Merge branch 'develop' into feature/fluidized_bed_chemistry_cases

tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/DEM/in.liggghts_run

applications/solvers/cfdemSolverMultiphaseScalar/Allwclean

@@ -2,7 +2,7 @@
 cd ${0%/*} || exit 1    # Run from this directory
 set -x
 
-wclean libso multiphaseMixture
+wclean libso multiphaseMixtureScalar
 wclean
 
 #------------------------------------------------------------------------------

applications/solvers/cfdemSolverMultiphaseScalar/Allwmake

@@ -6,7 +6,7 @@ targetType=libso
 . $WM_PROJECT_DIR/wmake/scripts/AllwmakeParseArguments
 set -x
 
-wmake $targetType multiphaseMixture
+wmake $targetType multiphaseMixtureScalar
 wmake
 
 #------------------------------------------------------------------------------

applications/solvers/cfdemSolverMultiphaseScalar/Make/options

@@ -6,7 +6,7 @@ include $(CFDEM_ADD_LIBS_DIR)/additionalLibs
 EXE_INC = \
      $(PFLAGS) \
     -I$(CFDEM_OFVERSION_DIR) \
-    -ImultiphaseMixture/lnInclude \
+    -ImultiphaseMixtureScalar/lnInclude \
     -I$(LIB_SRC)/transportModels \
     -I$(LIB_SRC)/transportModels/incompressible/lnInclude \
     -I$(LIB_SRC)/transportModels/interfaceProperties/lnInclude \

applications/solvers/cfdemSolverMultiphaseScalar/cfdemSolverMultiphaseScalar.C

@@ -30,7 +30,7 @@ Description
 \*---------------------------------------------------------------------------*/
 
 #include "fvCFD.H"
-#include "multiphaseMixture.H"
+#include "multiphaseMixtureScalar.H"
 #include "turbulentTransportModel.H"
 #include "pimpleControl.H"
 #include "fvOptions.H"

applications/solvers/cfdemSolverMultiphaseScalar/createFields.H

@@ -88,7 +88,7 @@ surfaceScalarField phi
      linearInterpolate(U*voidfraction) & mesh.Sf()
  );
 
-multiphaseMixture mixture(U, phi, voidfraction);
+multiphaseMixtureScalar mixture(U, phi, voidfraction);
 
 // Need to store rho for ddt(rho, U)
 volScalarField rho

applications/solvers/cfdemSolverMultiphaseScalar/multiphaseMixtureScalar/Make/files

@@ -1,5 +1,5 @@
 phase/phase.C
 alphaContactAngle/alphaContactAngleFvPatchScalarField.C
-multiphaseMixture.C
+multiphaseMixtureScalar.C
 
 LIB = $(CFDEM_LIB_DIR)/libcfdemMultiphaseInterFoamScalar

applications/solvers/cfdemSolverMultiphaseScalar/multiphaseMixtureScalar/alphaContactAngle/alphaContactAngleFvPatchScalarField.H

@@ -26,7 +26,7 @@ Class
 
 Description
     Contact-angle boundary condition for multi-phase interface-capturing
-    simulations.  Used in conjuction with multiphaseMixture.
+    simulations.  Used in conjuction with multiphaseMixtureScalar.
 
 SourceFiles
     alphaContactAngleFvPatchScalarField.C
@@ -37,7 +37,7 @@ SourceFiles
 #define alphaContactAngleFvPatchScalarField_H
 
 #include "zeroGradientFvPatchFields.H"
-#include "multiphaseMixture.H"
+#include "multiphaseMixtureScalar.H"
 
 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
@@ -117,8 +117,8 @@ public:
     typedef HashTable
     <
         interfaceThetaProps,
-        multiphaseMixture::interfacePair,
+        multiphaseMixtureScalar::interfacePair,
-        multiphaseMixture::interfacePair::hash
+        multiphaseMixtureScalar::interfacePair::hash
     > thetaPropsTable;
 
 

applications/solvers/cfdemSolverMultiphaseScalar/multiphaseMixtureScalar/multiphaseMixtureScalar.C

@@ -18,7 +18,7 @@ License
 
 \*---------------------------------------------------------------------------*/
 
-#include "multiphaseMixture.H"
+#include "multiphaseMixtureScalar.H"
 #include "alphaContactAngleFvPatchScalarField.H"
 #include "Time.H"
 #include "subCycle.H"
@@ -31,13 +31,13 @@ License
 
 // * * * * * * * * * * * * * * * Static Member Data  * * * * * * * * * * * * //
 
-const Foam::scalar Foam::multiphaseMixture::convertToRad =
+const Foam::scalar Foam::multiphaseMixtureScalar::convertToRad =
     Foam::constant::mathematical::pi/180.0;
 
 
 // * * * * * * * * * * * * * Private Member Functions  * * * * * * * * * * * //
 
-void Foam::multiphaseMixture::calcAlphas()
+void Foam::multiphaseMixtureScalar::calcAlphas()
 {
     scalar level = 0.0;
     alphas_ == 0.0;
@@ -51,7 +51,7 @@ void Foam::multiphaseMixture::calcAlphas()
 
 
 Foam::tmp<Foam::volScalarField>
-Foam::multiphaseMixture::calcNu() const
+Foam::multiphaseMixtureScalar::calcNu() const
 {
     PtrDictionary<phase>::const_iterator iter = phases_.begin();
 
@@ -74,7 +74,7 @@ Foam::multiphaseMixture::calcNu() const
 }
 
 Foam::tmp<Foam::surfaceScalarField>
-Foam::multiphaseMixture::calcStf() const
+Foam::multiphaseMixtureScalar::calcStf() const
 {
     tmp<surfaceScalarField> tstf
     (
@@ -134,7 +134,7 @@ Foam::multiphaseMixture::calcStf() const
 
 // * * * * * * * * * * * * * * * * Constructors  * * * * * * * * * * * * * * //
 
-Foam::multiphaseMixture::multiphaseMixture
+Foam::multiphaseMixtureScalar::multiphaseMixtureScalar
 (
     const volVectorField& U,
     const surfaceScalarField& phi,
@@ -230,7 +230,7 @@ Foam::multiphaseMixture::multiphaseMixture
 // * * * * * * * * * * * * * * Member Functions  * * * * * * * * * * * * * * //
 
 Foam::tmp<Foam::volScalarField>
-Foam::multiphaseMixture::rho() const
+Foam::multiphaseMixtureScalar::rho() const
 {
     PtrDictionary<phase>::const_iterator iter = phases_.begin();
 
@@ -247,7 +247,7 @@ Foam::multiphaseMixture::rho() const
 
 
 Foam::tmp<Foam::scalarField>
-Foam::multiphaseMixture::rho(const label patchi) const
+Foam::multiphaseMixtureScalar::rho(const label patchi) const
 {
     PtrDictionary<phase>::const_iterator iter = phases_.begin();
 
@@ -264,9 +264,9 @@ Foam::multiphaseMixture::rho(const label patchi) const
 
 
 Foam::tmp<Foam::volScalarField>
-Foam::multiphaseMixture::mu() const
+Foam::multiphaseMixtureScalar::mu() const
 {
-    Info << "In multiphasemixture mu()" << endl;
+    Info << "In multiphaseMixtureScalar mu()" << endl;
     return rho()*nu();
 //    PtrDictionary<phase>::const_iterator iter = phases_.begin();
 
@@ -283,7 +283,7 @@ Foam::multiphaseMixture::mu() const
 
 
 Foam::tmp<Foam::scalarField>
-Foam::multiphaseMixture::mu(const label patchi) const
+Foam::multiphaseMixtureScalar::mu(const label patchi) const
 {
     PtrDictionary<phase>::const_iterator iter = phases_.begin();
 
@@ -306,7 +306,7 @@ Foam::multiphaseMixture::mu(const label patchi) const
 
 
 Foam::tmp<Foam::surfaceScalarField>
-Foam::multiphaseMixture::muf() const
+Foam::multiphaseMixtureScalar::muf() const
 {
 
     return nuf()*fvc::interpolate(rho());
@@ -327,13 +327,13 @@ Foam::multiphaseMixture::muf() const
 
 
 Foam::tmp<Foam::volScalarField>
-Foam::multiphaseMixture::nu() const
+Foam::multiphaseMixtureScalar::nu() const
 {
     return nu_;
 }
 
 Foam::tmp<Foam::scalarField>
-Foam::multiphaseMixture::nu(const label patchi) const
+Foam::multiphaseMixtureScalar::nu(const label patchi) const
 {
     //return nu_.boundaryField()[patchi];
     PtrDictionary<phase>::const_iterator iter = phases_.begin();
@@ -355,7 +355,7 @@ Foam::multiphaseMixture::nu(const label patchi) const
 
 
 Foam::tmp<Foam::surfaceScalarField>
-Foam::multiphaseMixture::nuf() const
+Foam::multiphaseMixtureScalar::nuf() const
 {
     //return muf()/fvc::interpolate(rho());
     PtrDictionary<phase>::const_iterator iter = phases_.begin();
@@ -374,7 +374,7 @@ Foam::multiphaseMixture::nuf() const
 }
 
 Foam::tmp<Foam::volScalarField>
-Foam::multiphaseMixture::Cp() const
+Foam::multiphaseMixtureScalar::Cp() const
 {
     PtrDictionary<phase>::const_iterator iter = phases_.begin();
 
@@ -395,7 +395,7 @@ Foam::multiphaseMixture::Cp() const
 }
 
 Foam::tmp<Foam::volScalarField>
-Foam::multiphaseMixture::kf() const
+Foam::multiphaseMixtureScalar::kf() const
 {
     PtrDictionary<phase>::const_iterator iter = phases_.begin();
 
@@ -417,7 +417,7 @@ Foam::multiphaseMixture::kf() const
 }
 
 Foam::tmp<Foam::volScalarField>
-Foam::multiphaseMixture::D() const
+Foam::multiphaseMixtureScalar::D() const
 {
     PtrDictionary<phase>::const_iterator iter = phases_.begin();
 
@@ -439,7 +439,7 @@ Foam::multiphaseMixture::D() const
 }
 
 Foam::tmp<Foam::volScalarField>
-Foam::multiphaseMixture::Cs() const
+Foam::multiphaseMixtureScalar::Cs() const
 {
     PtrDictionary<phase>::const_iterator iter = phases_.begin();
 
@@ -456,7 +456,7 @@ Foam::multiphaseMixture::Cs() const
 }
 
 Foam::tmp<Foam::surfaceScalarField>
-Foam::multiphaseMixture::diffusionCorrection() const
+Foam::multiphaseMixtureScalar::diffusionCorrection() const
 {
 
     surfaceScalarField numerator
@@ -517,7 +517,7 @@ Foam::multiphaseMixture::diffusionCorrection() const
     return correction;
 }
 
-void Foam::multiphaseMixture::solve()
+void Foam::multiphaseMixtureScalar::solve()
 {
     correct();
 
@@ -570,7 +570,7 @@ void Foam::multiphaseMixture::solve()
 }
 
 
-void Foam::multiphaseMixture::correct()
+void Foam::multiphaseMixtureScalar::correct()
 {
     forAllIter(PtrDictionary<phase>, phases_, iter)
     {
@@ -579,7 +579,7 @@ void Foam::multiphaseMixture::correct()
 }
 
 
-Foam::tmp<Foam::surfaceVectorField> Foam::multiphaseMixture::nHatfv
+Foam::tmp<Foam::surfaceVectorField> Foam::multiphaseMixtureScalar::nHatfv
 (
     const volScalarField& alpha1,
     const volScalarField& alpha2
@@ -605,7 +605,7 @@ Foam::tmp<Foam::surfaceVectorField> Foam::multiphaseMixture::nHatfv
 }
 
 
-Foam::tmp<Foam::surfaceScalarField> Foam::multiphaseMixture::nHatf
+Foam::tmp<Foam::surfaceScalarField> Foam::multiphaseMixtureScalar::nHatf
 (
     const volScalarField& alpha1,
     const volScalarField& alpha2
@@ -622,7 +622,7 @@ Foam::tmp<Foam::surfaceScalarField> Foam::multiphaseMixture::nHatf
 // The dynamic contact angle is calculated from the component of the
 // velocity on the direction of the interface, parallel to the wall.
 
-void Foam::multiphaseMixture::correctContactAngle
+void Foam::multiphaseMixtureScalar::correctContactAngle
 (
     const phase& alpha1,
     const phase& alpha2,
@@ -726,7 +726,7 @@ void Foam::multiphaseMixture::correctContactAngle
 }
 
 
-Foam::tmp<Foam::volScalarField> Foam::multiphaseMixture::K
+Foam::tmp<Foam::volScalarField> Foam::multiphaseMixtureScalar::K
 (
     const phase& alpha1,
     const phase& alpha2
@@ -742,7 +742,7 @@ Foam::tmp<Foam::volScalarField> Foam::multiphaseMixture::K
 
 
 Foam::tmp<Foam::volScalarField>
-Foam::multiphaseMixture::nearInterface() const
+Foam::multiphaseMixtureScalar::nearInterface() const
 {
     tmp<volScalarField> tnearInt
     (
@@ -768,7 +768,7 @@ Foam::multiphaseMixture::nearInterface() const
 }
 
 
-void Foam::multiphaseMixture::solveAlphas
+void Foam::multiphaseMixtureScalar::solveAlphas
 (
     const scalar cAlpha
 )
@@ -901,7 +901,7 @@ void Foam::multiphaseMixture::solveAlphas
 }
 
 
-bool Foam::multiphaseMixture::read()
+bool Foam::multiphaseMixtureScalar::read()
 {
     if (transportModel::read())
     {

applications/solvers/cfdemSolverMultiphaseScalar/multiphaseMixtureScalar/multiphaseMixtureScalar.H

@@ -17,10 +17,10 @@ License
     Copyright (C) 2018- Mathias Vångö, JKU Linz, Austria
 
 Class
-    multiphaseMixture
+    multiphaseMixtureScalar
 
 Description
-    This class is based on the OpenFOAM(R) Foam::multiphaseMixture class,
+    This class is based on the OpenFOAM(R) Foam::multiphaseMixtureScalar class,
     which is an incompressible multi-phase mixture with built in solution
     for the phase fractions with interface compression for interface-capturing.
     It has been extended to include the void fraction in the volume fraction
@@ -33,11 +33,11 @@ Description
     between each phase-pair.
 
 SourceFiles
-    multiphaseMixture.C
+    multiphaseMixtureScalar.C
 \*---------------------------------------------------------------------------*/
 
-#ifndef multiphaseMixture_H
+#ifndef multiphaseMixtureScalar_H
-#define multiphaseMixture_H
+#define multiphaseMixtureScalar_H
 
 #include "incompressible/transportModel/transportModel.H"
 #include "IOdictionary.H"
@@ -52,10 +52,10 @@ namespace Foam
 {
 
 /*---------------------------------------------------------------------------*\
-                      Class multiphaseMixture Declaration
+                      Class multiphaseMixtureScalar Declaration
 \*---------------------------------------------------------------------------*/
 
-class multiphaseMixture
+class multiphaseMixtureScalar
 :
     public IOdictionary,
     public transportModel
@@ -191,7 +191,7 @@ public:
     // Constructors
 
         //- Construct from components
-        multiphaseMixture
+        multiphaseMixtureScalar
         (
             const volVectorField& U,
             const surfaceScalarField& phi,
@@ -200,7 +200,7 @@ public:
 
 
     //- Destructor
-    virtual ~multiphaseMixture()
+    virtual ~multiphaseMixtureScalar()
     {}
 
 

applications/solvers/cfdemSolverMultiphaseScalar/multiphaseMixtureScalar/phase/phase.H

@@ -26,7 +26,7 @@ Class
 
 Description
     Single incompressible phase derived from the phase-fraction.
-    Used as part of the multiPhaseMixture for interface-capturing multi-phase
+    Used as part of the multiphaseMixtureScalar for interface-capturing multi-phase
     simulations.
 
