Merge pull request #29 from ParticulateFlow/feature/cherry_pick_PUBLIC

Feature/cherry pick public

src/lagrangian/cfdemParticle/cfdemCloud/cfdemCloud.C

@@ -81,6 +81,7 @@ cfdemCloud::cfdemCloud
     solveFlow_(true),
     verbose_(false),
     ignore_(false),
+    allowCFDsubTimestep_(true),
     limitDEMForces_(false),
     modelType_(couplingProperties_.lookup("modelType")),
     positions_(NULL),
@@ -251,17 +252,6 @@ cfdemCloud::cfdemCloud
     else
         Info << "ignoring ddt(voidfraction)" << endl;
 
-    forceModel_ = new autoPtr<forceModel>[nrForceModels()];
-    for (int i=0;i<nrForceModels();i++)
-    {
-        forceModel_[i] = forceModel::New
-        (
-            couplingProperties_,
-            *this,
-            forceModels_[i]
-        );
-    }
-
     momCoupleModel_ = new autoPtr<momCoupleModel>[momCoupleModels_.size()];
     for (int i=0;i<momCoupleModels_.size();i++)
     {
@@ -273,6 +263,17 @@ cfdemCloud::cfdemCloud
         );
     }
 
+    forceModel_ = new autoPtr<forceModel>[nrForceModels()];
+    for (int i=0;i<nrForceModels();i++)
+    {
+        forceModel_[i] = forceModel::New
+        (
+            couplingProperties_,
+            *this,
+            forceModels_[i]
+        );
+    }
+
     // run liggghts commands from cfdem
     liggghtsCommand_ = new autoPtr<liggghtsCommandModel>[liggghtsCommandModelList_.size()];
     for (int i=0;i<liggghtsCommandModelList_.size();i++)
@@ -324,7 +325,14 @@ cfdemCloud::cfdemCloud
     {
         checkPeriodicCells_ = true;
     }
-    else if (nPatchesCyclic > 0 && nPatchesNonCyclic > 0)
+
+    //hard set checkperiodic cells if wished
+    if(this->couplingProperties().found("checkPeriodicCells"))
+    {
+        checkPeriodicCells_ = couplingProperties().lookupOrDefault<Switch>("checkPeriodicCells", checkPeriodicCells_);
+    }
+
+    if (nPatchesCyclic > 0 && nPatchesNonCyclic > 0)
     {
         if (verbose_) Info << "nPatchesNonCyclic=" << nPatchesNonCyclic << ", nPatchesCyclic=" << nPatchesCyclic << endl;
         Warning << "Periodic handing is disabled because the domain is not fully periodic!\n" << endl;
@@ -612,6 +620,10 @@ bool cfdemCloud::evolve
         //      IMPLICIT FORCE CONTRIBUTION AND SOLVER USE EXACTLY THE SAME AVERAGED
         //      QUANTITIES AT THE GRID!
         Info << "\n timeStepFraction() = " << dataExchangeM().timeStepFraction() << endl;
+        if(dataExchangeM().timeStepFraction() > 1.0000001)
+        {
+            FatalError << "cfdemCloud::dataExchangeM().timeStepFraction()>1: Do not do this, since dangerous. This might be due to the fact that you used a adjustable CFD time step. Please use a fixed CFD time step." << abort(FatalError);
+        }
         clockM().start(24,"interpolateEulerFields");
 
         // update voidFractionField

src/lagrangian/cfdemParticle/cfdemCloud/cfdemCloud.H

@@ -92,6 +92,8 @@ protected:
 
     bool ignore_;
 
+    bool allowCFDsubTimestep_;
+
     bool limitDEMForces_;
 
     scalar maxDEMForce_;
@@ -226,6 +228,10 @@ public:
 // public Member Functions
 
     // Access
+       bool allowCFDsubTimestep() { return allowCFDsubTimestep_; }
+
+       void setAllowCFDsubTimestep(bool b) { allowCFDsubTimestep_ = b; }
+
        void checkCG(bool);
 
        void setPos(double **&);

src/lagrangian/cfdemParticle/subModels/averagingModel/averagingModel/averagingModel.C

