atoms    1 single 0.05 0.025  0.05 units box
+set             group all diameter 0.0001 density 3000
+
+# cfd coupling
+fix     cfd all couple/cfd couple_every 100 mpi
+fix     cfd2 all couple/cfd/force
+
+variable    vx equal vx[1]
+variable    vy equal vy[1]
+variable    vz equal vz[1]
+variable    time equal step*dt
+fix         extra all print 100 "${time} ${vx} ${vy} ${vz}" file ../DEM/post/velocity.txt title "#" screen no
+
+# apply nve integration to all particles that are inserted as single particles
+fix         integr all nve/sphere
+
+# screen output
+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 ../DEM/post/dump.liggghts_run id type x y z ix iy iz vx vy vz fx fy fz omegax omegay omegaz radius
+
+run     1 upto

tutorials/cfdemSolverPisoScalar/packedBedTemp/DEM/in.liggghts_run

@@ -0,0 +1,75 @@
+# read packed bed and calc convective heat transfer
+log             ../DEM/log.liggghts
+thermo_log      ../DEM/post/thermo.txt
+
+atom_style      granular
+atom_modify     map array
+communicate     single vel yes
+boundary        m m m
+newton          off
+echo            both
+units           si
+processors      1 1 2
+
+# read the restart file
+read_restart    ../DEM/post/restart/liggghts.restart
+
+neighbor        0.003 bin
+neigh_modify    delay 0 binsize 0.01
+
+
+# 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
+
+# pair style
+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. -1.
+
+# walls
+fix     xwalls1 all wall/gran model hertz tangential history primitive type 1 xplane 0.0
+fix     xwalls2 all wall/gran model hertz tangential history primitive type 1 xplane 0.1
+fix     ywalls1 all wall/gran model hertz tangential history primitive type 1 yplane 0.0
+fix     ywalls2 all wall/gran model hertz tangential history primitive type 1 yplane 0.1
+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 1.1
+
+
+# heat transfer
+fix         ftco all property/global thermalConductivity peratomtype 5. # lambda in [W/(K*m)]
+fix         ftca all property/global thermalCapacity peratomtype 0.1    # cp in [J/(kg*K)]
+fix         heattransfer all heat/gran initial_temperature 600.
+
+# set particle temperature for the bed
+run         0
+region      total block INF INF INF INF INF INF units box
+set         region total property/atom Temp 600.
+
+# cfd coupling
+fix     cfd all couple/cfd couple_every 100 mpi
+fix     cfd2 all couple/cfd/force
+
+# this one invokes heat transfer calculation, transfers per-particle temperature and adds convective heat flux to particles
+fix     cfd3 all couple/cfd/convection T0 600
+
+# apply nve integration to all particles that are inserted as single particles
+fix     integr all nve/sphere
+
+
+# screen output
+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
+
+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]
+
+run         1

tutorials/cfdemSolverPisoScalar/packedBedTemp/parCFDDEMrun.sh

@@ -84,21 +84,12 @@ fi
 
 #- clean up case
 echo "deleting data at: $casePath : ???\n"
-rm -r $casePath/CFD/0.*
-rm -r $casePath/CFD/1
-rm -r $casePath/CFD/callgrind.*
-rm -r $casePath/CFD/*.out
-rm -r $casePath/CFD/octave/*.eps
-rm -r $casePath/CFD/octave/octave-core
-rm -r $casePath/CFD/VTK
-rm -r $casePath/CFD/processor*
-rm -r $casePath/DEM/post/*.*
-rm -r $casePath/DEM/post/restart/*.*
-rm -r $casePath/DEM/log.*
-rm -r $casePath/CFD/log.*
-rm -r $casePath/CFD/probes
-rm -r $casePath/CFD/postProcessing
-rm -r $casePath/log_*
+source $WM_PROJECT_DIR/bin/tools/CleanFunctions
+cd $casePath/CFD
+cleanCase
+rm -r $casePath/CFD/clockData
+rm $casePath/DEM/post/*.*
+#rm -r $casePath/DEM/post/restart/*.*
 echo "done"
 
 #- preserve post directory

tutorials/cfdemSolverPisoScalar/packedBedTemp/parDEMrun.sh

@@ -0,0 +1,28 @@
+#!/bin/bash
+
+#===================================================================#
+# DEMrun script for ErgunTestMPI testcase
+# init ErgunTestMPI
+# Daniel Queteschiner - June 2014
+#===================================================================#
+
+#- source CFDEM env vars
+. ~/.bashrc
+
+#- include functions
+source $CFDEM_SRC_DIR/lagrangian/cfdemParticle/etc/functions.sh
+
+#--------------------------------------------------------------------------------#
+#- define variables
+casePath="$(dirname "$(readlink -f ${BASH_SOURCE[0]})")"
+logpath="$casePath"
+headerText="run_liggghts_init_DEM"
+logfileName="log_$headerText"
+solverName="in.liggghts_init"
+nrProcs="2"
+machineFileName="none"   # yourMachinefileName | none
+#--------------------------------------------------------------------------------#
+
+#- call function to run DEM case
+parDEMrun $logpath $logfileName $casePath $headerText $solverName $nrProcs $machineFileName
+