 SourceFiles

applications/solvers/cfdemSolverPisoFreeStreaming/Make/options

@@ -12,7 +12,8 @@ EXE_INC = \
     -I$(CFDEM_SRC_DIR)/lagrangian/cfdemParticle/lnInclude \
     -I$(CFDEM_SRC_DIR)/lagrangian/cfdemParticle/cfdTools \
     -I$(CFDEM_SRC_DIR)/lagrangian/cfdemParticle/derived/cfdemCloudRec \
-    -I$(LIB_SRC)/sampling/lnInclude
+    -I$(LIB_SRC)/sampling/lnInclude \
+    -Wno-deprecated-copy
 
 EXE_LIBS = \
     -L$(CFDEM_LIB_DIR)\

applications/solvers/cfdemSolverRhoPimple/EEqn.H

@@ -51,8 +51,4 @@
     thermo.correct();
 
     Info<< "T max/min/ave : " << max(T).value() << " " << min(T).value() << " " << average(T).value() << endl;
-
-    particleCloud.clockM().start(31,"energySolve");
-    particleCloud.solve();
-    particleCloud.clockM().stop("energySolve");
 }

applications/solvers/cfdemSolverRhoPimpleChem/EEqn.H

@@ -55,8 +55,4 @@ fvScalarMatrix EEqn
     Info << "Cpv :" << max(Cpv).value() << " " << min(Cpv).value() << endl;
     Info<<  "T max/min : " << max(T).value() << " " << min(T).value() << endl;
     Info << "he max/min : " << max(he).value() << "  " << min(he).value() << endl;
-
-    particleCloud.clockM().start(31,"energySolve");
-    particleCloud.solve();
-    particleCloud.clockM().stop("energySolve");
 }

applications/solvers/cfdemSolverRhoPimpleChem/createFields.H

@@ -303,18 +303,4 @@
         mesh,
         dimensionedScalar("zero",dimensionSet(0, -3, 0, 0, 1),0)
     );
-
-    volScalarField dSauter
-    (
-        IOobject
-        (
-            "dSauter",
-            runTime.timeName(),
-            mesh,
-            IOobject::READ_IF_PRESENT,
-            IOobject::AUTO_WRITE
-        ),
-        mesh,
-        dimensionedScalar("zero",dimensionSet(0, 1, 0, 0, 0,0,0),0)
-    );
 //===============================

applications/solvers/rcfdemSolverCoupledHeattransfer/TEqn.H

@@ -1,4 +1,4 @@
-    volScalarField rhoeps = rhoRec*voidfractionRec;
+    rhoeps = rhoRec*voidfractionRec;
 
     particleCloud.energyContributions(Qsource);
 
@@ -23,10 +23,17 @@
         fvOptions(rhoeps, T)    // no fvOptions support yet
     );
 
-    fvOptions.constrain(TEqn); // no fvOptions support yet
+ //   fvOptions.constrain(TEqn); // no fvOptions support yet
+
+    TEqn.relax();
 
     TEqn.solve();
 
+    T = max(T, TMin);
+    T = min(T, TMax);
+
+    Info<< "T max/min/ave : " << max(T).value() << " " << min(T).value() << " " << average(T).value() << endl;
+
     particleCloud.clockM().start(31,"postFlow");
     counter++;
 

applications/solvers/rcfdemSolverCoupledHeattransfer/createFields.H

@@ -73,6 +73,9 @@
         dimensionedVector("zero", dimensionSet(0, 1, -1, 0, 0), vector::zero)
     );
 
+    volScalarField rhoeps("rhoeps", rhoRec*voidfractionRec);
+    rhoeps.oldTime(); // switch on saving old time
+
     // heat transfer fields
     Info << "\nCreating heat transfer fields.\n" << endl;
 
@@ -228,3 +231,25 @@
         )
     );
     weightDict.add("weights",scalarList(1,1.0));
+
+    dimensionedScalar TMax
+    (
+        dimensionedScalar::lookupOrDefault
+        (
+            "TMax",
+            transportProps,
+            dimTemperature,
+            GREAT
+        )
+    );
+
+    dimensionedScalar TMin
+    (
+        dimensionedScalar::lookupOrDefault
+        (
+            "TMin",
+            transportProps,
+            dimTemperature,
+            0.0
+        )
+    );

applications/solvers/rcfdemSolverCoupledHeattransfer/rcfdemSolverCoupledHeattransfer.C

@@ -98,7 +98,7 @@ int main(int argc, char *argv[])
 
         particleCloud.clockM().start(26,"Flow");
         #include "updateRho.H"
-        #include "TEqImp.H"
+        #include "TEqn.H"
         particleCloud.clockM().stop("Flow");
 
         stepCounter++;

applications/solvers/rcfdemSolverCoupledHeattransfer/updateRho.H

@@ -1 +1,2 @@
-rhoRec = pRec / (T * R);
+dimensionedScalar Tave = T.weightedAverage(voidfractionRec);
+rhoRec = pRec / (Tave * R);

applications/solvers/rcfdemSolverForcedTracers/Make/options

@@ -12,6 +12,7 @@ EXE_INC = \
     -I$(CFDEM_SRC_DIR)/lagrangian/cfdemParticle/cfdTools \
     -I$(CFDEM_SRC_DIR)/recurrence/lnInclude \
     -I$(CFDEM_SRC_DIR)/lagrangian/cfdemParticle/derived/cfdemCloudRec \
+    -Wno-deprecated-copy
 
 EXE_LIBS = \
     -L$(CFDEM_LIB_DIR)\
@@ -24,4 +25,4 @@ EXE_LIBS = \
     -lfvOptions \
     -l$(CFDEM_LIB_NAME) \
      $(CFDEM_ADD_LIB_PATHS) \
-$(CFDEM_ADD_LIBS)
+     $(CFDEM_ADD_LIBS)

applications/solvers/rcfdemSolverRhoSteadyPimple/EEqn.H

@@ -60,9 +60,4 @@
     thermo.correct();
 
     Info<< "T max/min : " << max(T).value() << " " << min(T).value() << endl;
-
-
-    particleCloud.clockM().start(31,"energySolve");
-    particleCloud.solve();
-    particleCloud.clockM().stop("energySolve");
 }

applications/solvers/rcfdemSolverRhoSteadyPimpleChem/EEqn.H

@@ -59,9 +59,4 @@
     thermo.correct();
 
     Info<< "T max/min : " << max(T).value() << " " << min(T).value() << endl;
-
-
-    particleCloud.clockM().start(31,"energySolve");
-    particleCloud.solve();
-    particleCloud.clockM().stop("energySolve");
 }

applications/solvers/rcfdemSolverRhoSteadyPimpleChem/Make/options

@@ -27,6 +27,7 @@ EXE_INC = \
     -I$(LIB_SRC)/ODE/lnInclude \
     -I$(LIB_SRC)/combustionModels/lnInclude \
     -I$(CFDEM_SRC_DIR)/recurrence/lnInclude \
+    -Wno-deprecated-copy
 
 EXE_LIBS = \
     -L$(CFDEM_LIB_DIR)\

applications/solvers/rctfSpeciesTransport/Make/options

@@ -12,6 +12,7 @@ EXE_INC = \
     -I$(CFDEM_SRC_DIR)/lagrangian/cfdemParticle/cfdTools \
     -I$(CFDEM_SRC_DIR)/recurrence/lnInclude \
     -I$(CFDEM_SRC_DIR)/lagrangian/cfdemParticle/derived/cfdemCloudRec \
+    -Wno-deprecated-copy
 
 EXE_LIBS = \
     -L$(CFDEM_LIB_DIR)\

applications/utilities/displacementField/displacementField.C

@@ -37,11 +37,19 @@ Application
 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 void findPairs(labelList &, labelList &, labelPairList &);
 void findPairsUnordered(labelList &, labelList &, labelPairList &);
-void fillEmptyCells(fvMesh &, label, label, labelList &, volVectorField &, volVectorField &, scalarList &, volVectorField &, volVectorField &, bool, scalar);
+void fillEmptyCells(fvMesh &, label, label, scalarList &, volVectorField &, volVectorField &, scalarList &, volVectorField &, volVectorField &, bool, scalar);
-void nearestNeighborCells(fvMesh &, label, label, label, labelList &, labelList &);
+void nearestNeighborCells(fvMesh &, label, label, label, scalarList &, labelList &);
-void normalizeFields(labelList &, volVectorField &, volVectorField &);
+void normalizeFields(scalarList &, volVectorField &, volVectorField &);
-void readDump(std::string, labelList &, vectorList &);
+void readDump(std::string, labelList &, scalarList &, vectorList &);
 scalar weightFun(scalar);
+label maxNumParticles = 1000000;
+scalar minVol = 1e-12;
+scalar Pi43 = 4.1888;
+label posIndex = -1;
+label posRad = -1;
+label posX = -1;
+label posY = -1;
+label posZ = -1;
 
 int main(int argc, char *argv[])
 {
@@ -88,6 +96,11 @@ int main(int argc, char *argv[])
     label dumpIndexDisplacementIncrement(readLabel(displacementProperties.lookup("dumpIndexDisplacementIncrement")));
     label nNeighMin(readLabel(displacementProperties.lookup("nNeighMin")));
     label maxSearchLayers(displacementProperties.lookupOrDefault<label>("maxSearchLayers",0));
+    posIndex = readLabel(displacementProperties.lookup("posIndex"));
+    posRad = readLabel(displacementProperties.lookup("posRad"));
+    posX = readLabel(displacementProperties.lookup("posX"));
+    posY = readLabel(displacementProperties.lookup("posY"));
+    posZ = readLabel(displacementProperties.lookup("posZ"));
     scalar timePerInputStep(readScalar(displacementProperties.lookup("timePerInputStep")));
     scalar timePerDisplacementStep(readScalar(displacementProperties.lookup("timePerDisplacementStep")));
     scalar startTime(readScalar(displacementProperties.lookup("startTime")));
@@ -95,7 +108,7 @@ int main(int argc, char *argv[])
     std::string fileext=string(displacementProperties.lookupOrDefault<string>("fileextension",""));
     bool interpolate=bool(displacementProperties.lookupOrDefault<bool>("fillEmptyCells",true));
     bool averageMode=bool(displacementProperties.lookupOrDefault<bool>("averageMode",false));
-    
+
     volVectorField defaultUs
     (
         IOobject
@@ -110,11 +123,11 @@ int main(int argc, char *argv[])
         dimensionedVector("zero", dimensionSet(0,1,-1,0,0), vector::zero)
     );
 
-    volVectorField defaultUsDirectedVariance
+    volVectorField defaultUsDirectedStdDev
     (
         IOobject
         (
-            "defaultUDispDirectedVariance",
+            "defaultUDispDirectedStdDev",
             runTime.timeName(),
             mesh,
             IOobject::READ_IF_PRESENT,
@@ -172,11 +185,11 @@ int main(int argc, char *argv[])
         dimensionedVector("zero", dimensionSet(0,1,-1,0,0), vector::zero)
     );
 
-    volVectorField UsDirectedVariance
+    volVectorField UsDirectedStdDev
     (
         IOobject
         (
-            "UDispDirectedVariance",
+            "UDispDirectedStdDev",
             runTime.timeName(),
             mesh,
             IOobject::NO_READ,
@@ -186,7 +199,7 @@ int main(int argc, char *argv[])
         dimensionedVector("zero", dimensionSet(0,1,-1,0,0), vector::zero)
     );
 
-    labelList particlesInCell(mesh.nCells(), 0);
+    scalarList particleVolInCell(mesh.nCells(), 0.0);
 
     scalar currTime=startTime + thisProc * timePerInputStep;
     label timeIndex=thisProc;
@@ -196,6 +209,7 @@ int main(int argc, char *argv[])
         runTime.setTime(currTime,timeIndex);
         // read dump files and check which particle indices are present in both
         labelList indices1, indices2;
+        scalarList radii1, radii2;
         vectorList positions1, positions2;
 
         std::stringstream ss;
@@ -209,13 +223,13 @@ int main(int argc, char *argv[])
         {
             if (averageMode)
             {
-                normalizeFields(particlesInCell, Us, UsDirectedVariance);
+                normalizeFields(particleVolInCell, Us, UsDirectedStdDev);
-                fillEmptyCells(mesh,nNeighMin,maxSearchLayers,particlesInCell,Us,UsDirectedVariance,boundaries,defaultUs,defaultUsDirectedVariance,interpolate,timePerDisplacementStep);
+                fillEmptyCells(mesh,nNeighMin,maxSearchLayers,particleVolInCell,Us,UsDirectedStdDev,boundaries,defaultUs,defaultUsDirectedStdDev,interpolate,timePerDisplacementStep);
 
                 Us /= timePerDisplacementStep;
-                UsDirectedVariance /= timePerDisplacementStep;
+                UsDirectedStdDev /= timePerDisplacementStep;
                 Us.write();
-                UsDirectedVariance.write();
+                UsDirectedStdDev.write();
             }
             break;
         }
@@ -225,8 +239,8 @@ int main(int argc, char *argv[])
         Info << "\t" << filename2 << endl;
         Info << "corresponding to time = " << currTime << "." << endl;
 
-        readDump(filename1, indices1, positions1);
+        readDump(filename1, indices1, radii1, positions1);
-        readDump(filename2, indices2, positions2);
+        readDump(filename2, indices2, radii2, positions2);
 
         labelPairList pairs;
         findPairs(indices1,indices2,pairs);
@@ -234,15 +248,16 @@ int main(int argc, char *argv[])
         // average particle displacements and their variance
         Info << "Binning particle displacements on mesh." << endl;
         vector position, displacement;
+        scalar radius, volume;
         label line1, line2;
         label cellI;
 
         if (!averageMode)
         {
             Us *= 0.0;
-            UsDirectedVariance *= 0.0;
+            UsDirectedStdDev *= 0.0;
-            particlesInCell.clear();
+            particleVolInCell.clear();
-            particlesInCell.setSize(mesh.nCells(), 0);
+            particleVolInCell.setSize(mesh.nCells(), 0);
         }
 
         for (label partI = 0; partI < pairs.size(); partI++)
@@ -250,27 +265,29 @@ int main(int argc, char *argv[])
             line1 = pairs[partI].first();
             line2 = pairs[partI].second();
             position = positions1[line1];
-            displacement = positions2[line2] - positions1[line1];
             cellI = mesh.findCell(position);
             if (cellI < 0)  continue;
-            particlesInCell[cellI] += 1;
+            displacement = positions2[line2] - positions1[line1];
-            Us[cellI] += displacement;
+            radius = radii1[line1];
+            volume = Pi43 * radius * radius * radius;
+            particleVolInCell[cellI] += volume;
+            Us[cellI] += displacement*volume;
 
             for (label comp=0;comp<3;comp++)
             {
-                UsDirectedVariance[cellI].component(comp) += displacement.component(comp)*displacement.component(comp);
+                UsDirectedStdDev[cellI].component(comp) += displacement.component(comp)*displacement.component(comp)*volume;
             }
         }
 
         if (!averageMode)
         {
-            normalizeFields(particlesInCell, Us, UsDirectedVariance);
+            normalizeFields(particleVolInCell, Us, UsDirectedStdDev);
-            fillEmptyCells(mesh,nNeighMin,maxSearchLayers,particlesInCell,Us,UsDirectedVariance,boundaries,defaultUs,defaultUsDirectedVariance,interpolate,timePerDisplacementStep);
+            fillEmptyCells(mesh,nNeighMin,maxSearchLayers,particleVolInCell,Us,UsDirectedStdDev,boundaries,defaultUs,defaultUsDirectedStdDev,interpolate,timePerDisplacementStep);
 
             Us /= timePerDisplacementStep;
-            UsDirectedVariance /= timePerDisplacementStep;
+            UsDirectedStdDev /= timePerDisplacementStep;
             Us.write();
-            UsDirectedVariance.write();
+            UsDirectedStdDev.write();
         }
 
         if (averageMode && monitorProbes)
@@ -280,7 +297,7 @@ int main(int argc, char *argv[])
             {
                 vector pos = probePoints[p];
                 label cellP = mesh.findCell(pos);
-                monitoringDataFile << " " << particlesInCell[cellP] << " " << Us[cellP]/timePerDisplacementStep << " " << UsDirectedVariance[cellP]/(timePerDisplacementStep*timePerDisplacementStep);
+                monitoringDataFile << " " << particleVolInCell[cellP] << " " << Us[cellP]/timePerDisplacementStep << " " << UsDirectedStdDev[cellP]/(timePerDisplacementStep*timePerDisplacementStep);
             }
             monitoringDataFile << endl;
         }
@@ -293,30 +310,69 @@ int main(int argc, char *argv[])
     return 0;
 }
 
-void readDump(std::string filename, labelList &indices, vectorList &positions)
+void readDump(std::string filename, labelList &indices, scalarList &radii, vectorList &positions)
 {
     #include <fstream>
 
     const label leadingLines = 9;
     label lineCounter = 0;
     label partIndex;
-    scalar x, y, z;
+    scalar r = 1.0, x = 0.0, y = 0.0, z = 0.0;
 
     indices.clear();
+    radii.clear();
     positions.clear();
 