@@ -328,21 +328,13 @@ void averagingModel::undoWeightFields(double**const& mask) const
 
 tmp<volVectorField> averagingModel::UsInterp() const
 {
-    if (particleCloud_.dataExchangeM().couplingStep() > 1)
+    const scalar tsf = particleCloud_.dataExchangeM().timeStepFraction();
-    {
+
     return tmp<volVectorField>
     (
-            new volVectorField("Us_averagingModel", (1. - particleCloud_.dataExchangeM().timeStepFraction()) * UsPrev_ + particleCloud_.dataExchangeM().timeStepFraction() * UsNext_)
+        new volVectorField("Us_averagingModel", (1. - tsf) * UsPrev_ + tsf * UsNext_)
     );
 }
-    else
-    {
-        return tmp<volVectorField>
-        (
-            new volVectorField("Us_averagingModel", UsNext_)
-        );
-    }
-}
 
 // * * * * * * * * * * * * * * * * Constructors  * * * * * * * * * * * * * * //
 

src/lagrangian/cfdemParticle/subModels/dataExchangeModel/dataExchangeModel/dataExchangeModel.C

@@ -209,12 +209,7 @@ bool dataExchangeModel::couple(int i) const
 scalar dataExchangeModel::timeStepFraction() const
 {
     //return fraction between previous coupling TS and actual TS
-    //scalar DEMtime = DEMts_ * couplingInterval_;
+    return ( particleCloud_.mesh().time().value()-particleCloud_.mesh().time().startTime().value() - (couplingStep_-1) * couplingTime() ) / couplingTime();
-    //scalar frac = ( ( particleCloud_.mesh().time().value()-particleCloud_.mesh().time().startTime().value() ) - (couplingStep_) * DEMtime) / DEMtime; //Chr 05.03.2013
-    scalar frac = ( particleCloud_.mesh().time().value()-particleCloud_.mesh().time().startTime().value() - couplingStep_ * couplingTime() ) / couplingTime();
-    if (frac < 1e-4) frac = 1.;
-
-    return frac;
 }
 
 int dataExchangeModel::getNumberOfParticles() const

src/lagrangian/cfdemParticle/subModels/dataExchangeModel/dataExchangeModel/dataExchangeModel.H

@@ -203,16 +203,23 @@ public:
                 Info << "particleCloud_.mesh().time().deltaT().value() = " << particleCloud_.mesh().time().deltaT().value() << endl;
                 Info << "couplingInterval_ = " << couplingInterval_ << endl;
                 Info << "DEMts_ = " << DEMts_ << endl;
-                FatalError<<"\nError - TS bigger than coupling interval!\n"<< abort(FatalError);
+                FatalError << "\nError - CFD time-step bigger than coupling time (= DEM time step * coupling interval)!\n" << abort(FatalError);
             }
-        }
+            if (std::fabs((round(couplingTime()/particleCloud_.mesh().time().deltaT().value())*particleCloud_.mesh().time().deltaT().value())-couplingTime()) > SMALL)
-
-        /*inline bool checkExactTiming() const
             {
-            return false;
+                Info << "particleCloud_.mesh().time().deltaT().value() = " << particleCloud_.mesh().time().deltaT().value() << endl;
-        }*/
+                Info << "couplingInterval_ = " << couplingInterval_ << endl;
+                Info << "DEMts_ = " << DEMts_ << endl;
+                Warning << "\nWarning - Coupling time (= DEM time step * coupling interval) is not a multiple of  CFD time-step!\n" << endl;
+            }
+            if (!particleCloud_.allowCFDsubTimestep())
+                if (particleCloud_.mesh().time().deltaT().value() < couplingInterval_ * DEMts_ + SMALL)
+                    FatalError << "\nYour models require: CFD time-step = coupling interval (= DEM time step * coupling interval)! \n" << abort(FatalError);
 
