Merge pull request #80 from ParticulateFlow/release

Release 19.02

.gitignore

@@ -5,7 +5,8 @@
 log_*
 log.*
 *~
+
 **/linux*Gcc*/
+**/.vscode
 
 lnInclude
-

applications/solvers/cfdemSolverMultiphase/Allwclean

@@ -0,0 +1,8 @@
+#!/bin/sh
+cd ${0%/*} || exit 1    # Run from this directory
+set -x
+
+wclean libso multiphaseMixture
+wclean
+
+#------------------------------------------------------------------------------

applications/solvers/cfdemSolverMultiphase/Allwmake

@@ -0,0 +1,12 @@
+#!/bin/sh
+cd ${0%/*} || exit 1    # Run from this directory
+
+# Parse arguments for library compilation
+targetType=libso
+. $WM_PROJECT_DIR/wmake/scripts/AllwmakeParseArguments
+set -x
+
+wmake $targetType multiphaseMixture
+wmake
+
+#------------------------------------------------------------------------------

applications/solvers/cfdemSolverMultiphase/Make/files

@@ -0,0 +1,3 @@
+cfdemSolverMultiphase.C
+
+EXE = $(CFDEM_APP_DIR)/cfdemSolverMultiphase

applications/solvers/cfdemSolverMultiphase/Make/options

@@ -0,0 +1,30 @@
+include $(CFDEM_ADD_LIBS_DIR)/additionalLibs
+
+EXE_INC = \
+    -I$(CFDEM_OFVERSION_DIR) \
+    -ImultiphaseMixture/lnInclude \
+    -I$(LIB_SRC)/transportModels \
+    -I$(LIB_SRC)/transportModels/incompressible/lnInclude \
+    -I$(LIB_SRC)/transportModels/interfaceProperties/lnInclude \
+    -I$(LIB_SRC)/TurbulenceModels/turbulenceModels/lnInclude \
+    -I$(LIB_SRC)/TurbulenceModels/incompressible/lnInclude \
+    -I$(LIB_SRC)/finiteVolume/lnInclude \
+    -I$(LIB_SRC)/meshTools/lnInclude \
+    -I$(LIB_SRC)/sampling/lnInclude \
+    -I$(CFDEM_SRC_DIR)/lagrangian/cfdemParticle/lnInclude \
+    -I$(CFDEM_SRC_DIR)/lagrangian/cfdemParticle/cfdTools \
+
+EXE_LIBS = \
+    -L$(CFDEM_LIB_DIR)\
+    -lcfdemMultiphaseInterFoam \
+    -linterfaceProperties \
+    -lincompressibleTransportModels \
+    -lturbulenceModels \
+    -lincompressibleTurbulenceModels \
+    -lfiniteVolume \
+    -lfvOptions \
+    -lmeshTools \
+    -lsampling \
+    -l$(CFDEM_LIB_NAME) \
+     $(CFDEM_ADD_LIB_PATHS) \
+     $(CFDEM_ADD_LIBS)

applications/solvers/cfdemSolverMultiphase/UEqn.H

@@ -0,0 +1,61 @@
+const surfaceScalarField& rhoPhi(mixture.rhoPhi());
+
+volScalarField muEff = rho*(turbulence->nu() + turbulence->nut());
+
+if (modelType == "A")
+    muEff *= voidfraction;
+
+fvVectorMatrix UEqn
+(
+    fvm::ddt(rhoEps, U) - fvm::Sp(fvc::ddt(rhoEps),U)
+  + fvm::div(rhoPhi, U) - fvm::Sp(fvc::div(rhoPhi),U)
+  //+ particleCloud.divVoidfractionTau(U, voidfraction)
+  - fvm::laplacian(muEff, U) - fvc::div(muEff*dev2(fvc::grad(U)().T()))
+  ==
+    fvOptions(rho, U)
+  - fvm::Sp(Ksl,U)
+);
+
+UEqn.relax();
+
+fvOptions.constrain(UEqn);
+
+if (pimple.momentumPredictor() && (modelType=="B" || modelType=="Bfull"))
+{
+    solve
+    (
+        UEqn
+     ==
+        fvc::reconstruct
+        (
+            (- ghf*fvc::snGrad(rho) - fvc::snGrad(p_rgh)) * mesh.magSf()
+        )
+     +
+        fvc::reconstruct
+        (
+            mixture.surfaceTensionForce() * mesh.magSf()
+        ) * voidfraction
+     + Ksl*Us
+    );
+
+    fvOptions.correct(U);
+}
+else if (pimple.momentumPredictor())
+{
+    solve
+    (
+        UEqn
+     ==
+        fvc::reconstruct
+        (
+            (
+                mixture.surfaceTensionForce()
+              - ghf*fvc::snGrad(rho)
+              - fvc::snGrad(p_rgh)
+            ) * mesh.magSf()
+        ) * voidfraction
+     + Ksl*Us
+    );
+
+    fvOptions.correct(U);
+}