+    indices.setSize(maxNumParticles);
+    radii.setSize(maxNumParticles);
+    positions.setSize(maxNumParticles);
+
     std::ifstream file(filename);
     std::string str;
+    std::string word;
+    label wordcounter;
     while (std::getline(file, str))
     {
         if (lineCounter >= leadingLines)
         {
-            sscanf(str.c_str(), "%d %lf %lf %lf", &partIndex, &x, &y, &z);
+            std::istringstream ss(str);
-            indices.append(partIndex);
+            wordcounter = 0;
-            positions.append(vector(x,y,z));
+            while (ss >> word)
+            {
+                if (wordcounter == posIndex)
+                {
+                    partIndex = stoi(word);
+                }
+                else if (wordcounter == posRad)
+                {
+                    r = stod(word);
+                }
+                else if (wordcounter == posX)
+                {
+                    x = stod(word);
+                }
+                else if (wordcounter == posY)
+                {
+                    y = stod(word);
+                }
+                else if (wordcounter == posZ)
+                {
+                    z = stod(word);
+                }
+                wordcounter++;
+            }
+//            sscanf(str.c_str(), "%d %lf %lf %lf", &partIndex, &x, &y, &z);
+            indices[lineCounter-leadingLines] = partIndex;
+            radii[lineCounter-leadingLines] = r;
+            positions[lineCounter-leadingLines] = vector(x,y,z);
         }
         lineCounter++;
     }
+
+    label readLines = lineCounter - leadingLines;
+    indices.resize(readLines);
+    radii.resize(readLines);
+    positions.resize(readLines);
 }
 
 void findPairs(labelList &indices1, labelList &indices2, labelPairList &pairs)
@@ -324,6 +380,10 @@ void findPairs(labelList &indices1, labelList &indices2, labelPairList &pairs)
     // remove all entries from first list if they are not present in second list
     // this assumes ordered entries
 
+    pairs.clear();
+    pairs.setSize(maxNumParticles);
+    label pairCounter = 0;
+
     if (indices2.size() == 0) return;
 
     for (label i=0;i<indices1.size();i++)
@@ -339,18 +399,23 @@ void findPairs(labelList &indices1, labelList &indices2, labelPairList &pairs)
             else if (indices2[jmid] < index1) j1 = jmid;
             else
             {
-                pairs.append(labelPair(i,jmid));
+                pairs[pairCounter]=labelPair(i,jmid);
+                pairCounter++;
                 break;
             }
             if (j2-j1 == 1) break;
         }
     }
+    pairs.resize(pairCounter);
     Info << "findPairs: " << pairs.size() << " pairs found." << endl;
 }
 
 void findPairsUnordered(labelList &indices1, labelList &indices2, labelPairList &pairs)
 {
     // remove all entries from first list if they are not present in second list
+    pairs.clear();
+    pairs.setSize(maxNumParticles);
+    label pairCounter = 0;
 
     for (label i=0;i<indices1.size();i++)
     {
@@ -358,15 +423,17 @@ void findPairsUnordered(labelList &indices1, labelList &indices2, labelPairList
         {
             if (indices1[i] == indices2[j])
             {
-                pairs.append(labelPair(i,j));
+                pairs[pairCounter]=labelPair(i,j);
+                pairCounter++;
                 break;
             }
         }
     }
+    pairs.resize(pairCounter);
     Info << "findPairs: " << pairs.size() << " pairs found." << endl;
 }
 
-void fillEmptyCells(fvMesh &mesh, label nNeighMin, label maxSearchLayers, labelList &particlesInCell, volVectorField &Us, volVectorField& UsDirectedVariance,scalarList& boundaries, volVectorField &defaultUs, volVectorField &defaultUsDirectedVariance, bool interpolate, scalar dt)
+void fillEmptyCells(fvMesh &mesh, label nNeighMin, label maxSearchLayers, scalarList &particleVolInCell, volVectorField &Us, volVectorField& UsDirectedStdDev,scalarList& boundaries, volVectorField &defaultUs, volVectorField &defaultUsDirectedStdDev, bool interpolate, scalar dt)
 {
     labelList neighborsWithValues;
     scalar neighborSqrDistance;
@@ -377,7 +444,7 @@ void fillEmptyCells(fvMesh &mesh, label nNeighMin, label maxSearchLayers, labelL
     Info << "Filling empty cells." << endl;
     forAll(mesh.C(), cellI)
     {
-        if (particlesInCell[cellI] > 0) continue;
+        if (particleVolInCell[cellI] > minVol) continue;
 
         vector position = mesh.C()[cellI];
         label outsideBox = 0;
@@ -388,11 +455,11 @@ void fillEmptyCells(fvMesh &mesh, label nNeighMin, label maxSearchLayers, labelL
         if (outsideBox > 0 || !interpolate)
         {
             Us[cellI] = defaultUs[cellI]*dt;
-            UsDirectedVariance[cellI] = defaultUsDirectedVariance[cellI]*dt;
+            UsDirectedStdDev[cellI] = defaultUsDirectedStdDev[cellI]*dt;
             continue;
         }
 
-        nearestNeighborCells(mesh, cellI, nNeighMin, maxSearchLayers, particlesInCell, neighborsWithValues);
+        nearestNeighborCells(mesh, cellI, nNeighMin, maxSearchLayers, particleVolInCell, neighborsWithValues);
         weightSum = 0.0;
         weights.clear();
         for (label neighI=0; neighI<neighborsWithValues.size(); neighI++)
@@ -406,13 +473,13 @@ void fillEmptyCells(fvMesh &mesh, label nNeighMin, label maxSearchLayers, labelL
         {
             weight = weights[neighI]/weightSum;
             Us[cellI] += weight*Us[neighborsWithValues[neighI]];
-            UsDirectedVariance[cellI] += weight*UsDirectedVariance[neighborsWithValues[neighI]];
+            UsDirectedStdDev[cellI] += weight*UsDirectedStdDev[neighborsWithValues[neighI]];
         }
-        
+
         if (neighborsWithValues.size() == 0)
         {
             Us[cellI] = defaultUs[cellI]*dt;
-            UsDirectedVariance[cellI] = defaultUsDirectedVariance[cellI]*dt;
+            UsDirectedStdDev[cellI] = defaultUsDirectedStdDev[cellI]*dt;
         }
 
         // make sure no particles are placed outside of domain
@@ -429,7 +496,7 @@ void fillEmptyCells(fvMesh &mesh, label nNeighMin, label maxSearchLayers, labelL
     }
 }
 
-void nearestNeighborCells(fvMesh &mesh, label refCell, label nNeighMin, label maxSearchLayers, labelList &particlesInCell, labelList &neighborsWithValues)
+void nearestNeighborCells(fvMesh &mesh, label refCell, label nNeighMin, label maxSearchLayers, scalarList &particleVolInCell, labelList &neighborsWithValues)
 {
     label numSearchLayers = 0;
     std::set<label> neighbors;
@@ -455,11 +522,11 @@ void nearestNeighborCells(fvMesh &mesh, label refCell, label nNeighMin, label ma
                 {
                     newNeighbors.insert(adj);
                     neighbors.insert(adj);
-                    if (particlesInCell[adj] > 0) neighborsWithValues.append(adj);
+                    if (particleVolInCell[adj] > minVol) neighborsWithValues.append(adj);
                 }
             }
         }
-        
+
         numSearchLayers++;
         if (numSearchLayers > maxSearchLayers && maxSearchLayers > 0) return;
 
@@ -470,18 +537,18 @@ void nearestNeighborCells(fvMesh &mesh, label refCell, label nNeighMin, label ma
     }
 }
 
-void normalizeFields(labelList& particlesInCell, volVectorField& Us, volVectorField & UsDirectedVariance)
+void normalizeFields(scalarList& particleVolInCell, volVectorField& Us, volVectorField & UsDirectedStdDev)
 {
-    for (label cellJ = 0; cellJ<particlesInCell.size(); cellJ++)
+    for (label cellJ = 0; cellJ<particleVolInCell.size(); cellJ++)
     {
-        if (particlesInCell[cellJ] > 0)
+        if (particleVolInCell[cellJ] > minVol)
         {
-            Us[cellJ] /= particlesInCell[cellJ];
+            Us[cellJ] /= particleVolInCell[cellJ];
-            UsDirectedVariance[cellJ] /= particlesInCell[cellJ];
+            UsDirectedStdDev[cellJ] /= particleVolInCell[cellJ];
             for (label comp=0;comp<3;comp++)
             {
-                UsDirectedVariance[cellJ].component(comp) -= Us[cellJ].component(comp)*Us[cellJ].component(comp);
+                UsDirectedStdDev[cellJ].component(comp) -= Us[cellJ].component(comp)*Us[cellJ].component(comp);
-                if (UsDirectedVariance[cellJ].component(comp) > 0) UsDirectedVariance[cellJ].component(comp) = Foam::sqrt(UsDirectedVariance[cellJ].component(comp));
+                if (UsDirectedStdDev[cellJ].component(comp) > 0) UsDirectedStdDev[cellJ].component(comp) = Foam::sqrt(UsDirectedStdDev[cellJ].component(comp));
             }
         }
     }

doc/CFDEMcoupling_models.txt

@@ -124,6 +124,7 @@ particleDeformation,
 potentialRelaxation,
 "surfaceTensionForce"_forceModel_surfaceTensionForce.html,
 terminalVelocity,
+"transferFluidProperties"_forceModel_transferFluidProperties.html,
 turbulentDispersion,
 turbulentVelocityFluctuations,
 "virtualMassForce"_forceModel_virtualMassForce.html,

doc/forceModel_ParmarBassetForce.txt

@@ -23,17 +23,19 @@ ParmarBassetForceProps
     nIntegral           scalar1;
     discretisationOrder scalar2;
     treatForceExplicit  switch1;
-    interpolation       switch2;
+    verbose             switch2;
+    interpolation       switch3;
     smoothingModel      "smoothingModel";
 \} :pre
 
 {U} = name of the finite volume fluid velocity field :ulb,l
 {Us} = name of the finite volume cell averaged particle velocity field :l
-{scalar1} = number of timesteps considered in the near history :l
+{scalar1} = number of timesteps considered in the near history (integer > 1):l
-{scalar2} = (1 or 2) discretisation order of the far history differential equations :l
+{scalar2} = (optional, default 1) discretisation order of the far history differential equations (1 or 2) :l
 {switch1} = (optional, default true) sub model switch, see "forceSubModel"_forceSubModel.html for details :l
 {switch2} = (optional, default false) sub model switch, see "forceSubModel"_forceSubModel.html for details :l
-{smoothingModel} = name of smoothing model for the dU/dt field :l
+{switch3} = (optional, default false) sub model switch, see "forceSubModel"_forceSubModel.html for details :l
+{smoothingModel} = name of smoothing model for the dUrel/dt field :l
 :ule
 
 [Examples:]

doc/forceModel_transferFluidProperties.txt

@@ -0,0 +1,42 @@
+"CFDEMproject Website"_lws - "Main Page"_main :c
+
+:link(lws,http://www.cfdem.com)
+:link(main,CFDEMcoupling_Manual.html)
+
+:line
+
+forceModel transferFluidProperties command :h3
+
+[Syntax:]
+
+Defined in "couplingProperties"_CFDEMcoupling_dicts.html#couplingProperties
+dictionary.
+
+forceModels
+(
+    transferFluidProperties
+);
+transferFluidPropertiesProps
+\{
+    verbose       switch1;
+    interpolation switch2;
+\} :pre
+
+{switch1} = (optional, default false) sub model switch, see "forceSubModel"_forceSubModel.html for details :ulb,l
+{switch2} = (optional, default false) sub model switch, see "forceSubModel"_forceSubModel.html for details :l
+:ule
+
+[Description:]
+
+This "force model" does not influence the particles or the flow - it transfer to fluid density and (dynamic)
+viscosity from OpenFOAM to LIGGGHTS.
+
+
+[Restrictions:]
+
+This model requires {fix cfd/coupling/fluidproperties} to work.
+
+[Related commands:]
+
+"forceModel"_forceModel.html
+

doc/smoothingModel_constDiffSmoothing.txt

@@ -15,17 +15,22 @@ dictionary.
 smoothingModel constDiffSmoothing;
 constDiffSmoothingProps
 \{
-    lowerLimit                    number1;
+    lowerLimit                        number1;
-    upperLimit                    number2;
+    upperLimit                        number2;
-    smoothingLength               lengthScale;
+    smoothingLength                   lengthScale;
-    smoothingLengthReferenceField lengthScaleRefField;
+    smoothingLengthReference          lengthScaleRef;
+    smoothingLengthFieldName          fieldName1;
+    smoothingLengthReferenceFieldName fieldName2;
     verbose;
 \} :pre
 
 {number1} = scalar fields will be bound to this lower value :ulb,l
 {number2} = scalar fields will be bound to this upper value :l
 {lengthScale} = length scale over which the exchange fields will be smoothed out :l
-{lengthScaleRefField} = length scale over which reference fields (e.g., the average particle velocity) will be smoothed out. Should be always larger than lengthScale. If not specified, will be equal to lengthScale. :l
+{lengthScaleRef} = (optional) length scale over which reference fields (e.g., the average particle velocity) will be smoothed out. Should be always larger than lengthScale. If not specified, will be equal to lengthScale. :l
+{fieldName1} = (optional) name of scalar field to be used as local smoothing length. :l
+{fieldName2} = (optional) name of scalar field to be used as local smoothing length for reference fields. :l
+
 {verbose} = (optional, default false) flag for debugging output :l
 :ule
 
@@ -51,6 +56,11 @@ which these reference fields are not specified. Values calculated in the cells
 e.g. the average particle velocity, which are not specified in all cells in case
 the flow is rather dilute.
 
+Alternative to {smoothingLength} and {smoothingLengthReference}, 
+{smoothingLengthFieldName} and/or {smoothingLengthReferenceFieldName} can be used
+to define spatial variation of the smoothing lengths. Either the scalar or field 
+options must be used, giving both will result in errors.
+
 [Restrictions:]
 
 This model is tested in a limited number of flow situations.

etc/library-list.txt

@@ -3,4 +3,4 @@ lagrangian/cfdemParticleComp/dir
 recurrence/dir
 finiteVolume/dir
 ../applications/solvers/cfdemSolverMultiphase/multiphaseMixture/dir
-../applications/solvers/cfdemSolverMultiphaseScalar/multiphaseMixture/dir
+../applications/solvers/cfdemSolverMultiphaseScalar/multiphaseMixtureScalar/dir

src/lagrangian/cfdemParticle/Make/files

@@ -96,6 +96,7 @@ $(forceModels)/potentialRelaxation/potentialRelaxation.C
 $(forceModels)/BeetstraDrag/BeetstraDrag.C
 $(forceModels)/BeetstraDragPoly/BeetstraDragPoly.C
 $(forceModels)/dSauter/dSauter.C
+$(forceModels)/transferFluidProperties/transferFluidProperties.C
 $(forceModels)/Fines/Fines.C
 $(forceModels)/Fines/FinesFields.C
 $(forceModels)/Fines/FanningDynFines.C

src/lagrangian/cfdemParticle/derived/cfdemCloudEnergy/cfdemCloudEnergy.C

@@ -274,6 +274,8 @@ bool cfdemCloudEnergy::evolve
 
 void cfdemCloudEnergy::postFlow()
 {
+    if (ignore()) return;
+
     cfdemCloud::postFlow();
     forAll(energyModel_, modeli)
     {
@@ -285,18 +287,6 @@ void cfdemCloudEnergy::postFlow()
     }
 }
 
-void cfdemCloudEnergy::solve()
-{
-    forAll(energyModel_, modeli)
-    {
-        energyModel_[modeli].solve();
-    }
-    forAll(massTransferModel_, modeli)
-    {
-        massTransferModel_[modeli].solve();
-    }
-}
-
 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
 } // End namespace Foam

src/lagrangian/cfdemParticle/derived/cfdemCloudEnergy/cfdemCloudEnergy.H

@@ -42,7 +42,7 @@ namespace Foam
 class energyModel;
 class massTransferModel;
 class thermCondModel;
-class diffCoeffModel;  
+class diffCoeffModel;
 class chemistryModel;
 /*---------------------------------------------------------------------------*\
                            Class cfdemCloudEnergy Declaration
@@ -142,8 +142,6 @@ public:
 
        void postFlow();
 
-       void solve();
-
 };
 
 

src/lagrangian/cfdemParticle/subModels/dataExchangeModel/twoWayOne2One/one2one.C

@@ -100,6 +100,7 @@ void One2One::setup
     comm_
   );
 
+  // count number of receives
   ncollected_ = 0;
   int nrequests = 0;
   for (int i = 0; i < nsrc_procs_; i++)
@@ -115,6 +116,18 @@ void One2One::setup
     }
   }
 