-        //void checkNClumpTypes() const {};
+            // warn if sub-TS
+            if (particleCloud_.mesh().time().deltaT().value() < couplingTime() - SMALL)
+                Warning << "You are using sub-time-steps (i.e. CFD TS < coupling time)! Check your settings properly." << endl;
+        }
 
         inline void readDEMtsfromDict(dictionary& propsDict)
         {
@@ -222,10 +229,8 @@ public:
 
         inline bool doCoupleNow() const
         {
-            if (particleCloud_.mesh().time().value()-particleCloud_.mesh().time().startTime().value()
+            if (particleCloud_.mesh().time().value()-particleCloud_.mesh().time().startTime().value()-SMALL
-             - ((1+couplingStep_)*(DEMts_*couplingInterval_))
+                > couplingStep_*DEMts_*couplingInterval_)
-             + 1e-10 > 0)                                         // Chr 27.03.2013 : first coupling after DEMts_*couplingInterval_
-//             > particleCloud_.mesh().time().deltaT().value()/2) // Chr 27.03.2013
             {
                 return true;
             }

src/lagrangian/cfdemParticle/subModels/liggghtsCommandModel/liggghtsCommandModel/liggghtsCommandModel.C

@@ -104,6 +104,13 @@ void liggghtsCommandModel::checkTimeMode(dictionary& propsDict)
             }
         }
     }
+
+    if(verbose_){
+        Info << "runFirst = " << runFirst_ << endl;
+        Info << "runLast = " << runLast_ << endl;
+        Info << "runEveryCouplingStep = " << runEveryCouplingStep_ << endl;
+        Info << "runEveryWriteStep = " << runEveryWriteStep_ << endl;
+    }
 }
 
 void liggghtsCommandModel::checkTimeSettings(const dictionary& propsDict)
@@ -112,11 +119,12 @@ void liggghtsCommandModel::checkTimeSettings(const dictionary& propsDict)
     {
         scalar DEMts = particleCloud_.dataExchangeM().DEMts();
         scalar couplingInterval = particleCloud_.dataExchangeM().couplingInterval();
+        scalar simStartTime = particleCloud_.mesh().time().startTime().value();
 
         if(runLast_) // last run
         {
             // read time options from subdict
-            endTime_ = particleCloud_.mesh().time().endTime().value()-particleCloud_.mesh().time().startTime().value();
+            endTime_ = particleCloud_.mesh().time().endTime().value()-simStartTime;
             startTime_ = endTime_;
             timeInterval_ = -1;
 
@@ -136,9 +144,9 @@ void liggghtsCommandModel::checkTimeSettings(const dictionary& propsDict)
 
                 // calculate coupling times
                 // if this makes troubles try floor((startTime_+SMALL)/.. as above
-                firstCouplingStep_ = floor(startTime_/DEMts/couplingInterval)+1;
+                firstCouplingStep_ = floor((startTime_+SMALL-simStartTime)/DEMts/couplingInterval);
-                lastCouplingStep_ = floor(endTime_/DEMts/couplingInterval)+1;
+                lastCouplingStep_ = floor((endTime_+SMALL-simStartTime)/DEMts/couplingInterval);
-                couplingStepInterval_ = floor(timeInterval_/DEMts/couplingInterval)+1;
+                couplingStepInterval_ = floor(timeInterval_+SMALL/DEMts/couplingInterval);
             }
             else      //runEveryCouplingStep  or writeStep
             {

src/lagrangian/cfdemParticle/subModels/momCoupleModel/explicitCouple/explicitCouple.C

@@ -108,9 +108,13 @@ explicitCouple::~explicitCouple()
 // * * * * * * * * * * * * * * * Member Functions  * * * * * * * * * * * * * //
 tmp<volVectorField> explicitCouple::expMomSource() const
 {
-    scalar tsf = particleCloud_.dataExchangeM().timeStepFraction();
+    const scalar tsf = particleCloud_.dataExchangeM().timeStepFraction();
 
-    if (1. - tsf < 1e-4) //tsf==1
+    // calc Ksl
+
+    // update KslNext in first subTS
+    // NOTE: without following if we could update f every subTS (based on current values) and use this value
+    if(tsf < particleCloud_.mesh().time().deltaT().value()/particleCloud_.dataExchangeM().couplingTime() + 0.000001 )
     {
         // calc fNext
         forAll(fNext_,cellI)
@@ -124,19 +128,13 @@ tmp<volVectorField> explicitCouple::expMomSource() const
                 if (magF > fLimit_[i]) fNext_[cellI][i] *= fLimit_[i]/magF;
             }
         }
-        return tmp<volVectorField>
-        (
-            new volVectorField("f_explicitCouple", fPrev_)
-        );
     }
-    else
+
-    {
     return tmp<volVectorField>
     (
         new volVectorField("f_explicitCouple", (1. - tsf) * fPrev_ + tsf * fNext_)
     );
 }
-}
 
 void explicitCouple::resetMomSourceField() const
 {

src/lagrangian/cfdemParticle/subModels/momCoupleModel/implicitCouple/implicitCouple.C