applications/solvers/cfdemSolverMultiphase/additionalChecks.H

@@ -0,0 +1,17 @@
+// Additional solver-specific checks
+
+// Useful if one wants to e.g. initialize floating particles using the Archimedes model
+if (particleCloud.couplingProperties().found("unrestrictedForceModelSelection"))
+{
+    Warning << "Using unrestrictedForceModelSelection, results may be incorrect!" << endl;
+} else
+{
+    #include "checkModelType.H"
+}
+
+word modelType = particleCloud.modelType();
+
+if(!particleCloud.couplingProperties().found("useDDTvoidfraction"))
+{
+    Warning << "Suppressing ddt(voidfraction) is not recommended with this solver as it may generate incorrect results!" << endl;
+}

applications/solvers/cfdemSolverMultiphase/alphaCourantNo.H

@@ -0,0 +1,21 @@
+scalar alphaCoNum = 0.0;
+scalar meanAlphaCoNum = 0.0;
+
+if (mesh.nInternalFaces())
+{
+    scalarField sumPhi
+    (
+        mixture.nearInterface()().primitiveField()
+       *fvc::surfaceSum(mag(phi))().primitiveField()
+    );
+
+    alphaCoNum = 0.5*gMax(sumPhi/mesh.V().field())*runTime.deltaTValue();
+
+    meanAlphaCoNum =
+        0.5*(gSum(sumPhi)/gSum(mesh.V().field()))*runTime.deltaTValue();
+}
+
+Info<< "Interface Courant Number mean: " << meanAlphaCoNum
+    << " max: " << alphaCoNum << endl;
+
+// ************************************************************************* //