+  // count number of sends
+  if (nlocal_ > 0)
+  {
+    for (int i = 0; i < ndst_procs_; i++)
+    {
+      if (dst_procs_[i] != me_)
+      {
+        nrequests++;
+      }
+    }
+  }
+
   if (nrequests > 0)
   {
     request_ = new MPI_Request[nrequests];
@@ -143,23 +156,27 @@ void One2One::exchange(T *&src, T *&dst, int data_length)
     {
       if (src_procs_[i] != me_)
       {
-  #ifdef O2ODEBUG
+        int tag = (src_procs_[i] << 16) | me_;
-  std::cout<< "[" << me_ << "]"
+
-           << " RCV " << i
+        #ifdef O2ODEBUG
-           << " of "  << nsrc_procs_
+        std::cout<< "[" << me_ << "]"
-           << " from: " << src_procs_[i]
+                << " RCV " << (i+1)
-           << " natoms_[src_procs_[i]] " << natoms_[src_procs_[i]]
+                << " of "  << nsrc_procs_
-           << " datalength " << data_length
+                << " from: " << src_procs_[i]
-           << " offset " << offset
+                << " natoms_[src_procs_[i]] " << natoms_[src_procs_[i]]
-           << std::endl;
+                << " data_length " << data_length
-  #endif
+                << " offset " << offset
+                << " tag " << tag
+                << std::endl;
+        #endif
+
         MPI_Irecv
         (
           &dst[offset],
           natoms_[src_procs_[i]]*data_length,
           wrap.mpi_type,
           src_procs_[i],
-          MPI_ANY_TAG,
+          tag,
           comm_,
           &request_[requesti]
         );
@@ -168,16 +185,34 @@ void One2One::exchange(T *&src, T *&dst, int data_length)
       else // data is available on-proc
       {
         offset_local = offset;
+
+        #ifdef O2ODEBUG
+        std::cout<< "[" << me_ << "]"
+                << " RCV " << (i+1)
+                << " of "  << nsrc_procs_
+                << " from: " << src_procs_[i]
+                << " skipped (self)"
+                << " offset_local " << offset_local
+                << std::endl;
+        #endif
       }
     }
+    #ifdef O2ODEBUG
+    else
+    {
+      std::cout<< "[" << me_ << "]"
+              << " RCV " << (i+1)
+              << " of "  << nsrc_procs_
+              << " from: " << src_procs_[i]
+              << " skipped (no data)" 
+              << std::endl;      
+    }
+    #endif
+
     offset += natoms_[src_procs_[i]]*data_length;
   }
 
-  // make sure all receives are posted
+  // nonblocking sends
-  MPI_Barrier(comm_);
-
-  // blocking sends - do nonblocking instead
-  //                  since doing many-2-many here?
   // only do sends if I have particles
   if (nlocal_ > 0)
   {
@@ -185,29 +220,62 @@ void One2One::exchange(T *&src, T *&dst, int data_length)
     {
       if (dst_procs_[i] != me_)
       {
-    #ifdef O2ODEBUG
+        int tag = (me_ << 16) | dst_procs_[i];
-    std::cout<< "[" << me_ << "]"
+
-             << " SEND to: " << dst_procs_[i]
+        #ifdef O2ODEBUG
-             << " nlocal_ " << nlocal_
+        std::cout<< "[" << me_ << "]"
-             << " data_length " << data_length
+                << " SEND to: " << dst_procs_[i]
-             << std::endl;
+                << " nlocal_ " << nlocal_
-    #endif
+                << " data_length " << data_length
-        MPI_Send
+                << " tag " << tag
+                << std::endl;
+        #endif
+
+        MPI_Isend
         (
           src,
           nlocal_*data_length,
           wrap.mpi_type,
           dst_procs_[i],
-          0,
+          tag,
-          comm_
+          comm_,
+          &request_[requesti]
         );
+        requesti++;
       }
+      #ifdef O2ODEBUG
+      else
+      {
+        std::cout<< "[" << me_ << "]"
+                << " SEND to: " << dst_procs_[i]
+                << " skipped (self)" << std::endl;
+      }
+      #endif
     }
   }
+  #ifdef O2ODEBUG
+  else
+  {
+    std::cout<< "[" << me_ << "]" << " SEND skipped (no data)" << std::endl;
+  }
+  #endif
 
   // only wait if requests were actually posted
   if (requesti > 0)
+  {
+    #ifdef O2ODEBUG
+    std::cout<< "[" << me_ << "]"
+            << " WAIT for: " << requesti << " requests" << std::endl;
+    #endif
+
     MPI_Waitall(requesti, request_, status_);
+  }
+  #ifdef O2ODEBUG
+  else
+  {
+    std::cout<< "[" << me_ << "]" << " WAIT skipped (no requests)" << std::endl;
+  }
+  #endif
 
   // copy on-proc data
   if (offset_local > -1)
@@ -223,6 +291,13 @@ void One2One::exchange(T *&src, T *&dst, int data_length)
       dst[locali+offset_local] = src[locali];
     }
   }
+
+  // wait for all procs to complete data exchange
+  #ifdef O2ODEBUG
+  std::cout<< "[" << me_ << "] BARRIER" << std::endl;
+  #endif
+
+  MPI_Barrier(comm_);
 }
 
 template void One2One::exchange<int>(int*&, int*&, int);

src/lagrangian/cfdemParticle/subModels/dataExchangeModel/twoWayOne2One/twoWayOne2One.C

@@ -183,6 +183,7 @@ void twoWayOne2One::createProcMap()
         point(ligbb[0][0], ligbb[0][1], ligbb[0][2]),
         point(ligbb[1][0], ligbb[1][1], ligbb[1][2])
     );
+    delete [] ligbb;
     if (boundBoxMargin_ > 0.)
     {
         thisLigBox.max() = thisLigBox.max() + boundBoxMargin_ * vector::one;
@@ -230,6 +231,7 @@ twoWayOne2One::~twoWayOne2One()
 {
     delete foam2lig_;
     delete lig2foam_;
+    delete [] lig2foam_mask_;
 
     destroy(lig2foam_ids_);
     destroy(foam2lig_ids_);
@@ -777,10 +779,7 @@ void twoWayOne2One::locateParticles()
         lig2foam_->exchange(my_prev_cell_ids, prev_cell_ids_);
     }
 
-    if (lig2foam_mask_)
+    delete [] lig2foam_mask_;
-    {
-        delete [] lig2foam_mask_;
-    }
     lig2foam_mask_ = new bool[lig2foam_->ncollected_];
 
     DynamicList<label> cellIds;

src/lagrangian/cfdemParticle/subModels/energyModel/energyModel/energyModel.H

@@ -105,8 +105,6 @@ public:
 
         virtual void postFlow() {}
 
-        virtual void solve() {}
-
         const volScalarField& kf0Field() const;
 
         const volScalarField& CpField() const;
@@ -116,7 +114,6 @@ public:
             return 0.0;
         }
 
-
 };
 
 

src/lagrangian/cfdemParticle/subModels/forceModel/BeetstraDrag/BeetstraDrag.C

@@ -77,7 +77,6 @@ BeetstraDrag::BeetstraDrag
     particleCloud_.probeM().vectorFields_.append("dragForce"); //first entry must  be the force
     particleCloud_.probeM().vectorFields_.append("Urel");
     particleCloud_.probeM().scalarFields_.append("Rep");
-    particleCloud_.probeM().scalarFields_.append("betaP");
     particleCloud_.probeM().scalarFields_.append("voidfraction");
     particleCloud_.probeM().writeHeader();
 

src/lagrangian/cfdemParticle/subModels/forceModel/ParmarBassetForce/ParmarBassetForce.C

@@ -34,7 +34,6 @@ Description
 #include "ParmarBassetForce.H"
 #include "addToRunTimeSelectionTable.H"
 #include "smoothingModel.H"
-#include "constDiffSmoothing.H"
 
 
 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
@@ -71,17 +70,18 @@ ParmarBassetForce::ParmarBassetForce
     U_(sm.mesh().lookupObject<volVectorField> (velFieldName_)),
     UsFieldName_(propsDict_.lookup("granVelFieldName")),
     Us_(sm.mesh().lookupObject<volVectorField> (UsFieldName_)),
-    nInt_(readLabel(propsDict_.lookup("nIntegral"))),
+    nInt_(propsDict_.lookupOrDefault<int>("nIntegral", -1)),
-    discOrder_(readLabel(propsDict_.lookup("discretisationOrder"))),
+    discOrder_(propsDict_.lookupOrDefault<int>("discretisationOrder", 1)),
-    nHist_(nInt_+discOrder_+1),
+    ddtUrelHistSize_(nInt_+discOrder_),
-    FHistSize_(2*discOrder_+1),
+    rHistSize_(nInt_),
-    ddtUrelHist_(nHist_,NULL),                     // UrelHist_[ndt in past][particle ID][dim]
+    FHistSize_(2*discOrder_),
-    rHist_(nHist_,NULL),                           // rHist_[ndt in past][particle ID][0]
+    ddtUrelHistRegName_(typeName + "ddtUrelHist"),  // indexed as: ddtUrelHist_[particle ID][iDim*ddtUrelHistSize_+iHist]
-    FHist_(2,List<double**>(FHistSize_,NULL)),     // FHist_[k={1,2}-1][ndt in past][particle ID][dim]
+    rHistRegName_(typeName + "rHist"),              // indexed as: rHist_[particle ID][iHist]
-    gH0_(NULL),
+    FHistRegName_(typeName + "FHist"),              // indexed as: ddtUrelHist_[particle ID][iDim*FHistSize_*2+iHist*2+k]
-    tRef_(NULL),
+    gH0RegName_(typeName + "gH0"),
-    mRef_(NULL),
+    tRefRegName_(typeName + "tRef"),
-    lRef_(NULL),
+    mRefRegName_(typeName + "mRef"),
+    lRefRegName_(typeName + "lRef"),
     Urel_
     (   IOobject
         (
@@ -115,12 +115,12 @@ ParmarBassetForce::ParmarBassetForce
         )
     )
 {
-
     // init force sub model
     setForceSubModels(propsDict_);
     // define switches which can be read from dict
     forceSubM(0).setSwitchesList(SW_TREAT_FORCE_EXPLICIT,true); // activate treatExplicit switch
     forceSubM(0).setSwitchesList(SW_INTERPOLATION,true); // activate search for interpolate switch
+    forceSubM(0).setSwitchesList(SW_VERBOSE,true); // activate search for verbose switch
     forceSubM(0).readSwitches();
 
     //Extra switches/settings
@@ -129,15 +129,23 @@ ParmarBassetForce::ParmarBassetForce
     if (discOrder_ < 1 || discOrder_ > 2)
         FatalError << "Parmar Basset Force: Discretisation order > 2 not implemented!" << abort(FatalError);
 
+    if (nInt_ < 1)
+        FatalError << "Parmar Basset Force: nIntegral missing or invalid, must be > 1" << abort(FatalError);
+
+    // allocate particle properties
+    particleCloud_.registerParticleProperty<double**>(ddtUrelHistRegName_,3*ddtUrelHistSize_,NOTONCPU,false);
+    particleCloud_.registerParticleProperty<double**>(      rHistRegName_,        rHistSize_,NOTONCPU,false);
+    particleCloud_.registerParticleProperty<double**>(      FHistRegName_,      6*FHistSize_,NOTONCPU,false);
+    particleCloud_.registerParticleProperty<double**>(        gH0RegName_,                1 ,NOTONCPU,false);
+    particleCloud_.registerParticleProperty<double**>(       tRefRegName_,                1 ,NOTONCPU,false);
+    particleCloud_.registerParticleProperty<double**>(       mRefRegName_,                1 ,NOTONCPU,false);
+    particleCloud_.registerParticleProperty<double**>(       lRefRegName_,                1 ,NOTONCPU,false);
+
     //Append the field names to be probed
     particleCloud_.probeM().initialize(typeName, typeName+".logDat");
     particleCloud_.probeM().vectorFields_.append("ParmarBassetForce"); //first entry must the be the force
     particleCloud_.probeM().vectorFields_.append("Urel");
     particleCloud_.probeM().vectorFields_.append("ddtUrel");
-    //
-    particleCloud_.probeM().vectorFields_.append("UrelNoSmooth");
-    particleCloud_.probeM().vectorFields_.append("ddtUrelNoSmooth");
-    //
     particleCloud_.probeM().vectorFields_.append("Fshort");
     particleCloud_.probeM().vectorFields_.append("Flong1");
     particleCloud_.probeM().vectorFields_.append("Flong2");
@@ -158,20 +166,6 @@ ParmarBassetForce::ParmarBassetForce
 
 ParmarBassetForce::~ParmarBassetForce()
 {
-    particleCloud_.dataExchangeM().destroy(gH0_,    1);
-    particleCloud_.dataExchangeM().destroy(tRef_,   1);
-    particleCloud_.dataExchangeM().destroy(mRef_,   1);
-    particleCloud_.dataExchangeM().destroy(lRef_,   1);
-
-    for (int i=0; i<nHist_; i++)
-    {
-        particleCloud_.dataExchangeM().destroy(ddtUrelHist_[i],3);
-        particleCloud_.dataExchangeM().destroy(rHist_      [i],1);
-    }
-
-    for (int i=0; i<FHistSize_; i++)
-        for (int k=0; k<2; k++)
-            particleCloud_.dataExchangeM().destroy(FHist_[k][i],3);
 
 }
 
@@ -180,16 +174,18 @@ ParmarBassetForce::~ParmarBassetForce()
 
 void ParmarBassetForce::setForce() const
 {
-    // allocate arrays
+    double**& ddtUrelHist_ = particleCloud_.getParticlePropertyRef<double**>(ddtUrelHistRegName_);
-    if(particleCloud_.numberOfParticlesChanged())
+    double**& rHist_       = particleCloud_.getParticlePropertyRef<double**>(      rHistRegName_);
-        reAllocArrays();
+    double**& FHist_       = particleCloud_.getParticlePropertyRef<double**>(      FHistRegName_);
+    double**& gH0_         = particleCloud_.getParticlePropertyRef<double**>(        gH0RegName_);
+    double**& tRef_        = particleCloud_.getParticlePropertyRef<double**>(       tRefRegName_);
+    double**& mRef_        = particleCloud_.getParticlePropertyRef<double**>(       mRefRegName_);
+    double**& lRef_        = particleCloud_.getParticlePropertyRef<double**>(       lRefRegName_);
 
     vector position(0,0,0);
     vector Urel(0,0,0);
     vector ddtUrel(0,0,0);
 
-    scalar t0min    = 0.00;
-
     const volScalarField& nufField = forceSubM(0).nuField();
     const volScalarField& rhoField = forceSubM(0).rhoField();
 
@@ -220,26 +216,17 @@ void ParmarBassetForce::setForce() const
     Urel_ = Us_ - U_;
     ddtUrel_ = fvc::ddt(Us_) - fvc::ddt(U_) - (Us_ & fvc::grad(U_));
 
-    //
-    volVectorField UrelNoSmooth_ = Urel_;
-    volVectorField ddtUrelNoSmooth_ = ddtUrel_;
-    //
-
     smoothingM().smoothen(Urel_);
     smoothingM().smoothen(ddtUrel_);
 
     interpolationCellPoint<vector> UrelInterpolator_(Urel_);
     interpolationCellPoint<vector> ddtUrelInterpolator_(ddtUrel_);
 
-    //
-    interpolationCellPoint<vector> UrelNoSmoothInterpolator_(UrelNoSmooth_);
-    interpolationCellPoint<vector> ddtUrelNoSmoothInterpolator_(ddtUrelNoSmooth_);
-    //
-
     for(int index = 0;index <  particleCloud_.numberOfParticles(); index++)
     {
             vector ParmarBassetForce(0,0,0);
             vector Fshort(0,0,0);
+            vector Flong[2]={vector::zero, vector::zero};
             label  cellI = particleCloud_.cellIDs()[index][0];
 
             if (cellI > -1) // particle Found
@@ -268,12 +255,13 @@ void ParmarBassetForce::setForce() const
 
                 if (gH0_[index][0]!=NOTONCPU)
                 {
-                    r = pow(gH0_[index][0]/gH,1.5); // Eq. 3.4
+                    scalar gHratio = gH0_[index][0]/gH;
+                    r = gHratio*sqrt(gHratio); // gHratio^1.5, Eq. 3.4
 
                     if (r<0.25 || r>2.0)
                     {
-                        gH0_[index][0]            = NOTONCPU; //reset reference
+                        gH0_[index][0]         = NOTONCPU; //reset reference
-                        ddtUrelHist_[0][index][0] = NOTONCPU; //reset ddtU history (only component used for checking nKnown)
+                        ddtUrelHist_[index][0] = NOTONCPU; //reset ddtU history (only component used for checking nKnown)
                     }
 
                 }
@@ -285,7 +273,7 @@ void ParmarBassetForce::setForce() const
                     scalar Vs   = rs*rs*rs*M_PI*4/3;
                     scalar mRef = Vs*rhoField[cellI] * gH * 5.2863;             // 9/(2*sqrt(pi))*(256/pi)^(1/6) = 5.2863 (Eq. 3.2)
 
-                    gH0_[index][0] = gH;
+                    gH0_[index][0]  = gH;
                     tRef_[index][0] = tRef;
                     mRef_[index][0] = mRef;
                     lRef_[index][0] = rs;
@@ -298,29 +286,15 @@ void ParmarBassetForce::setForce() const
                 scalar dt     = U_.mesh().time().deltaT().value() / tRef_[index][0];  // dim.less
                 scalar t0     = nInt_*dt; // dim.less
 
-                //********* update histories *********//
-
                 // non-dimensionlise
                 Urel    /= mps;
                 ddtUrel /= mpss;
 