@@ -122,11 +122,13 @@ implicitCouple::~implicitCouple()
 
 tmp<volScalarField> implicitCouple::impMomSource() const
 {
-    scalar tsf = particleCloud_.dataExchangeM().timeStepFraction();
+    const scalar tsf = particleCloud_.dataExchangeM().timeStepFraction();
 
     // calc Ksl
 
-    if (1. - tsf < 1e-4) //tsf==1
+    // update KslNext in first subTS
+    // NOTE: without following if we could update Ksl every subTS (based on current values) and use this value
+    if(tsf < particleCloud_.mesh().time().deltaT().value()/particleCloud_.dataExchangeM().couplingTime() + 0.000001 )
     {
         scalar Ur;
 
@@ -136,6 +138,8 @@ tmp<volScalarField> implicitCouple::impMomSource() const
 
             if (Ur > SMALL && alpha_[cellI] < maxAlpha_) //momentum exchange switched off if alpha too big
             {
+                // NOTE: impParticleForces() are calculated at coupling step based on current values
+                //       therefore the use of Next fields in forceM and here is recommended
                 KslNext_[cellI] = mag(particleCloud_.forceM(0).impParticleForces()[cellI])
                             / Ur
                             / particleCloud_.mesh().V()[cellI];
@@ -145,19 +149,13 @@ tmp<volScalarField> implicitCouple::impMomSource() const
             // limiter
             if (KslNext_[cellI] > KslLimit_) KslNext_[cellI] = KslLimit_;
         }
-        return tmp<volScalarField>
-        (
-            new volScalarField("Ksl_implicitCouple", KslPrev_)
-        );
     }
-    else
+
-    {
     return tmp<volScalarField>
     (
         new volScalarField("Ksl_implicitCouple", (1. - tsf) * KslPrev_ + tsf * KslNext_)
     );
 }
-}
 
 void implicitCouple::resetMomSourceField() const
 {

src/lagrangian/cfdemParticle/subModels/thermCondModel/SyamlalThermCond/SyamlalThermCond.C

@@ -103,9 +103,10 @@ tmp<volScalarField> SyamlalThermCond::thermCond() const
             dimensionedScalar("zero", dimensionSet(1,1,-3,-1,0,0,0), 0.0)
         )
     );
+
     volScalarField& svf = tvf.ref();
 
-    svf = (1-sqrt(1-voidfraction_)) / (voidfraction_) * kf0_;
+    svf = (1-sqrt(1-voidfraction_+SMALL)) / (voidfraction_) * kf0_;
 
     // if a wallQFactor field is present, use it to scale heat transport through a patch
     if (hasWallQFactor_)

src/lagrangian/cfdemParticle/subModels/voidFractionModel/voidFractionModel/voidFractionModel.C

@@ -102,23 +102,13 @@ voidFractionModel::~voidFractionModel()
 // * * * * * * * * * * * * * * public Member Functions  * * * * * * * * * * * * * //
 tmp<volScalarField> voidFractionModel::voidFractionInterp() const
 {
-    scalar tsf = particleCloud_.dataExchangeM().timeStepFraction();
+    const scalar tsf = particleCloud_.dataExchangeM().timeStepFraction();
 
-    if (1. - tsf < 1e-4 && particleCloud_.dataExchangeM().couplingStep() > 1) //tsf==1
-    {
-        return tmp<volScalarField>
-        (
-            new volScalarField("alpha_voidFractionModel", voidfractionPrev_)
-        );
-    }
-    else
-    {
     return tmp<volScalarField>
     (
         new volScalarField("alpha_voidFractionModel", (1. - tsf) * voidfractionPrev_ + tsf * voidfractionNext_)
     );
 }
-}
 
 void voidFractionModel::resetVoidFractions() const
 {

tutorials/cfdemPostproc/fillCylinder/DEM/in.liggghts_init

@@ -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
+compute         rke all erotate/sphere
-thermo_style	custom step atoms ke c_1 vol
+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

tutorials/cfdemSolverIB/twoSpheresGlowinskiMPI/CFD/system/controlDict

@@ -73,8 +73,8 @@ functions
         fields ( particleForces );
 