applications/solvers/cfdemSolverMultiphase/cfdemSolverMultiphase.C

@@ -0,0 +1,148 @@
+/*---------------------------------------------------------------------------*\
+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) 2018- Mathias Vångö, JKU Linz, Austria
+
+Application
+    cfdemSolverMultiphase
+
+Description
+    CFD-DEM solver for n incompressible fluids which captures the interfaces and
+    includes surface-tension and contact-angle effects for each phase. It is based
+    on the OpenFOAM(R)-4.x solver multiphaseInterFoam but extended to incorporate
+    DEM functionalities from the open-source DEM code LIGGGHTS.
+
+    Turbulence modelling is generic, i.e. laminar, RAS or LES may be selected.
+
+\*---------------------------------------------------------------------------*/
+
+#include "fvCFD.H"
+#include "multiphaseMixture.H"
+#include "turbulentTransportModel.H"
+#include "pimpleControl.H"
+#include "fvOptions.H"
+#include "CorrectPhi.H"
+
+#include "cfdemCloud.H"
+#include "implicitCouple.H"
+#include "clockModel.H"
+#include "smoothingModel.H"
+#include "forceModel.H"
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+int main(int argc, char *argv[])
+{
+    #include "postProcess.H"
+    #include "setRootCase.H"
+    #include "createTime.H"
+    #include "createMesh.H"
+    #include "createControl.H"
+    #include "initContinuityErrs.H"
+    #include "createFields.H"
+    #include "createFvOptions.H"
+    #include "correctPhi.H"
+    #include "CourantNo.H"
+
+    turbulence->validate();
+
+    // create cfdemCloud
+    cfdemCloud particleCloud(mesh);
+
+    #include "additionalChecks.H"
+
+    // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+    Info<< "\nStarting time loop\n" << endl;
+
+    while (runTime.loop())
+    {
+        #include "CourantNo.H"
+        #include "alphaCourantNo.H"
+
+        particleCloud.clockM().start(1,"Global");
+
+        Info<< "Time = " << runTime.timeName() << nl << endl;
+
+        particleCloud.clockM().start(2,"Coupling");
+        bool hasEvolved = particleCloud.evolve(voidfraction,Us,U);
+
+        if(hasEvolved)
+        {
+            particleCloud.smoothingM().smoothen(particleCloud.forceM(0).impParticleForces());
+        }
+
+        Info << "update Ksl.internalField()" << endl;
+        Ksl = particleCloud.momCoupleM(0).impMomSource();
+        Ksl.correctBoundaryConditions();
+
+        //Force Checks
+        vector fTotal(0,0,0);
+        vector fImpTotal = sum(mesh.V()*Ksl.internalField()*(Us.internalField()-U.internalField())).value();
+        reduce(fImpTotal, sumOp<vector>());
+        Info << "TotalForceExp: " << fTotal << endl;
+        Info << "TotalForceImp: " << fImpTotal << endl;
+
+        #include "solverDebugInfo.H"
+        particleCloud.clockM().stop("Coupling");
+
+        particleCloud.clockM().start(26,"Flow");
+
+        if(particleCloud.solveFlow())
+        {
+            mixture.solve();
+            rho = mixture.rho();
+            rhoEps = rho * voidfraction;
+
+             // --- Pressure-velocity PIMPLE corrector loop
+            while (pimple.loop())
+            {
+                #include "UEqn.H"
+
+                // --- Pressure corrector loop
+                while (pimple.correct())
+                {
+                    #include "pEqn.H"
+                }
+
+                if (pimple.turbCorr())
+                {
+                    turbulence->correct();
+                }
+            }
+        }
+        else
+        {
+            Info << "skipping flow solution." << endl;
+        }
+
+        runTime.write();
+
+        Info<< "ExecutionTime = " << runTime.elapsedCpuTime() << " s"
+            << "  ClockTime = " << runTime.elapsedClockTime() << " s"
+            << nl << endl;
+
+        particleCloud.clockM().stop("Flow");
+        particleCloud.clockM().stop("Global");
+    }
+
+    Info<< "End\n" << endl;
+
+    return 0;
+}
+
+
+// ************************************************************************* //

applications/solvers/cfdemSolverMultiphase/correctPhi.H

@@ -0,0 +1,11 @@
+CorrectPhi
+(
+    U,
+    phi,
+    p_rgh,
+    dimensionedScalar("rAUf", dimTime/rho.dimensions(), 1),
+    geometricZeroField(),
+    pimple
+);
+
+#include "continuityErrs.H"