-                // update ddtUrel  and r history
-                update_ddtUrelHist(ddtUrel,index); // add current dim.less ddtUrel to history
-                update_rHist(r,index); // add current r to history
-
-                // warning and reset for too small t0
-                if (t0<t0min)
-                {
-                    Pout << "ParmarBassetForce WARNING: t0 = " << t0 << " at ID = " << index <<  endl;
-                    gH0_[index][0]            = NOTONCPU; //reset reference
-                    ddtUrelHist_[0][index][0] = NOTONCPU; //reset ddtU history (only component used for checking nKnown)
-                }
-
                 // check length of known history
-                int nKnown = 0;
+                int nKnown = 1; // we always know the current step
-                for (int j=0; j<nHist_; j++) // loop over past times
+                for (int j=0; j<ddtUrelHistSize_; j++) // loop over past times
                 {
-                    if (ddtUrelHist_[j][index][0] == NOTONCPU)
+                    if (ddtUrelHist_[index][j] == NOTONCPU)
                         break;
                     else
                         nKnown++;
@@ -332,117 +306,92 @@ void ParmarBassetForce::setForce() const
                 int nShort = min(nKnown,nInt_+1);
 
                 // int_0^dt K(r,xi) dxi * ddtU(t) dxi (singularity treated by assuming constant acceleration)
-                if (nShort>0)
+                for (int i=0; i<3; i++) // loop over dimensions
-                {
+                    Fshort[i] = -calculateK0(r,dt) * ddtUrel[i];
-                    for (int i=0; i<3; i++) // loop over dimensions
-                        Fshort[i] = -calculateK0(r,dt) * ddtUrelHist_[0][index][i];
-                }
 
                 // int_dt^t0 K(r,xi) * ddtU(t-xi) dxi (trapezoid rule)
                 if (nShort>2)
                 {
-                    for (int j=1; j<nShort; j++)
+                    for (int j=0; j<(nShort-1); j++) // we don't use the current step here, hence nShort-1
                     {
-                        scalar xi = j*dt;
+                        scalar xi = (j+1)*dt;
-                        scalar K  = pow((pow(xi,.25) + rHist_[j][index][0]*xi),-2.); // Eq. 3.4
+                        scalar invsqrtK = sqrt(sqrt(xi)) + rHist_[index][j]*xi; // K^-0.5
+                        scalar K  = 1./(invsqrtK*invsqrtK); // Eq. 3.4
 
                         for (int i=0; i<3; i++) // loop over dimensions
-                            Fshort[i] -= trapWeight(j,nShort) * K * ddtUrelHist_[j][index][i] * dt;
+                            Fshort[i] -= trapWeight(j,nShort-1) * K * ddtUrelHist_[index][i*ddtUrelHistSize_+j] * dt;
                     }
                 }
 
                 //********* long term force computing (differential form) *********//
 
-                // update F1, F2 history
-                update_FHist(vector::zero,vector::zero,index);
-
                 // initialise ddtUrel(t0) and Flong(:) as 0 and r(t0) as 1
                 if (nKnown == nInt_)
                 {
-                    for (int j=nInt_; j<nHist_; j++) // loop over past times
+                    // initialise the histories beyond nInt
-                    {
+                    for (int j=nInt_-1; j<rHistSize_; j++) // loop over past times
-                        rHist_[j][index][0] = 1.;
+                        rHist_[index][j] = 1.;
+
+                    for (int j=nInt_-1; j<ddtUrelHistSize_; j++) // loop over past times
                         for (int i=0; i<3; i++) // loop over dimensions
-                            ddtUrelHist_[j][index][i] = 0.0;
+                            ddtUrelHist_[index][i*ddtUrelHistSize_+j] = 0.0;
-                    }
 
                     for (int k=0; k<2; k++) // loop over F1, F2
                         for (int j=0; j<FHistSize_; j++) // loop over past times
                             for (int i=0; i<3; i++) // loop over dimensions
-                                FHist_[k][j][index][i] = 0.0;
+                                FHist_[index][i*FHistSize_*2+j*2+k] = 0.0;
-                    nKnown = nHist_;
+                    nKnown = ddtUrelHistSize_+1;
                 }
 
                 // solve ODEs
-                if (nKnown == nHist_)
+                if (nKnown == ddtUrelHistSize_+1)
                 {
                     for (int k=0; k<2; k++) // loop over F1, F2
                     {
                         //calculate coefficients
                         double C[4];
-                        calculateCoeffs(k,t0,rHist_[nInt_][index][0],c,chi,C);
+                        calculateCoeffs(k,t0,rHist_[index][nInt_-1],c,chi,C);
 
                         // solve Eq. 3.20
-                        solveFlongODE(k,C,dt,index);
+                        Flong[k] = solveFlongODE(FHist_,ddtUrelHist_,k,C,dt,index);
                     }
                 }
 
+                //********* update histories *********//
+                update_ddtUrelHist(ddtUrelHist_,ddtUrel,index); // add current dim.less ddtUrel to history
+                update_rHist(rHist_,r,index); // add current r to history
+                update_FHist(FHist_,Flong[0],Flong[1],index);
+
                 //********* total force *********//
 
                 // sum and convert to N
-                for (int i=0; i<3; i++) // loop over dimensions
+                ParmarBassetForce = Fshort;
-                {
+                for (int k=0; k<2; k++) // loop over F1, F2
-                    ParmarBassetForce[i] = Fshort[i];
+                    ParmarBassetForce += Flong[k];
-                    for (int k=0; k<2; k++) // loop over F1, F2
-                        ParmarBassetForce[i] += FHist_[k][0][index][i];
-                }
                 ParmarBassetForce *= newton;
 
+                if (forceSubM(0).verbose() && index >= 0 && index < 2)
+                {
+                    Pout << "cellI = " << cellI << endl;
+                    Pout << "index = " << index << endl;
+                    Pout << "Fshort = " << Fshort*newton << endl;
+                    Pout << "Flong1 = " << Flong[0]*newton << endl;
+                    Pout << "Flong2 = " << Flong[1]*newton << endl;
+                    Pout << "Ftotal = " << ParmarBassetForce << endl;
+                }
+
                 // Set value fields and write the probe
                 if(probeIt_)
                 {
                     scalar ReRef = 0.75/(gH0_[index][0]-0.105);
 
-                    vector Flong1(0,0,0);
-                    vector Flong2(0,0,0);
-
-                    for (int i=0; i<3; i++) // loop over dimensions
-                    {
-                        Flong1[i] = FHist_[0][0][index][i];
-                        Flong2[i] = FHist_[1][0][index][i];
-                    }
-
-                    //
-                    // relative velocity (m/s)
-                    vector UrelNoSmooth;
-                    vector ddtUrelNoSmooth;
-
-                    if(forceSubM(0).interpolation())
-                        UrelNoSmooth = UrelNoSmoothInterpolator_.interpolate(position,cellI);
-                    else
-                        UrelNoSmooth = UrelNoSmooth_[cellI];
-
-                    // acceleration (m/s2)
-                    if(forceSubM(0).interpolation())
-                        ddtUrelNoSmooth = ddtUrelNoSmoothInterpolator_.interpolate(position,cellI);
-                    else
-                        ddtUrelNoSmooth = ddtUrelNoSmooth_[cellI];
-
-                    UrelNoSmooth /= mps;
-                    ddtUrelNoSmooth /= mpss;
-                    //
-
                     #include "setupProbeModelfields.H"
                     vValues.append(ParmarBassetForce);           //first entry must the be the force
                     vValues.append(Urel);
                     vValues.append(ddtUrel);
-                    //
-                    vValues.append(UrelNoSmooth);
-                    vValues.append(ddtUrelNoSmooth);
-                    //
                     vValues.append(Fshort);
-                    vValues.append(Flong1);
+                    vValues.append(Flong[0]);
-                    vValues.append(Flong2);
+                    vValues.append(Flong[1]);
                     sValues.append(ReRef);
                     sValues.append(tRef_[index][0]);
                     sValues.append(mRef_[index][0]);
@@ -456,8 +405,8 @@ void ParmarBassetForce::setForce() const
             else
             {
                 // not on CPU
-                gH0_[index][0]            = NOTONCPU; //reset reference
+                gH0_[index][0]         = NOTONCPU; //reset reference
-                ddtUrelHist_[0][index][0] = NOTONCPU; //reset ddtU history (only component used for checking nKnown)
+                ddtUrelHist_[index][0] = NOTONCPU; //reset ddtU history (only component used for checking nKnown)
             }
 
             // write particle based data to global array
@@ -465,32 +414,11 @@ void ParmarBassetForce::setForce() const
     }
 }
 
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-void Foam::ParmarBassetForce::reAllocArrays() const
-{
-    Pout << "ParmarBassetForce::reAllocArrays..." << endl;
-
-    particleCloud_.dataExchangeM().allocateArray(gH0_,     NOTONCPU,1);
-    particleCloud_.dataExchangeM().allocateArray(tRef_,    NOTONCPU,1);
-    particleCloud_.dataExchangeM().allocateArray(mRef_,    NOTONCPU,1);
-    particleCloud_.dataExchangeM().allocateArray(lRef_,    NOTONCPU,1);
-
-    for (int i=0; i<nHist_; i++)
-    {
-        particleCloud_.dataExchangeM().allocateArray(ddtUrelHist_[i],NOTONCPU,3);
-        particleCloud_.dataExchangeM().allocateArray(rHist_      [i],NOTONCPU,1);
-    }
-
-    for (int i=0; i<2*discOrder_+1; i++)
-        for (int k=0; k<2; k++)
-            particleCloud_.dataExchangeM().allocateArray(FHist_[k][i],0.0,3);
-}
-
 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 scalar Foam::ParmarBassetForce::calculateK0(scalar r, scalar dt) const
 {
     scalar cbrtr = cbrt(r); // cube root of r
-    scalar gamma = cbrtr*pow(dt,0.25);
+    scalar gamma = cbrtr*sqrt(sqrt(dt));
 
     /*
     scalar K0 = 2./(9.*pow(r,0.666)) *
@@ -513,44 +441,44 @@ scalar Foam::ParmarBassetForce::calculateK0(scalar r, scalar dt) const
 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 scalar Foam::ParmarBassetForce::trapWeight(int i, int n) const
 {
-    if ( (i==1) || (i==(n-1)) )
+    if ( (i==0) || (i==(n-1)) )
         return 0.5;
     else
         return 1.0;
 }
 
 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-void Foam::ParmarBassetForce::update_ddtUrelHist(const vector& ddtUrel, int index) const
+void Foam::ParmarBassetForce::update_ddtUrelHist(double**& ddtUrelHist_, const vector& ddtUrel, int index) const
 {
     for (int i=0; i<3; i++) // loop over dimensions
     {
-        for (int j=nHist_-1; j>0; j--) // loop over past times
+        for (int j=ddtUrelHistSize_-1; j>0; j--) // loop over past times
-            ddtUrelHist_[j][index][i] = ddtUrelHist_[j-1][index][i];
+            ddtUrelHist_[index][i*ddtUrelHistSize_+j] = ddtUrelHist_[index][i*ddtUrelHistSize_+j-1];
 
-        ddtUrelHist_[0][index][i] = ddtUrel[i];
+        ddtUrelHist_[index][i*ddtUrelHistSize_] = ddtUrel[i];
     }
 }
 
 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-void Foam::ParmarBassetForce::update_rHist(scalar r, int index) const
+void Foam::ParmarBassetForce::update_rHist(double**& rHist_, scalar r, int index) const
 {
-    for (int j=nHist_-1; j>0; j--) // loop over past times
+    for (int j=rHistSize_-1; j>0; j--) // loop over past times
-        rHist_[j][index][0] = rHist_[j-1][index][0];
+        rHist_[index][j] = rHist_[index][j-1];
 
-    rHist_[0][index][0] = r;
+    rHist_[index][0] = r;
 }
 
 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-void Foam::ParmarBassetForce::update_FHist(const vector& F1, const vector& F2, int index) const
+void Foam::ParmarBassetForce::update_FHist(double**& FHist_, const vector& F1, const vector& F2, int index) const
 {
     for (int i=0; i<3; i++) // loop over dimensions
     {
         for (int k=0; k<2; k++) // loop over F1, F2
             for (int j=FHistSize_-1; j>0; j--) // loop over past times
-                FHist_[k][j][index][i] = FHist_[k][j-1][index][i];
+                FHist_[index][i*FHistSize_*2+j*2+k] = FHist_[index][i*FHistSize_*2+(j-1)*2+k];
 
-        FHist_[0][0][index][i] = F1[i];
+        FHist_[index][i*FHistSize_*2  ] = F1[i];
-        FHist_[1][0][index][i] = F2[i];
+        FHist_[index][i*FHistSize_*2+1] = F2[i];
     }
 }
 
@@ -564,18 +492,20 @@ void Foam::ParmarBassetForce::calculateCoeffs(int k, scalar t0, scalar r, double
     }
 }
 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-void Foam::ParmarBassetForce::solveFlongODE(int k, double C[4], scalar dt, int index) const
+vector Foam::ParmarBassetForce::solveFlongODE(double**& FHist_, double**& ddtUrelHist_, int k, double C[4], scalar dt, int index) const
 {
+    vector Flong = vector::zero;
+
     if (discOrder_==1)
     {
         for (int i=0; i<3; i++) // loop over dimensions
         {
-            FHist_[k][0][index][i] =
+            Flong[i] = 
                     (
-                        (     C[1]/dt+2/(dt*dt)) * FHist_[k][1][index][i]
+                        (     C[1]/dt+2/(dt*dt)) * FHist_[index][i*FHistSize_*2  +k]
-                      - (             1/(dt*dt)) * FHist_[k][2][index][i]
+                      - (             1/(dt*dt)) * FHist_[index][i*FHistSize_*2+2+k]
-                      - (C[2]+C[3]/dt        ) * ddtUrelHist_[nInt_  ][index][i]
+                      - (C[2]+C[3]/dt        ) * ddtUrelHist_[index][i*ddtUrelHistSize_+nInt_-1]
-                      + (     C[3]/dt        ) * ddtUrelHist_[nInt_+1][index][i]
+                      + (     C[3]/dt        ) * ddtUrelHist_[index][i*ddtUrelHistSize_+nInt_  ]
                     ) / (C[0]+C[1]/dt+1/(dt*dt)); // Eq. 3.20 using first order temporal discretisation
         }
     }
@@ -583,39 +513,20 @@ void Foam::ParmarBassetForce::solveFlongODE(int k, double C[4], scalar dt, int i
     {
         for (int i=0; i<3; i++) // loop over dimensions
         {
-            FHist_[k][0][index][i] =
+            Flong[i] = 
                     (
-                        (       4*C[1]/(2*dt) + 24/(4*dt*dt)) * FHist_[k][1][index][i]
+                        (       4*C[1]/(2*dt) + 24/(4*dt*dt)) * FHist_[index][i*FHistSize_*2  +k]
-                      - (         C[1]/(2*dt) + 22/(4*dt*dt)) * FHist_[k][2][index][i]
+                      - (         C[1]/(2*dt) + 22/(4*dt*dt)) * FHist_[index][i*FHistSize_*2+2+k]
-                      + (                        8/(4*dt*dt)) * FHist_[k][3][index][i]
+                      + (                        8/(4*dt*dt)) * FHist_[index][i*FHistSize_*2+4+k]
-                      - (                        1/(4*dt*dt)) * FHist_[k][4][index][i]
+                      - (                        1/(4*dt*dt)) * FHist_[index][i*FHistSize_*2+6+k]
 
-                      - (C[2] + 3*C[3]/(2*dt)               ) * ddtUrelHist_[nInt_  ][index][i]
+                      - (C[2] + 3*C[3]/(2*dt)               ) * ddtUrelHist_[index][i*ddtUrelHistSize_+nInt_-1]
-                      + (       4*C[3]/(2*dt)               ) * ddtUrelHist_[nInt_+1][index][i]
+                      + (       4*C[3]/(2*dt)               ) * ddtUrelHist_[index][i*ddtUrelHistSize_+nInt_  ]
-                      - (         C[3]/(2*dt)               ) * ddtUrelHist_[nInt_+2][index][i]
+                      - (         C[3]/(2*dt)               ) * ddtUrelHist_[index][i*ddtUrelHistSize_+nInt_+1]
                     ) / (C[0] + 3*C[1]/(2*dt) +  9/(4*dt*dt)); // Eq. 3.20 using second order temporal discretisation
         }
     }
-}
+    return Flong;
-
-void Foam::ParmarBassetForce::rescaleHist(scalar tScale, scalar mScale, scalar lScale, scalar rScale, int index) const
-{
-    for (int i=0; i<3; i++) // loop over dimensions
-    {
-        // rescale ddtU history
-        for (int j=0; j<nHist_; j++) // loop over past times
-            if (ddtUrelHist_[j][index][i] != NOTONCPU)
-                ddtUrelHist_[j][index][i] *= lScale/(tScale*tScale);
-
-        // rescale F1, F2 history
-        for (int k=0; k<2; k++) // loop over F1, F2
-            for (int j=0; j<FHistSize_; j++) // loop over past times
-                FHist_[k][j][index][i] *= mScale*lScale/(tScale*tScale);
-    }
-    // rescale r history
-    for (int j=0; j<nHist_; j++) // loop over past times
-        if (rHist_[j][index][0] != NOTONCPU)
-            rHist_[j][index][0] /= pow(rScale,1.5);
 }
 