         // Write at same frequency as fields
-        outputControl   timeStep;//outputTime;
+        writeControl   timeStep;//outputTime;
-        outputInterval  1;
+        writeInterval  1;
     }
 }
 

tutorials/cfdemSolverIB/twoSpheresGlowinskiMPI/CFD/system/controlDict.foam

@@ -73,8 +73,8 @@ functions
         fields ( particleForces );
 
         // Write at same frequency as fields
-        outputControl   timeStep;//outputTime;
+        writeControl   timeStep;//outputTime;
-        outputInterval  1;
+        writeInterval  1;
     }
 }
 

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 0.5 0.5 3.5  units box
-create_atoms 1 single .5 .5 3.16 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]

tutorials/cfdemSolverPiso/ErgunTestCG/CFD/system/controlDict

@@ -90,8 +90,8 @@ functions
         fields ( p U voidfraction volAverage_voidfraction voidfractionNext voidfractionPrev);
 
         // Write at same frequency as fields
-        outputControl   timeStep;//outputTime;
+        writeControl   timeStep;//outputTime;
-        outputInterval  1;
+        writeInterval  1;
     }
 }
 // ************************************************************************* //

tutorials/cfdemSolverPiso/ErgunTestCG/CFD/system/controlDict.foam

@@ -90,8 +90,8 @@ functions
         fields ( p U voidfraction volAverage_voidfraction);
 
         // Write at same frequency as fields
-        outputControl   timeStep;//outputTime;
+        writeControl   timeStep;//outputTime;
-        outputInterval  1;
+        writeInterval  1;
     }
 
    /*pressureDrop

tutorials/cfdemSolverPiso/ErgunTestCG/DEM/in.liggghts_init

@@ -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
+compute         rke all erotate/sphere
-thermo_style	custom step atoms ke c_1 vol
+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]

tutorials/cfdemSolverPiso/ErgunTestCG/DEM/in.liggghts_run

@@ -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
+compute         rke 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_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 x y z vx vy vz fx fy fz radius
-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
 
 run             1

tutorials/cfdemSolverPiso/ErgunTestMPI/CFD/system/controlDict

@@ -89,8 +89,8 @@ functions
         fields ( p U voidfraction volAverage_voidfraction voidfractionNext voidfractionPrev);
 
         // Write at same frequency as fields
-        outputControl   timeStep;//outputTime;
+        writeControl   timeStep;//outputTime;
-        outputInterval  1;
+        writeInterval  1;
     }
 
 }

tutorials/cfdemSolverPiso/ErgunTestMPI/CFD/system/controlDict.foam

@@ -90,8 +90,8 @@ functions
         fields ( p U voidfraction volAverage_voidfraction);
 
         // Write at same frequency as fields
-        outputControl   timeStep;//outputTime;
+        writeControl   timeStep;//outputTime;
-        outputInterval  1;
+        writeInterval  1;
     }
 
    /*pressureDrop

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]

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

tutorials/cfdemSolverPiso/ErgunTestMPI_cgs/CFD/system/controlDict

@@ -186,8 +186,8 @@ functions
         fields ( p U voidfraction volAverage_voidfraction);
 
         // Write at same frequency as fields
-        outputControl   timeStep;//outputTime;
+        writeControl   timeStep;//outputTime;
-        outputInterval  1;
+        writeInterval  1;
     }
 }
 // ************************************************************************* //

tutorials/cfdemSolverPiso/ErgunTestMPI_cgs/CFD/system/controlDict.foam

@@ -90,8 +90,8 @@ functions
         fields ( p U voidfraction volAverage_voidfraction);
 
         // Write at same frequency as fields
-        outputControl   timeStep;//outputTime;
+        writeControl   timeStep;//outputTime;
-        outputInterval  1;
+        writeInterval  1;
     }
 