applications/solvers/cfdemSolverMultiphase/createFields.H

@@ -0,0 +1,156 @@
+//===============================
+// particle interaction modelling
+//===============================
+
+Info<< "\nReading momentum exchange field Ksl\n" << endl;
+volScalarField Ksl
+(
+    IOobject
+    (
+        "Ksl",
+        runTime.timeName(),
+        mesh,
+        IOobject::MUST_READ,
+        IOobject::AUTO_WRITE
+        ),
+    mesh
+    //dimensionedScalar("0", dimensionSet(1, -3, -1, 0, 0), 1.0)
+);
+
+Info<< "\nReading voidfraction field voidfraction = (Vgas/Vparticle)\n" << endl;
+volScalarField voidfraction
+(
+    IOobject
+    (
+        "voidfraction",
+        runTime.timeName(),
+        mesh,
+        IOobject::MUST_READ,
+        IOobject::AUTO_WRITE
+        ),
+    mesh
+);
+voidfraction.oldTime();
+
+Info<< "Reading particle velocity field Us\n" << endl;
+volVectorField Us
+(
+    IOobject
+    (
+        "Us",
+        runTime.timeName(),
+        mesh,
+        IOobject::MUST_READ,
+        IOobject::AUTO_WRITE
+        ),
+    mesh
+);
+
+Info<< "Reading field p_rgh\n" << endl;
+volScalarField p_rgh
+(
+    IOobject
+    (
+        "p_rgh",
+        runTime.timeName(),
+        mesh,
+        IOobject::MUST_READ,
+        IOobject::AUTO_WRITE
+    ),
+    mesh
+);
+
+Info<< "Reading field U\n" << endl;
+volVectorField U
+(
+    IOobject
+    (
+        "U",
+        runTime.timeName(),
+        mesh,
+        IOobject::MUST_READ,
+        IOobject::AUTO_WRITE
+    ),
+    mesh
+);
+
+Info<< "Reading/calculating face flux field phi\n" << endl;
+surfaceScalarField phi
+(
+    IOobject
+    (
+        "phi",
+        runTime.timeName(),
+         mesh,
+        IOobject::READ_IF_PRESENT,
+        IOobject::AUTO_WRITE
+    ),
+    linearInterpolate(U*voidfraction) & mesh.Sf()
+);
+
+multiphaseMixture mixture(U, phi, voidfraction);
+
+// Need to store rho for ddt(rho, U)
+volScalarField rho
+(
+    IOobject
+    (
+        "rho",
+        runTime.timeName(),
+        mesh,
+        IOobject::READ_IF_PRESENT,
+        IOobject::AUTO_WRITE
+    ),
+    mixture.rho()
+);
+rho.oldTime();
+
+volScalarField rhoEps ("rhoEps", rho * voidfraction);
+
+// Construct incompressible turbulence model
+autoPtr<incompressible::turbulenceModel> turbulence
+(
+    incompressible::turbulenceModel::New(U, phi, mixture)
+);
+
+
+#include "readGravitationalAcceleration.H"
+#include "readhRef.H"
+#include "gh.H"
+
+
+volScalarField p
+(
+    IOobject
+    (
+        "p",
+        runTime.timeName(),
+        mesh,
+        IOobject::NO_READ,
+        IOobject::AUTO_WRITE
+    ),
+    p_rgh + rho*gh
+);
+
+label pRefCell = 0;
+scalar pRefValue = 0.0;
+setRefCell
+(
+    p,
+    p_rgh,
+    pimple.dict(),
+    pRefCell,
+    pRefValue
+);
+
+if (p_rgh.needReference())
+{
+    p += dimensionedScalar
+    (
+        "p",
+        p.dimensions(),
+        pRefValue - getRefCellValue(p, pRefCell)
+    );
+}
+
+mesh.setFluxRequired(p_rgh.name());

applications/solvers/cfdemSolverMultiphase/multiphaseMixture/Make/files

@@ -0,0 +1,5 @@
+phase/phase.C
+alphaContactAngle/alphaContactAngleFvPatchScalarField.C
+multiphaseMixture.C
+
+LIB = $(CFDEM_LIB_DIR)/libcfdemMultiphaseInterFoam

applications/solvers/cfdemSolverMultiphase/multiphaseMixture/Make/options

@@ -0,0 +1,13 @@
+EXE_INC = \
+    -IalphaContactAngle \
+    -I$(LIB_SRC)/transportModels \
+    -I$(LIB_SRC)/transportModels/incompressible/lnInclude \
+    -I$(LIB_SRC)/transportModels/interfaceProperties/lnInclude \
+    -I$(LIB_SRC)/finiteVolume/lnInclude \
+    -I$(LIB_SRC)/meshTools/lnInclude
+
+LIB_LIBS = \
+    -linterfaceProperties \
+    -lincompressibleTransportModels \
+    -lfiniteVolume \
+    -lmeshTools

applications/solvers/cfdemSolverMultiphase/multiphaseMixture/alphaContactAngle/alphaContactAngleFvPatchScalarField.C