 } // End namespace Foam

src/lagrangian/cfdemParticle/subModels/forceModel/ParmarBassetForce/ParmarBassetForce.H

@@ -59,35 +59,37 @@ class ParmarBassetForce
 private:
     dictionary propsDict_;
 
-    word velFieldName_;
+    const word velFieldName_;
 
     const volVectorField& U_;
 
-    word UsFieldName_;
+    const word UsFieldName_;
 
     const volVectorField& Us_;
 
-    label nInt_;                            //no of timesteps to solve full integral
+    const int nInt_;                            //no of timesteps to solve full integral
 
-    label discOrder_;                       //ODE discretisation order
+    const int discOrder_;                       //ODE discretisation order
 
-    label nHist_;                           //no of timesteps to save ddtUrel history for
+    const int ddtUrelHistSize_;                 //no of timesteps to save ddtUrel history for
 
-    label FHistSize_;
+    const int rHistSize_;                       //no of timesteps to save r history for
 
-    mutable List<double**> ddtUrelHist_;
+    const int FHistSize_;                       //no of timesteps to save Flong history for
 
-    mutable List<double**> rHist_;
+    const word ddtUrelHistRegName_;
 
-    mutable List<List<double**>> FHist_;
+    const word rHistRegName_;
 
-    mutable double** gH0_;
+    const word FHistRegName_;
 
-    mutable double** tRef_;
+    const word gH0RegName_;
 
-    mutable double** mRef_;
+    const word tRefRegName_;
 
-    mutable double** lRef_;
+    const word mRefRegName_;
+
+    const word lRefRegName_;
 
     mutable volVectorField Urel_;
 
@@ -101,17 +103,15 @@ private:
 
     scalar trapWeight(int i, int n) const;
 
-    void update_ddtUrelHist(const vector& ddtUrel, int index) const;
+    void update_ddtUrelHist(double**& ddtUrelHist_, const vector& ddtUrel, int index) const;
 
-    void update_rHist(scalar r, int index) const;
+    void update_rHist(double**& rHist_, scalar r, int index) const;
 
-    void update_FHist(const vector& F1, const vector& F2, int index) const;
+    void update_FHist(double**& FHist_, const vector& F1, const vector& F2, int index) const;
 
     void calculateCoeffs(int k, scalar t0, scalar r, double c[2][4][3], double chi[2][4][2], double C[4]) const;
 
-    void solveFlongODE(int k, double C[4], scalar dt, int index) const;
+    vector solveFlongODE(double**& FHist_, double**& ddtUrelHist_, int k, double C[4], scalar dt, int index) const;
-
-    void rescaleHist(scalar tScale, scalar mScale, scalar lScale, scalar rScale, int index) const;
 
 public:
 
@@ -136,9 +136,6 @@ public:
     // Member Functions
         void setForce() const;
 
-
-        void reAllocArrays() const;
-
         inline const smoothingModel& smoothingM() const
         {
             return smoothingModel_;

src/lagrangian/cfdemParticle/subModels/forceModel/gradPForceSmooth/gradPForceSmooth.C

@@ -61,6 +61,7 @@ gradPForceSmooth::gradPForceSmooth
     U_(sm.mesh().lookupObject<volVectorField> (velocityFieldName_)),
     useRho_(false),
     useU_(false),
+    temporalSmoothing_(false),
     addedMassCoeff_(0.0),
     smoothingModel_
     (
@@ -96,7 +97,7 @@ gradPForceSmooth::gradPForceSmooth
 
     if (modelType_ == "B")
     {
-        FatalError <<"using  model gradPForceSmooth with model type B is not valid\n" << abort(FatalError);
+        FatalError <<"using model gradPForceSmooth with model type B is not valid\n" << abort(FatalError);
     }
     else if (modelType_ == "Bfull")
     {
@@ -135,6 +136,11 @@ gradPForceSmooth::gradPForceSmooth
     particleCloud_.probeM().scalarFields_.append("Vs");
     particleCloud_.probeM().scalarFields_.append("rho");
     particleCloud_.probeM().writeHeader();
+
+    if ((smoothingM().type() == "temporalSmoothing") || (smoothingM().type() == "constDiffAndTemporalSmoothing"))
+    {
+        temporalSmoothing_ = true;
+    }
 }
 
 
@@ -150,6 +156,11 @@ gradPForceSmooth::~gradPForceSmooth()
 void gradPForceSmooth::setForce() const
 {
     volVectorField gradPField = fvc::grad(p_);
+
+    // if temporal smoothing is used, let pSmooth evolve on its own - smoothing model itself looks up p
+    // else, set pSmooth to current p and apply spatial smoothing
+    if (!temporalSmoothing_) pSmooth_ = p_;
+
     if (pFieldName_ == "p_rgh")
     {
         const volScalarField& rho_ = particleCloud_.mesh().lookupObject<volScalarField>("rho");

src/lagrangian/cfdemParticle/subModels/forceModel/gradPForceSmooth/gradPForceSmooth.H

@@ -62,6 +62,8 @@ private:
 
     bool useU_;          // if false: substitution p=0.5*rho*U^2
 
+    bool temporalSmoothing_;
+
     mutable double addedMassCoeff_; //added mass coefficient
 
     autoPtr<smoothingModel> smoothingModel_;

src/lagrangian/cfdemParticle/subModels/forceModel/transferFluidProperties/transferFluidProperties.C

@@ -0,0 +1,129 @@
+/*---------------------------------------------------------------------------*\
+License
+    This is free software: you can redistribute it and/or modify it
+    under the terms of the GNU General Public License as published by
+    the Free Software Foundation, either version 3 of the License, or
+    (at your option) any later version.
+    This code is distributed in the hope that it will be useful, but WITHOUT
+    ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+    FITNESS FOR A PARTICULAR PURPOSE.  See the GNU General Public License
+    for more details.
+    You should have received a copy of the GNU General Public License
+    along with this code.  If not, see <http://www.gnu.org/licenses/>.
+
+    Copyright (C) 2015- Thomas Lichtenegger, JKU Linz, Austria
+
+Description
+    transfer fluid properties to LIGGGHTS
+
+SourceFiles
+    transferFluidProperties.C
+\*---------------------------------------------------------------------------*/
+
+#include "error.H"
+
+#include "transferFluidProperties.H"
+#include "addToRunTimeSelectionTable.H"
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+namespace Foam
+{
+
+// * * * * * * * * * * * * * * Static Data Members * * * * * * * * * * * * * //
+
+defineTypeNameAndDebug(transferFluidProperties, 0);
+
+addToRunTimeSelectionTable
+(
+    forceModel,
+    transferFluidProperties,
+    dictionary
+);
+
+
+// * * * * * * * * * * * * * * * * Constructors  * * * * * * * * * * * * * * //
+
+// Construct from components
+transferFluidProperties::transferFluidProperties
+(
+    const dictionary& dict,
+    cfdemCloud& sm
+)
+:
+    forceModel(dict,sm),
+    propsDict_(dict.subDict(typeName + "Props"))
+{
+    particleCloud_.registerParticleProperty<double**>("fluidDensity",1);
+    particleCloud_.registerParticleProperty<double**>("fluidViscosity",1);
+
+    // init force sub model
+    setForceSubModels(propsDict_);
+    // define switches which can be read from dict
+    forceSubM(0).setSwitchesList(SW_VERBOSE,true); // activate search for verbose switch
+    forceSubM(0).setSwitchesList(SW_INTERPOLATION,true); // activate search for interpolate switch
+    forceSubM(0).readSwitches();
+}
+
+
+// * * * * * * * * * * * * * * * * Destructor  * * * * * * * * * * * * * * * //
+
+transferFluidProperties::~transferFluidProperties()
+{
+}
+
+// * * * * * * * * * * * * * * * private Member Functions  * * * * * * * * * * * * * //
+
+
+// * * * * * * * * * * * * * * * public Member Functions  * * * * * * * * * * * * * //
+
+void transferFluidProperties::setForce() const
+{
+    double**& fluidDensity_   = particleCloud_.getParticlePropertyRef<double**>("fluidDensity");
+    double**& fluidViscosity_ = particleCloud_.getParticlePropertyRef<double**>("fluidViscosity");
+
+    const volScalarField& rhoField = forceSubM(0).rhoField();
+    const volScalarField& nufField = forceSubM(0).nuField();
+
+    interpolationCellPoint<scalar> rhoInterpolator_(rhoField);
+    interpolationCellPoint<scalar> nufInterpolator_(nufField);
+
+    label cellI = 0;
+    double rho = 0.;
+    double nuf = 0.;
+    vector position(0,0,0);
+
+    for(int index = 0; index < particleCloud_.numberOfParticles(); ++index)
+    {
+        cellI = particleCloud_.cellIDs()[index][0];
+        if (cellI >= 0)
+        {
+            if(forceSubM(0).interpolation())
+            {
+                position = particleCloud_.position(index);
+                rho = rhoInterpolator_.interpolate(position,cellI);
+                nuf = nufInterpolator_.interpolate(position,cellI);
+            }
+            else
+            {
+                rho = rhoField[cellI];
+                nuf = nufField[cellI];
+            }
+
+            fluidDensity_[index][0]   = rho;
+            fluidViscosity_[index][0] = nuf*rho;
+        }
+    }
+
+    particleCloud_.dataExchangeM().giveData("fluidDensity","scalar-atom",fluidDensity_);
+    particleCloud_.dataExchangeM().giveData("fluidViscosity","scalar-atom",fluidViscosity_);
+    
+    if (forceSubM(0).verbose()) Info << "give data done" << endl;
+}
+
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+} // End namespace Foam
+
+// ************************************************************************* //

src/lagrangian/cfdemParticle/subModels/forceModel/transferFluidProperties/transferFluidProperties.H

@@ -0,0 +1,79 @@
+/*---------------------------------------------------------------------------*\
+License
+    This is free software: you can redistribute it and/or modify it
+    under the terms of the GNU General Public License as published by
+    the Free Software Foundation, either version 3 of the License, or
+    (at your option) any later version.
+    This code is distributed in the hope that it will be useful, but WITHOUT
+    ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+    FITNESS FOR A PARTICULAR PURPOSE.  See the GNU General Public License
+    for more details.
+    You should have received a copy of the GNU General Public License
+    along with this code.  If not, see <http://www.gnu.org/licenses/>.
+
+    Copyright (C) 2015- Thomas Lichtenegger, JKU Linz, Austria
+
+Description
+    transfer fluid properties to LIGGGHTS
+
+SourceFiles
+    transferFluidProperties.C
+\*---------------------------------------------------------------------------*/
+
+#ifndef transferFluidProperties_H
+#define transferFluidProperties_H
+
+#include "forceModel.H"
+#include "interpolationCellPoint.H"
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+namespace Foam
+{
+
+/*---------------------------------------------------------------------------*\
+                    Class transferFluidProperties Declaration
+\*---------------------------------------------------------------------------*/
+
+class transferFluidProperties
+:
+    public forceModel
+{
+private:
+
+    dictionary propsDict_;
+
+public:
+
+    //- Runtime type information
+    TypeName("transferFluidProperties");
+
+    // Constructors
+
+        //- Construct from components
+        transferFluidProperties
+        (
+            const dictionary& dict,
+            cfdemCloud& sm
+        );
+
+    // Destructor
+
+        ~transferFluidProperties();
+
+
+    // Member Functions
+        void setForce() const;
+
+};
+
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+} // End namespace Foam
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+#endif
+
+// ************************************************************************* //

src/lagrangian/cfdemParticle/subModels/forceModel/virtualMassForce/virtualMassForce.C

@@ -99,7 +99,12 @@ virtualMassForce::virtualMassForce
         )
     )
 {
-    particleCloud_.registerParticleProperty<double**>(UrelOldRegName_,3,NOTONCPU,false);
+    // allocate UrelOld only if needed
+    int UrelOldSize = 0;
+    if(!splitUrelCalculation_ || !useUs_ )
+        UrelOldSize = 3;
+
+    particleCloud_.registerParticleProperty<double**>(UrelOldRegName_,UrelOldSize,NOTONCPU,false);
 
     // init force sub model
     setForceSubModels(propsDict_);

src/lagrangian/cfdemParticle/subModels/massTransferModel/massTransferModel/massTransferModel.H

@@ -105,8 +105,6 @@ public:
 
         virtual void postFlow() {}
 
-        virtual void solve() {}
-
         const volScalarField& D0Field() const;
 
         const volScalarField& CsField() const;

src/lagrangian/cfdemParticle/subModels/probeModel/particleProbe/particleProbe.C

@@ -219,7 +219,7 @@ void particleProbe::writeProbe(int index, Field<scalar> sValues, Field<vector> v
         *sPtr << setprecision(writePrecision_);
         forAll(vValues, iter)
         {
-            // if(!probeDebug_ && iter>0) break;
+            if(!probeDebug_ && iter>0) break;
             *sPtr << vValues[iter][0] << "   ";
             *sPtr << vValues[iter][1] << "   ";
             *sPtr << vValues[iter][2] << "   ";

src/lagrangian/cfdemParticle/subModels/smoothingModel/constDiffAndTemporalSmoothing/constDiffAndTemporalSmoothing.C

@@ -68,6 +68,7 @@ constDiffAndTemporalSmoothing::constDiffAndTemporalSmoothing
     smoothingLength_(dimensionedScalar("smoothingLength",dimensionSet(0,1,0,0,0,0,0), readScalar(propsDict_.lookup("smoothingLength")))),
     smoothingLengthReferenceField_(dimensionedScalar("smoothingLengthReferenceField",dimensionSet(0,1,0,0,0,0,0), readScalar(propsDict_.lookup("smoothingLength")))),
     DT_("DT", dimensionSet(0,2,-1,0,0), 0.),
+    refFieldName_(propsDict_.lookupOrDefault<word>("refField","")),
     gamma_(readScalar(propsDict_.lookup("smoothingStrength"))),
     correctBoundary_(propsDict_.lookupOrDefault<bool>("correctBoundary",false)),
     verbose_(false)
@@ -111,12 +112,43 @@ void constDiffAndTemporalSmoothing::smoothen(volScalarField& fieldSrc) const
     double deltaT = sSmoothField.mesh().time().deltaTValue();
     DT_.value() = smoothingLength_.value() * smoothingLength_.value() / deltaT;
 
-    // do smoothing
+    if(refFieldName_.empty())
-    solve
+    {
-    (
+        // do spatial smoothing
-        fvm::ddt(sSmoothField)
+        solve
-       -fvm::laplacian(DT_, sSmoothField)
+        (
-    );
+            fvm::ddt(sSmoothField)
+           -fvm::laplacian(DT_, sSmoothField)
+        );
+
+        // create fields for temporal smoothing
+        volScalarField refField = sSmoothField;
+
+        sSmoothField.ref()=fieldSrc.oldTime().internalField();
+        sSmoothField.correctBoundaryConditions();
+        sSmoothField.oldTime()=fieldSrc.oldTime();
+        sSmoothField.oldTime().correctBoundaryConditions();
+
+        // do temporal smoothing
+        solve
+        (
+            fvm::ddt(sSmoothField)
+            -
+            gamma_/deltaT * (refField - fvm::Sp(1.0,sSmoothField))
+        );
+    }
+    else
+    {
+        const volScalarField& refField = particleCloud_.mesh().lookupObject<volScalarField>(refFieldName_);
+
+        // do spatial and temporal smoothing
+        solve
+        (
+            fvm::ddt(sSmoothField)
+           -fvm::laplacian(DT_, sSmoothField)
+           -gamma_/deltaT * (refField - fvm::Sp(1.0,sSmoothField))
+        );
+    }
 
     // bound sSmoothField_
     forAll(sSmoothField,cellI)
@@ -152,28 +184,43 @@ void constDiffAndTemporalSmoothing::smoothen(volVectorField& fieldSrc) const
     dimensionedScalar deltaT = vSmoothField.mesh().time().deltaT();
     DT_.value() = smoothingLength_.value() * smoothingLength_.value() / deltaT.value();
 
-    // do spacial smoothing
+    if(refFieldName_.empty())
-    solve
+    {
-    (
+        // do spatial smoothing
-        fvm::ddt(vSmoothField)
+        solve
-       -fvm::laplacian(DT_, vSmoothField)
+        (
-    );
+            fvm::ddt(vSmoothField)
+           -fvm::laplacian(DT_, vSmoothField)
+        );
 