    /*pressureDrop

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]

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

tutorials/cfdemSolverPiso/ErgunTestMPI_restart/CFD/system/controlDict

@@ -89,8 +89,8 @@ functions
         fields ( p U voidfraction volAverage_voidfraction voidfractionNext voidfractionPrev);
 
         // Write at same frequency as fields
-        outputControl   timeStep;//outputTime;
+        writeControl   timeStep;//outputTime;
-        outputInterval  1;
+        writeInterval  1;
     }
 
    /*pressureDrop

tutorials/cfdemSolverPiso/ErgunTestMPI_restart/CFD/system/controlDict.foam

@@ -90,8 +90,8 @@ functions
         fields ( p U voidfraction volAverage_voidfraction);
 
         // Write at same frequency as fields
-        outputControl   timeStep;//outputTime;
+        writeControl   timeStep;//outputTime;
-        outputInterval  1;
+        writeInterval  1;
     }
 
    /*pressureDrop

tutorials/cfdemSolverPiso/ErgunTestMPI_restart/CFD/system/controlDict_restart

@@ -89,8 +89,8 @@ functions
         fields ( p U voidfraction volAverage_voidfraction voidfractionNext voidfractionPrev);
 
         // Write at same frequency as fields
-        outputControl   timeStep;//outputTime;
+        writeControl   timeStep;//outputTime;
-        outputInterval  1;
+        writeInterval  1;
     }
 
    /*pressureDrop

tutorials/cfdemSolverPiso/ErgunTestMPI_restart/CFD/system/controlDict_run

@@ -89,8 +89,8 @@ functions
         fields ( p U voidfraction volAverage_voidfraction voidfractionNext voidfractionPrev);
 
         // Write at same frequency as fields
-        outputControl   timeStep;//outputTime;
+        writeControl   timeStep;//outputTime;
-        outputInterval  1;
+        writeInterval  1;
     }
 
    /*pressureDrop

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
@@ -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]

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

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

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

tutorials/cfdemSolverPisoMS/ErgunTestMPI/CFD/system/controlDict

@@ -89,8 +89,8 @@ functions
         fields ( p U voidfraction volAverage_voidfraction);
 
         // Write at same frequency as fields
-        outputControl   timeStep;//outputTime;
+        writeControl   timeStep;//outputTime;
-        outputInterval  1;
+        writeInterval  1;
     }
 }
 // ************************************************************************* //

tutorials/cfdemSolverPisoMS/ErgunTestMPI/CFD/system/controlDict.foam

@@ -90,8 +90,8 @@ functions
         fields ( p U voidfraction volAverage_voidfraction);
 
         // Write at same frequency as fields
-        outputControl   timeStep;//outputTime;
+        writeControl   timeStep;//outputTime;
-        outputInterval  1;
+        writeInterval  1;
     }
 
    /*pressureDrop

tutorials/cfdemSolverPisoScalar/packedBedTemp/CFD/system/controlDict

@@ -72,8 +72,8 @@ functions
         fields ( p T);
 
         // Write at same frequency as fields
-        outputControl   timeStep;//outputTime;
+        writeControl   timeStep;//outputTime;
-        outputInterval  1;
+        writeInterval  1;
     }
 }
 // ************************************************************************* //

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
 

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

tutorials/cfdemSolverRhoPimple/ErgunTestMPI/CFD/system/controlDict

@@ -89,8 +89,8 @@ functions
         fields ( p U T voidfraction volAverage_voidfraction);
 
         // Write at same frequency as fields
-        outputControl   timeStep;//outputTime;
+        writeControl   timeStep;//outputTime;
-        outputInterval  1;
+        writeInterval  1;
     }
 
 }

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]

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
 

tutorials/cfdemSolverRhoPimple/FinesColumn/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
 
 ###############################################
 #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
+compute         rke all erotate/sphere
-thermo_style	custom step atoms ke c_1 vol 
+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
 

tutorials/cfdemSolverRhoPimple/FinesColumn/DEM/in.liggghts_resume

@@ -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
+compute         rke all erotate/sphere
-thermo_style	custom step atoms ke c_1 vol v_totmass 
+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