@@ -0,0 +1,146 @@
+/*---------------------------------------------------------------------------*\
+  =========                 |
+  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
+   \\    /   O peration     |
+    \\  /    A nd           | Copyright (C) 2011 OpenFOAM Foundation
+     \\/     M anipulation  |
+-------------------------------------------------------------------------------
+License
+    This file is part of OpenFOAM.
+
+    OpenFOAM 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.
+
+    OpenFOAM 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 OpenFOAM.  If not, see <http://www.gnu.org/licenses/>.
+
+\*---------------------------------------------------------------------------*/
+
+#include "alphaContactAngleFvPatchScalarField.H"
+#include "addToRunTimeSelectionTable.H"
+#include "fvPatchFieldMapper.H"
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+namespace Foam
+{
+
+alphaContactAngleFvPatchScalarField::interfaceThetaProps::interfaceThetaProps
+(
+    Istream& is
+)
+:
+    theta0_(readScalar(is)),
+    uTheta_(readScalar(is)),
+    thetaA_(readScalar(is)),
+    thetaR_(readScalar(is))
+{}
+
+
+Istream& operator>>
+(
+    Istream& is,
+    alphaContactAngleFvPatchScalarField::interfaceThetaProps& tp
+)
+{
+    is >> tp.theta0_ >> tp.uTheta_ >> tp.thetaA_ >> tp.thetaR_;
+    return is;
+}
+
+
+Ostream& operator<<
+(
+    Ostream& os,
+    const alphaContactAngleFvPatchScalarField::interfaceThetaProps& tp
+)
+{
+    os  << tp.theta0_ << token::SPACE
+        << tp.uTheta_ << token::SPACE
+        << tp.thetaA_ << token::SPACE
+        << tp.thetaR_;
+
+    return os;
+}
+
+
+// * * * * * * * * * * * * * * * * Constructors  * * * * * * * * * * * * * * //
+
+alphaContactAngleFvPatchScalarField::alphaContactAngleFvPatchScalarField
+(
+    const fvPatch& p,
+    const DimensionedField<scalar, volMesh>& iF
+)
+:
+    zeroGradientFvPatchScalarField(p, iF)
+{}
+
+
+alphaContactAngleFvPatchScalarField::alphaContactAngleFvPatchScalarField
+(
+    const alphaContactAngleFvPatchScalarField& gcpsf,
+    const fvPatch& p,
+    const DimensionedField<scalar, volMesh>& iF,
+    const fvPatchFieldMapper& mapper
+)
+:
+    zeroGradientFvPatchScalarField(gcpsf, p, iF, mapper),
+    thetaProps_(gcpsf.thetaProps_)
+{}
+
+
+alphaContactAngleFvPatchScalarField::alphaContactAngleFvPatchScalarField
+(
+    const fvPatch& p,
+    const DimensionedField<scalar, volMesh>& iF,
+    const dictionary& dict
+)
+:
+    zeroGradientFvPatchScalarField(p, iF),
+    thetaProps_(dict.lookup("thetaProperties"))
+{
+    evaluate();
+}
+
+
+alphaContactAngleFvPatchScalarField::alphaContactAngleFvPatchScalarField
+(
+    const alphaContactAngleFvPatchScalarField& gcpsf,
+    const DimensionedField<scalar, volMesh>& iF
+)
+:
+    zeroGradientFvPatchScalarField(gcpsf, iF),
+    thetaProps_(gcpsf.thetaProps_)
+{}
+
+
+// * * * * * * * * * * * * * * * Member Functions  * * * * * * * * * * * * * //
+
+void alphaContactAngleFvPatchScalarField::write(Ostream& os) const
+{
+    fvPatchScalarField::write(os);
+    os.writeKeyword("thetaProperties")
+        << thetaProps_ << token::END_STATEMENT << nl;
+    writeEntry("value", os);
+}
+
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+makePatchTypeField
+(
+    fvPatchScalarField,
+    alphaContactAngleFvPatchScalarField
+);
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+} // End namespace Foam
+
+// ************************************************************************* //

applications/solvers/cfdemSolverMultiphase/multiphaseMixture/alphaContactAngle/alphaContactAngleFvPatchScalarField.H