-    // create fields for temporal smoothing
+        // create fields for temporal smoothing
-    volVectorField refField = vSmoothField;
+        volVectorField refField = vSmoothField;
 
-    vSmoothField.ref()=fieldSrc.oldTime().internalField();
+        vSmoothField.ref()=fieldSrc.oldTime().internalField();
-    vSmoothField.correctBoundaryConditions();
+        vSmoothField.correctBoundaryConditions();
-    vSmoothField.oldTime()=fieldSrc.oldTime();
+        vSmoothField.oldTime()=fieldSrc.oldTime();
-    vSmoothField.oldTime().correctBoundaryConditions();
+        vSmoothField.oldTime().correctBoundaryConditions();
 
-    // do temporal smoothing
+        // do temporal smoothing
-    solve
+        solve
-    (
+        (
-        fvm::ddt(vSmoothField)
+            fvm::ddt(vSmoothField)
-        -
+            -
-        gamma_/deltaT * (refField - fvm::Sp(1.0,vSmoothField))
+            gamma_/deltaT * (refField - fvm::Sp(1.0,vSmoothField))
-    );
+        );
+    }
+    else
+    {
+        const volVectorField& refField = particleCloud_.mesh().lookupObject<volVectorField>(refFieldName_);
+
+        // do spatial and temporal smoothing
+        solve
+        (
+            fvm::ddt(vSmoothField)
+           -fvm::laplacian(DT_, vSmoothField)
+           -gamma_/deltaT * (refField - fvm::Sp(1.0,vSmoothField))
+        );
+    }
 
     // create temporally smoothened boundary field
     if (correctBoundary_)

src/lagrangian/cfdemParticle/subModels/smoothingModel/constDiffAndTemporalSmoothing/constDiffAndTemporalSmoothing.H

@@ -6,7 +6,7 @@
                                 Christoph Goniva, christoph.goniva@cfdem.com
                                 Copyright 2009-2012 JKU Linz
                                 Copyright 2012-     DCS Computing GmbH, Linz
-                                Copyright (C) 2013-     Graz University of  
+                                Copyright (C) 2013-     Graz University of
                                                         Technology, IPPT
 -------------------------------------------------------------------------------
 License
@@ -65,6 +65,7 @@ private:
     dimensionedScalar smoothingLength_;
     dimensionedScalar smoothingLengthReferenceField_;
     mutable dimensionedScalar DT_;
+    word refFieldName_;
     scalar gamma_;
     bool correctBoundary_;
     bool verbose_;
@@ -93,7 +94,7 @@ public:
         bool doSmoothing() const;
 
         //void dSmoothing(volScalarField&) const;
-        
+
         void smoothen(volScalarField&) const;
 
         void smoothen(volVectorField&) const;

src/lagrangian/cfdemParticle/subModels/smoothingModel/temporalSmoothing/temporalSmoothing.C

@@ -130,7 +130,7 @@ void Foam::temporalSmoothing::smoothen(volVectorField& fieldSrc) const
     vSmoothField.oldTime()=fieldSrc;
     vSmoothField.oldTime().correctBoundaryConditions();
 
-    volVectorField refField = particleCloud_.mesh().lookupObject<volVectorField>(refFieldName_);
+    const volVectorField& refField = particleCloud_.mesh().lookupObject<volVectorField>(refFieldName_);
 
     dimensionedScalar deltaT = vSmoothField.mesh().time().deltaT();
     solve

src/lagrangian/cfdemParticleComp/Make/files

@@ -90,6 +90,7 @@ $(forceModels)/directedDiffusiveRelaxation/directedDiffusiveRelaxation.C
 $(forceModels)/BeetstraDrag/BeetstraDrag.C
 $(forceModels)/BeetstraDragPoly/BeetstraDragPoly.C
 $(forceModels)/dSauter/dSauter.C
+$(forceModels)/transferFluidProperties/transferFluidProperties.C
 $(forceModels)/Fines/Fines.C
 $(forceModels)/Fines/FinesFields.C
 $(forceModels)/Fines/FanningDynFines.C

src/recurrence/recModel/standardRecModel/standardRecModel.C

@@ -159,7 +159,24 @@ standardRecModel::standardRecModel
 // * * * * * * * * * * * * * * * * Destructor  * * * * * * * * * * * * * * * //
 
 standardRecModel::~standardRecModel()
-{}
+{
+    const objectRegistry& objReg = base_.mesh().thisDb();
+
+    for(int j=0; j<volScalarFieldNames_.size(); j++)
+    {
+        objReg.checkOut(volScalarFieldList_[j][virtualTimeIndex]);
+    }
+
+    for(int j=0; j<volVectorFieldNames_.size(); j++)
+    {
+        objReg.checkOut(volVectorFieldList_[j][virtualTimeIndex]);
+    }
+
+    for(int j=0; j<surfaceScalarFieldNames_.size(); j++)
+    {
+        objReg.checkOut(surfaceScalarFieldList_[j][virtualTimeIndex]);
+    }
+}
 
 
 // * * * * * * * * * * * * * * * Member Functions  * * * * * * * * * * * * * //

tutorials/cfdemSolverIB/falling_sphere_two_way_coupling/CFD/octave/plot_data.m

@@ -1,33 +1,39 @@
 clear all;
 clc;
 
-%% Script to plot the angular velocities and the particle positions
+% plot the angular velocity and the particle position
 
-A = importdata('../../DEM/post/angular_velocity_no_coupling.txt',' ',1);
+A = importdata('../../DEM/post/angular_velocity.txt',' ',1);
-B = importdata('../../DEM/post/position_no_coupling.txt',' ',1);
+B = importdata('../../DEM/post/position.txt',' ',1);
-C = importdata('../../DEM/post/angular_velocity.txt',' ',1);
-D = importdata('../../DEM/post/position.txt',' ',1);
 
-pos1 = B.data();
+omega = A.data();
-omega1 = A.data();
+pos = B.data();
-pos2 = D.data();
-omega2 = C.data();
 
-time = omega1(:,1);
+time1 = omega(:,1);
-omegax1 = omega1(:,2);
+omegax = omega(:,2);
-omegay1 = omega1(:,3);
+omegay = omega(:,3);
-omegaz1 = omega1(:,4);
+omegaz = omega(:,4);
 
-time2 = omega2(:,1);
+time2 = pos(:,1);
-omegax2 = omega2(:,2);
+posx = pos(:,2);
-omegay2 = omega2(:,3);
+posy = pos(:,3);
-omegaz2 = omega2(:,4);
+posz = pos(:,4);
 
-figure
+figure(1)
-plot(time,omegaz1,'-.-',time2,omegaz2,'Linewidth',1.5)
+plot(time1,omegaz,'-.-','Linewidth',1.5)
 xlabel('Time (s)')
 ylabel('Angular velocity (1/s)')
-legend('One-way coupling','Two-way coupling')
+legend('Two-way torque coupling')
 axis([0 0.5 0 11])
 set(gca,'FontSize',12)
-print('angular_velocity_compare.eps')
+print('angular_velocity.eps')
+
+figure(2)
+plot(time2,posy,'-.-','Linewidth',1.5)
+xlabel('Time (s)')
+ylabel('Y-position (m)')
+legend('Two-way torque coupling')
+axis([0 0.5 0 0.1])
+set(gca,'FontSize',12)
+print('position.eps')
+

tutorials/cfdemSolverIB/falling_sphere_two_way_coupling/run.config

@@ -0,0 +1,21 @@
+{
+  "type" : "CFDEMcoupling",
+  "runs" : [
+    {
+      "name" : "cfdemrun",
+      "solver" : "cfdemSolverIB",
+      "type" : "CFDEMcoupling/mpi",
+      "nprocs" : 4,
+      "data" : {
+          "series" : [
+            {"name" : "angular_velocity", "file" : "angular_velocity.txt", "columns" : ["t", "omegax", "omegay", "omegaz"]},
+            {"name" : "position", "file" : "position.txt", "columns" : ["t", "x", "y", "z"]}
+          ],
+          "plots" : [
+            {"name" : "z-omega", "title" : "Particle z-Angular Velocity", "xdata" : "angular_velocity.t", "ydata" : ["angular_velocity.omegaz"], "xlabel" : "time [s]", "ylabel" : "angular velocity [1/s]"},
+            {"name" : "y-position", "title" : "Particle y-Position", "xdata" : "position.t", "ydata" : ["position.y"], "xlabel" : "time [s]", "ylabel" : "position [m]"}
+          ]
+      }
+    }
+  ]
+}

tutorials/cfdemSolverIBContinuousForcing/redBloodCellPoiseuilleFlow/results.py

@@ -45,7 +45,7 @@ plt.xlabel('Time (s)')
 plt.ylabel('Min. eigen value of G')
 plt.minorticks_on()
 plt.grid()
-plt.savefig('RBC_Posieuille_Gyration.eps')
+plt.savefig('RBC_Poiseuille_Gyration.eps')
 plt.show()
 
 

tutorials/cfdemSolverIBContinuousForcing/redBloodCellPoiseuilleFlow/run.config

@@ -0,0 +1,27 @@
+{
+  "type" : "CFDEMcoupling",
+  "runs" : [
+    {
+      "name" : "liggghts-init",
+      "input_script" : "DEM/in.liggghts_init",
+      "type" : "liggghts/serial"
+    },
+    {
+      "name" : "cfdemrun",
+      "depends_on" : "liggghts-init",
+      "solver" : "cfdemSolverIBContinuousForcing",
+      "type" : "CFDEMcoupling/mpi",
+      "nprocs" : 2,
+      "data" : {
+          "series" : [
+            {"name" : "position", "file" : "particle_position.txt", "columns" : ["t", "x1", "y1", "z1", "x2", "y2", "z2", "x3", "y3", "z3", "x4", "y4", "z4", "x5", "y5", "z5", "x6", "y6", "z6", "x7", "y7", "z7", "x8", "y8", "z8", "x9", "y9", "z9", "x10", "y10", "z10"]}
+          ],
+          "plots" : [
+            {"name" : "x-position", "title" : "Particle x-Position", "xdata" : "position.t", "ydata" : ["position.x1","position.x2","position.x3","position.x4","position.x5","position.x6","position.x7","position.x8","position.x9","position.x10"], "xlabel" : "time [1e-6 s]", "ylabel" : "position [1e-6 m]"},
+            {"name" : "y-position", "title" : "Particle y-Position", "xdata" : "position.t", "ydata" : ["position.y1","position.y2","position.y3","position.y4","position.y5","position.y6","position.y7","position.y8","position.y9","position.y10"], "xlabel" : "time [1e-6 s]", "ylabel" : "position [1e-6 m]"},
+            {"name" : "z-position", "title" : "Particle z-Position", "xdata" : "position.t", "ydata" : ["position.z1","position.z2","position.z3","position.z4","position.z5","position.z6","position.z7","position.z8","position.z9","position.z10"], "xlabel" : "time [1e-6 s]", "ylabel" : "position [1e-6 m]"}
+          ]
+      }
+    }
+  ]
+}

tutorials/cfdemSolverIBContinuousForcing/redBloodCellShearFlow/run.config

@@ -0,0 +1,27 @@
+{
+  "type" : "CFDEMcoupling",
+  "runs" : [
+    {
+      "name" : "liggghts-init",
+      "input_script" : "DEM/in.liggghts_init",
+      "type" : "liggghts/serial"
+    },
+    {
+      "name" : "cfdemrun",
+      "depends_on" : "liggghts-init",
+      "solver" : "cfdemSolverIBContinuousForcing",
+      "type" : "CFDEMcoupling/mpi",
+      "nprocs" : 2,
+      "data" : {
+          "series" : [
+            {"name" : "position", "file" : "particle_position.txt", "columns" : ["t", "x1", "y1", "z1", "x2", "y2", "z2", "x3", "y3", "z3", "x4", "y4", "z4", "x5", "y5", "z5", "x6", "y6", "z6", "x7", "y7", "z7", "x8", "y8", "z8", "x9", "y9", "z9", "x10", "y10", "z10"]}
+          ],
+          "plots" : [
+            {"name" : "x-position", "title" : "Particle x-Position", "xdata" : "position.t", "ydata" : ["position.x1","position.x2","position.x3","position.x4","position.x5","position.x6","position.x7","position.x8","position.x9","position.x10"], "xlabel" : "time [1e-6 s]", "ylabel" : "position [1e-6 m]"},
+            {"name" : "y-position", "title" : "Particle y-Position", "xdata" : "position.t", "ydata" : ["position.y1","position.y2","position.y3","position.y4","position.y5","position.y6","position.y7","position.y8","position.y9","position.y10"], "xlabel" : "time [1e-6 s]", "ylabel" : "position [1e-6 m]"},
+            {"name" : "z-position", "title" : "Particle z-Position", "xdata" : "position.t", "ydata" : ["position.z1","position.z2","position.z3","position.z4","position.z5","position.z6","position.z7","position.z8","position.z9","position.z10"], "xlabel" : "time [1e-6 s]", "ylabel" : "position [1e-6 m]"}
+          ]
+      }
+    }
+  ]
+}

tutorials/cfdemSolverRhoPimple/FinesColumn/CFD/constant/couplingProperties

@@ -173,6 +173,9 @@ FinesFieldsProps
     poresizeWidth 0.2;
     verbose true;
     diffCoeff 0.005;
+    tauRelease 0.1;
+    depositionLength 0.1;
+    kineticClogging true;
 }
 
 gravityProps

tutorials/cfdemSolverRhoPimple/FinesColumn/CFD/system/controlDict

@@ -23,13 +23,13 @@ startTime       0;
 
 stopAt          endTime;
 
-endTime         40;
+endTime         10;
 
 deltaT          0.0005;
 
 writeControl    timeStep;
 
-writeInterval   8000;
+writeInterval   1000;
 
 purgeWrite      0;
 

tutorials/cfdemSolverRhoPimple/FinesColumn/mesh.sh

@@ -2,3 +2,4 @@ cd CFD
 blockMesh
 topoSet -dict system/topoSetDict
 cp -r orig.0/ 0
+decomposePar

tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/DEM/in.liggghts_run

@@ -77,11 +77,11 @@ fix     cfd5 ore chem/shrink/core speciesA CO molMassA 0.02801 speciesC CO2 molM
 fix     cfd6 ore chem/shrink/core speciesA H2 molMassA 0.00202 speciesC H2O molMassC 0.01801 scale_reduction_rate ${rate_scale}
 
 # material properties for chemical reaction
-fix     k0_CO ore property/atom k0_cfd5 vector yes no no 17 25 2700
+fix     k0_CO ore property/global k0_cfd5 vector 17 25 2700
-fix     Ea_CO ore property/atom Ea_cfd5 vector yes no no 69488 95000 130940
+fix     Ea_CO ore property/global Ea_cfd5 vector 69488 95000 130940
 
-fix     k0_H2 ore property/atom k0_cfd6 vector yes no no 30 23 160
+fix     k0_H2 ore property/global k0_cfd6 vector 30 23 160
-fix     Ea_H2 ore property/atom Ea_cfd6 vector yes no no 63627 85000 105908
+fix     Ea_H2 ore property/global Ea_cfd6 vector 63627 85000 105908
 
 # particle parameters
 fix     porosity        ore property/global porosity_ore        vector 0.61 0.34 0.19 0.17

tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/DEM/in.liggghts_run

@@ -62,11 +62,11 @@ fix     cfd5 all chem/shrink/core speciesA CO molMassA 0.02801 speciesC CO2 molM
 fix     cfd6 all chem/shrink/core speciesA H2 molMassA 0.00202 speciesC H2O molMassC 0.01801 scale_reduction_rate 10.0 screen yes
 
 # Chemical properties for unreacted shrink core (activate only when chem/shrink/core is active)
-fix     k0_CO all property/atom k0_cfd5 vector yes no no 17 25 2700
+fix     k0_CO all property/global k0_cfd5 vector 17 25 2700
-fix     Ea_CO all property/atom Ea_cfd5 vector yes no no 69488 73674 113859
+fix     Ea_CO all property/global Ea_cfd5 vector 69488 73674 113859
 
-fix     k0_H2 all property/atom k0_cfd6 vector yes no no 30 23 160
+fix     k0_H2 all property/global k0_cfd6 vector 30 23 160
-fix     Ea_H2 all property/atom Ea_cfd6 vector yes no no 63627 71162 92092
+fix     Ea_H2 all property/global Ea_cfd6 vector 63627 71162 92092
 
 # particle porosity/tortuosity/pore diameter
 fix     porosity        all property/global porosity_all        vector 0.65 0.31 0.16 0.15
@@ -95,20 +95,6 @@ variable ke_tot	equal c_KinEn
 # print total kinetic energy
 fix     printCompute all print ${WI} "${time} ${ke_tot}" file ../DEM/post/printKE.txt title "#time ke_tot"
 