@@ -0,0 +1,215 @@
+/*---------------------------------------------------------------------------*\
+  =========                 |
+  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
+   \\    /   O peration     |
+    \\  /    A nd           | Copyright (C) 2011 OpenFOAM Foundation
+     \\/     M anipulation  |
+-------------------------------------------------------------------------------
+License
+    This file is part of OpenFOAM.
+
+    OpenFOAM 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.
+
+    OpenFOAM 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 OpenFOAM.  If not, see <http://www.gnu.org/licenses/>.
+
+Class
+    Foam::alphaContactAngleFvPatchScalarField
+
+Description
+    Contact-angle boundary condition for multi-phase interface-capturing
+    simulations.  Used in conjuction with multiphaseMixture.
+
+SourceFiles
+    alphaContactAngleFvPatchScalarField.C
+
+\*---------------------------------------------------------------------------*/
+
+#ifndef alphaContactAngleFvPatchScalarField_H
+#define alphaContactAngleFvPatchScalarField_H
+
+#include "zeroGradientFvPatchFields.H"
+#include "multiphaseMixture.H"
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+namespace Foam
+{
+
+/*---------------------------------------------------------------------------*\
+                           Class alphaContactAngleFvPatch Declaration
+\*---------------------------------------------------------------------------*/
+
+class alphaContactAngleFvPatchScalarField
+:
+    public zeroGradientFvPatchScalarField
+{
+public:
+
+    class interfaceThetaProps
+    {
+        //- Equilibrium contact angle
+        scalar theta0_;
+
+        //- Dynamic contact angle velocity scale
+        scalar uTheta_;
+
+        //- Limiting advancing contact angle
+        scalar thetaA_;
+
+        //- Limiting receeding contact angle
+        scalar thetaR_;
+
+
+    public:
+
+        // Constructors
+            interfaceThetaProps()
+            {}
+
+            interfaceThetaProps(Istream&);
+
+
+        // Member functions
+
+            //- Return the equilibrium contact angle theta0
+            scalar theta0(bool matched=true) const
+            {
+                if (matched) return theta0_;
+                else return 180.0 - theta0_;
+            }
+
+            //- Return the dynamic contact angle velocity scale
+            scalar uTheta() const
+            {
+                return uTheta_;
+            }
+
+            //- Return the limiting advancing contact angle
+            scalar thetaA(bool matched=true) const
+            {
+                if (matched) return thetaA_;
+                else return 180.0 - thetaA_;
+            }
+
+            //- Return the limiting receeding contact angle
+            scalar thetaR(bool matched=true) const
+            {
+                if (matched) return thetaR_;
+                else return 180.0 - thetaR_;
+            }
+
+
+        // IO functions
+
+            friend Istream& operator>>(Istream&, interfaceThetaProps&);
+            friend Ostream& operator<<(Ostream&, const interfaceThetaProps&);
+    };
+
+    typedef HashTable
+    <
+        interfaceThetaProps,
+        multiphaseMixture::interfacePair,
+        multiphaseMixture::interfacePair::hash
+    > thetaPropsTable;
+
+
+private:
+
+    // Private data
+
+        thetaPropsTable thetaProps_;
+
+
+public:
+
+    //- Runtime type information
+    TypeName("alphaContactAngle");
+
+
+    // Constructors
+
+        //- Construct from patch and internal field
+        alphaContactAngleFvPatchScalarField
+        (
+            const fvPatch&,
+            const DimensionedField<scalar, volMesh>&
+        );
+
+        //- Construct from patch, internal field and dictionary
+        alphaContactAngleFvPatchScalarField
+        (
+            const fvPatch&,
+            const DimensionedField<scalar, volMesh>&,
+            const dictionary&
+        );
+
+        //- Construct by mapping given alphaContactAngleFvPatchScalarField
+        //  onto a new patch
+        alphaContactAngleFvPatchScalarField
+        (
+            const alphaContactAngleFvPatchScalarField&,
+            const fvPatch&,
+            const DimensionedField<scalar, volMesh>&,
+            const fvPatchFieldMapper&
+        );
+
+        //- Construct and return a clone
+        virtual tmp<fvPatchScalarField> clone() const
+        {
+            return tmp<fvPatchScalarField>
+            (
+                new alphaContactAngleFvPatchScalarField(*this)
+            );
+        }
+
+        //- Construct as copy setting internal field reference
+        alphaContactAngleFvPatchScalarField
+        (
+            const alphaContactAngleFvPatchScalarField&,
+            const DimensionedField<scalar, volMesh>&
+        );
+
+        //- Construct and return a clone setting internal field reference
+        virtual tmp<fvPatchScalarField> clone
+        (
+            const DimensionedField<scalar, volMesh>& iF
+        ) const
+        {
+            return tmp<fvPatchScalarField>
+            (
+                new alphaContactAngleFvPatchScalarField(*this, iF)
+            );
+        }
+
+
+    // Member functions
+
+        //- Return the contact angle properties
+        const thetaPropsTable& thetaProps() const
+        {
+            return thetaProps_;
+        }
+
+        //- Write
+        virtual void write(Ostream&) const;
+};
+
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+} // End namespace Foam
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+#endif
+
+// ************************************************************************* //