-compute Ea_CO all reduce sum f_Ea_CO[1] f_Ea_CO[2] f_Ea_CO[3]
-fix     Ea    all ave/time 1 1 1 c_Ea_CO[1] c_Ea_CO[2] c_Ea_CO[3]
-variable Ea1    equal f_Ea[1]
-variable Ea2    equal f_Ea[2]
-variable Ea3    equal f_Ea[3]
-
-compute k0CO all reduce sum f_k0_CO[1] f_k0_CO[2] f_k0_CO[3]
-fix     k0   all ave/time 1 1 1 c_k0CO[1] c_k0CO[2] c_k0CO[3]
-variable k01 equal f_k0[1]
-variable k02 equal f_k0[2]
-variable k03 equal f_k0[3]
-
-fix     printk0Ea all print ${WI} "${time} ${Ea1} ${Ea2} ${Ea3} ${k01} ${k02} ${k03}" file ../DEM/post/k0Ea.dat title "#time Ea1 Ea2 Ea3 k01 k02 k03"
-
 ###############
 # Print out values affecting chemical reduction into specified folder for given time
 # Diffusion Coefficient for CO and H2

tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/DEM/in.liggghts_run

@@ -62,11 +62,11 @@ fix     cfd5 all chem/shrink/core speciesA CO molMassA 0.02801 speciesC CO2 molM
 fix     cfd6 all chem/shrink/core speciesA H2 molMassA 0.00202 speciesC H2O molMassC 0.01801 scale_reduction_rate 10.0 screen yes
 
 # Chemical properties for unreacted shrink core (activate only when chem/shrink/core is active)
-fix     k0_CO all property/atom k0_cfd5 vector yes no no 17 25 2700
+fix     k0_CO all property/global k0_cfd5 vector 17 25 2700
-fix     Ea_CO all property/atom Ea_cfd5 vector yes no no 69488 73674 113859
+fix     Ea_CO all property/global Ea_cfd5 vector 69488 73674 113859
 
-fix     k0_H2 all property/atom k0_cfd6 vector yes no no 30 23 160
+fix     k0_H2 all property/global k0_cfd6 vector 30 23 160
-fix     Ea_H2 all property/atom Ea_cfd6 vector yes no no 63627 71162 92092
+fix     Ea_H2 all property/global Ea_cfd6 vector 63627 71162 92092
 
 # particle porosity/tortuosity/pore diameter
 fix     porosity        all property/global porosity_all        vector 0.65 0.31 0.16 0.15
@@ -95,20 +95,6 @@ variable ke_tot	equal c_KinEn
 # print total kinetic energy
 fix     printCompute all print ${WI} "${time} ${ke_tot}" file ../DEM/post/printKE.txt title "#time ke_tot"
 
-compute Ea_CO all reduce sum f_Ea_CO[1] f_Ea_CO[2] f_Ea_CO[3]
-fix     Ea    all ave/time 1 1 1 c_Ea_CO[1] c_Ea_CO[2] c_Ea_CO[3]
-variable Ea1 equal f_Ea[1]
-variable Ea2 equal f_Ea[2]
-variable Ea3 equal f_Ea[3]
-
-compute k0CO all reduce sum f_k0_CO[1] f_k0_CO[2] f_k0_CO[3]
-fix     k0   all ave/time 1 1 1 c_k0CO[1] c_k0CO[2] c_k0CO[3]
-variable k01 equal f_k0[1]
-variable k02 equal f_k0[2]
-variable k03 equal f_k0[3]
-
-fix printk0Ea all print ${WI} "${time} ${Ea1} ${Ea2} ${Ea3} ${k01} ${k02} ${k03}" file ../DEM/post/k0Ea.dat title "#time Ea1 Ea2 Ea3 k01 k02 k03"
-
 ###############
 # Print out values affecting chemical reduction into specified folder for given time
 # Diffusion Coefficient for CO and H2

tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/DEM/in.liggghts_run

@@ -61,8 +61,8 @@ fix     cfd3 all couple/cfd/chemistry n_species 3 species_names CO CO2 N2 n_diff
 fix     cfd5 all chem/shrink/core speciesA CO molMassA 0.02801 speciesC CO2 molMassC 0.04401 scale_reduction_rate 10.0 screen yes
 
 # Chemical properties for unreacted shrink core (activate only when chem/shrink/core is active)
-fix     k0_CO all property/atom k0_cfd5 vector yes no no 17 25 2700
+fix     k0_CO all property/global k0_cfd5 vector 17 25 2700
-fix     Ea_CO all property/atom Ea_cfd5 vector yes no no 69488 73674 113859
+fix     Ea_CO all property/global Ea_cfd5 vector 69488 73674 113859
 
 # particle porosity/tortuosity/pore diameter
 fix     porosity        all property/global porosity_all        vector 0.65 0.31 0.16 0.15
@@ -91,20 +91,6 @@ variable ke_tot	equal c_KinEn
 # print total kinetic energy
 fix printCompute all print ${WI} "${time} ${ke_tot}" file ../DEM/post/printKE.txt title "#time ke_tot"
 
-compute Ea_CO all reduce sum f_Ea_CO[1] f_Ea_CO[2] f_Ea_CO[3]
-fix     Ea    all ave/time 1 1 1 c_Ea_CO[1] c_Ea_CO[2] c_Ea_CO[3]
-variable Ea1 equal f_Ea[1]
-variable Ea2 equal f_Ea[2]
-variable Ea3 equal f_Ea[3]
-
-compute k0CO all reduce sum f_k0_CO[1] f_k0_CO[2] f_k0_CO[3]
-fix     k0   all ave/time 1 1 1 c_k0CO[1] c_k0CO[2] c_k0CO[3]
-variable k01 equal f_k0[1]
-variable k02 equal f_k0[2]
-variable k03 equal f_k0[3]
-
-fix printk0Ea all print ${WI} "${time} ${Ea1} ${Ea2} ${Ea3} ${k01} ${k02} ${k03}" file ../DEM/post/k0Ea.dat title "#time Ea1 Ea2 Ea3 k01 k02 k03"
-
 ###############
 # Print out values affecting chemical reduction into specified folder for given time
 # Diffusion Coefficient for CO and H2

tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/DEM/in.liggghts_run

@@ -61,8 +61,8 @@ fix     cfd3 all couple/cfd/chemistry n_species 3 species_names CO CO2 N2 n_diff
 fix     cfd5 all chem/shrink/core speciesA CO molMassA 0.02801 speciesC CO2 molMassC 0.04401 scale_reduction_rate 10.0 screen yes
 
 # Chemical properties for unreacted shrink core (activate only when chem/shrink/core is active)
-fix     k0_CO all property/atom k0_cfd5 vector yes no no 17 25 2700
+fix     k0_CO all property/global k0_cfd5 vector 17 25 2700
-fix     Ea_CO all property/atom Ea_cfd5 vector yes no no 69488 73674 113859
+fix     Ea_CO all property/global Ea_cfd5 vector 69488 73674 113859
 
 # particle porosity/tortuosity/pore diameter
 fix     porosity        all property/global porosity_all        vector 0.65 0.31 0.16 0.15
@@ -91,20 +91,6 @@ variable ke_tot equal c_KinEn
 # print total kinetic energy
 fix     printCompute all print ${WI} "${time} ${ke_tot}" file ../DEM/post/printKE.txt title "#time ke_tot"
 
-compute Ea_CO all reduce sum f_Ea_CO[1] f_Ea_CO[2] f_Ea_CO[3]
-fix     Ea    all ave/time 1 1 1 c_Ea_CO[1] c_Ea_CO[2] c_Ea_CO[3]
-variable Ea1 equal f_Ea[1]
-variable Ea2 equal f_Ea[2]
-variable Ea3 equal f_Ea[3]
-
-compute k0CO all reduce sum f_k0_CO[1] f_k0_CO[2] f_k0_CO[3]
-fix     k0   all ave/time 1 1 1 c_k0CO[1] c_k0CO[2] c_k0CO[3]
-variable k01 equal f_k0[1]
-variable k02 equal f_k0[2]
-variable k03 equal f_k0[3]
-
-fix printk0Ea all print ${WI} "${time} ${Ea1} ${Ea2} ${Ea3} ${k01} ${k02} ${k03}" file ../DEM/post/k0Ea.dat title "#time Ea1 Ea2 Ea3 k01 k02 k03"
-
 ###############
 # Print out values affecting chemical reduction into specified folder for given time
 # Diffusion Coefficient for CO and H2

tutorials/displacementField/CFD/constant/displacementProperties

@@ -31,6 +31,14 @@ dumpIndexDisplacementIncrement 8000;
 
 dumpIndexInputIncrement 4000;
 
+posIndex 0;
+
+posX 1;
+
+posY 2;
+
+posZ 3;
+
 nNeighMin 3;
 
 timePerDisplacementStep 0.1;

tutorials/rcfdemSolverCoupledHeatTransfer/FluidizedBed_HeatSources/rCFD/CFD/constant/recProperties

@@ -52,7 +52,7 @@ surfaceScalarFields
 
 //verbose true;
 
-couplingSubStep 3;
+couplingSubStep 7;
 
 initialRecSteps 150;
 

tutorials/rcfdemSolverCoupledHeatTransfer/FluidizedBed_HeatSources/rCFD/CFD/constant/thermophysicalProperties

@@ -1,49 +0,0 @@
-/*--------------------------------*- C++ -*----------------------------------*\
-| =========                 |                                                 |
-| \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox           |
-|  \\    /   O peration     | Version:  2.3.0                                 |
-|   \\  /    A nd           | Web:      www.OpenFOAM.org                      |
-|    \\/     M anipulation  |                                                 |
-\*---------------------------------------------------------------------------*/
-FoamFile
-{
-    version     2.0;
-    format      ascii;
-    class       dictionary;
-    location    "constant";
-    object      thermophysicalProperties;
-}
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-
-thermoType
-{
-    type            hePsiThermo;
-    mixture         pureMixture;
-    transport       const;
-    thermo          eConst;
-    equationOfState perfectGas;
-    specie          specie;
-    energy          sensibleInternalEnergy;
-}
-
-mixture
-{
-    specie
-    {
-        nMoles      1;
-        molWeight   42.1;
-    }
-    thermodynamics
-    {
-        Cv          1310;
-        Hf          0;
-    }
-    transport
-    {
-        mu          1e-05;
-        Pr          0.72;
-    }
-}
-
-
-// ************************************************************************* //

tutorials/rcfdemSolverCoupledHeatTransfer/FluidizedBed_HeatSources/rCFD/CFD/constant/transportProperties

@@ -27,4 +27,8 @@ Cv		Cv [ 0 2 -2 -1 0 0 0 ] 1310;
 
 molM		molM [1 0 0 0 -1 0 0 ] 0.0421;
 
+TMax		TMax [0 0 0 1 0 0 0] 400;
+
+TMin		TMin [0 0 0 1 0 0 0] 250;
+
 // ************************************************************************* //

tutorials/rcfdemSolverCoupledHeatTransfer/FluidizedBed_HeatSources/rCFD/CFD/system/controlDict

@@ -51,6 +51,63 @@ libs (
 
 functions
 {
+    Tave
+    {
+        type            volFieldValue;
+        libs            ("libfieldFunctionObjects.so");
+
+        log             true;
+        writeControl    timeStep;
+        writeInterval   10;
+        writeFields     false;
+
+        regionType      all;
+        operation       volAverage;
+
+        weightField     voidfractionRec;
+
+        fields
+        (
+          T
+        );
+    }
+
+    fluxprobe0
+    {
+        type            surfaceFieldValue;
+        libs ("libfieldFunctionObjects.so");
+        writeControl    timeStep;
+        writeInterval   100;
+        log             true;
+        writeFields     false;
+        regionType      faceZone;
+        name            fzcenter;
+        operation       sum;
+
+        fields
+        (
+          phi
+        );
+    }
+  
+    fluxprobe1
+    {
+        type            surfaceFieldValue;
+        libs ("libfieldFunctionObjects.so");
+        writeControl   timeStep;
+        writeInterval  100;
+        log            true;
+        writeFields    false;
+        regionType     faceZone;
+        name           fz0;
+        operation      sum;
+
+        fields
+        (
+          phi
+        );
+    }
+
     fieldAverage1
     {
         type            fieldAverage;
@@ -125,13 +182,12 @@ functions
         );
     }
 
-
     fieldOutput
     {
         type writeObjects;
         functionObjectLibs ( "libutilityFunctionObjects.so" );
         exclusiveWriting     true;
-        objects ("rhoRecMean" "voidfraction" "voidfractionRec" "voidfractionMean" "voidfractionRecMean" "addSourceMean" "phiSMean" "TMean" "T" "particleTemp" "particleTempMean");
+        objects ("rhoRecMean" "voidfraction" "voidfractionRec" "voidfractionMean" "voidfractionRecMean" "addSourceMean" "TMean" "T" "partTemp" "partTempMean");
         writeControl timeStep;
         writeInterval       40000;
     }
@@ -177,10 +233,10 @@ functions
             scalarList newWeights(2);
             newWeights[0] = w0;
             newWeights[1] = 1-w0;
-/*
+
-            scalarList newWeights(1);
+//            scalarList newWeights(1);
-            newWeights[0] = 1.0;
+//            newWeights[0] = 1.0;
-*/
+
             weightDict.set("weights",newWeights); 
         #};
     }

tutorials/rcfdemSolverCoupledHeatTransfer/FluidizedBed_HeatSources/rCFD/CFD/system/fvSchemes

@@ -28,13 +28,6 @@ gradSchemes
 divSchemes
 {
     default         Gauss linear;
-    div(phi,U)      Gauss limitedLinearV 1;
-    div(phi,k)      Gauss limitedLinear 1;
-    div(phi,epsilon) Gauss limitedLinear 1;
-    div(phi,R)      Gauss limitedLinear 1;
-    div(R)          Gauss linear;
-    div(phi,nuTilda) Gauss limitedLinear 1;
-    div((nuEff*dev(T(grad(U))))) Gauss linear;
     div(phi,T)      Gauss limitedLinear 1;
  //   div(phi,T)      Gauss upwind;
 }
@@ -57,7 +50,6 @@ snGradSchemes
 fluxRequired
 {
     default         no;
-    p               ;
     T               ;
 }
 

tutorials/rcfdemSolverCoupledHeatTransfer/FluidizedBed_HeatSources/rCFD/CFD/system/fvSolution

@@ -17,14 +17,6 @@ FoamFile
 
 solvers
 {
-    "(p|rho)"
-    {
-        solver          PCG;
-        preconditioner  DIC;
-        tolerance       1e-6;
-        relTol          0.01;
-    }
-
    "(correctedField)"
     {
         solver          PCG;
@@ -33,26 +25,6 @@ solvers
         relTol          0.05;
     }
 
-    "(p|rho)Final"
-    {
-        $p;
-        relTol          0;
-    }
-
-    "(U|k|e|epsilon|R|nuTilda|c)"
-    {
-        solver          smoothSolver;
-        smoother        GaussSeidel;
-        tolerance       1e-05;
-        relTol          0;
-    }
-
-    "(U|e|k|nuTilda)Final"
-    {
-        $U;
-        relTol          0;
-    }
-
     T
     {
         solver          PBiCG;

tutorials/rcfdemSolverCoupledHeatTransfer/FluidizedBed_HeatSources/rCFD/DEM/in.liggghts_run

@@ -39,7 +39,6 @@ variable rfPW2		equal	0.1
 variable Tpart equal 330
 
 variable dt equal 0.0025
-#0.001
 variable skin equal 0.0005
 ###############################################
 
@@ -112,13 +111,9 @@ variable Tave equal v_sumT1/v_np
 
 fix printheat all print 10 "${time} ${Tave}" file ../DEM/temp_ave.txt title "#time   T_ave"
 
-#fix tdist1 all ave/histo 1000 1 1000 324 380 56 f_Temp[0] mode vector file ../DEM/temp_histo.txt title1 "Particle temperatures [K]"
-#fix tdist2 all ave/histo 1000 1 1000 324 380 448 f_Temp[0] mode vector file ../DEM/temp_histo_fine.txt title1 "Particle temperatures [K]"
-
 fix tdist1 all ave/histo 400 1 400 324 380 56 f_Temp[0] mode vector file ../DEM/temp_histo.txt title1 "Particle temperatures [K]"
 fix tdist2 all ave/histo 400 1 400 324 380 448 f_Temp[0] mode vector file ../DEM/temp_histo_fine.txt title1 "Particle temperatures [K]"
 
-
 fix		integr all nve/sphere
 
 #screen output
@@ -131,3 +126,6 @@ dump		dmp all custom/vtk 10000 ../DEM/post/dump*.liggghts_coupled.vtk id type x
 
 run	1
 set         region total property/atom Temp ${Tpart}
+
+# heat sources are already set in the restart file; if they would not have been - or if restarting in a different way -, set them now
+#set region insReg property/atom heatSource 3.3379e-04 # = V_p x \dot{q}