applications/solvers/cfdemSolverMultiphase/multiphaseMixture/multiphaseMixture.C

@@ -0,0 +1,772 @@
+/*---------------------------------------------------------------------------*\
+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) 2018- Mathias Vångö, JKU Linz, Austria
+
+\*---------------------------------------------------------------------------*/
+
+#include "multiphaseMixture.H"
+#include "alphaContactAngleFvPatchScalarField.H"
+#include "Time.H"
+#include "subCycle.H"
+#include "MULES.H"
+#include "surfaceInterpolate.H"
+#include "fvcGrad.H"
+#include "fvcSnGrad.H"
+#include "fvcDiv.H"
+#include "fvcFlux.H"
+
+// * * * * * * * * * * * * * * * Static Member Data  * * * * * * * * * * * * //
+
+const Foam::scalar Foam::multiphaseMixture::convertToRad =
+    Foam::constant::mathematical::pi/180.0;
+
+
+// * * * * * * * * * * * * * Private Member Functions  * * * * * * * * * * * //
+
+void Foam::multiphaseMixture::calcAlphas()
+{
+    scalar level = 0.0;
+    alphas_ == 0.0;
+
+    forAllIter(PtrDictionary<phase>, phases_, iter)
+    {
+        alphas_ += level*iter();
+        level += 1.0;
+    }
+}
+
+
+Foam::tmp<Foam::volScalarField>
+Foam::multiphaseMixture::calcNu() const
+{
+    PtrDictionary<phase>::const_iterator iter = phases_.begin();
+
+    tmp<volScalarField> tnu = iter()*iter().nu();
+    volScalarField& nu = tnu.ref();
+
+    for (++iter; iter != phases_.end(); ++iter)
+    {
+        nu += iter()*iter().nu();
+    }
+
+    return tnu;
+}
+
+Foam::tmp<Foam::surfaceScalarField>
+Foam::multiphaseMixture::calcStf() const
+{
+    tmp<surfaceScalarField> tstf
+    (
+        new surfaceScalarField
+        (
+            IOobject
+            (
+                "stf",
+                mesh_.time().timeName(),
+                mesh_
+            ),
+            mesh_,
+            dimensionedScalar
+            (
+                "stf",
+                dimensionSet(1, -2, -2, 0, 0),
+                0.0
+            )
+        )
+    );
+
+    surfaceScalarField& stf = tstf.ref();
+
+    forAllConstIter(PtrDictionary<phase>, phases_, iter1)
+    {
+        const phase& alpha1 = iter1();
+
+        PtrDictionary<phase>::const_iterator iter2 = iter1;
+        ++iter2;
+
+        for (; iter2 != phases_.end(); ++iter2)
+        {
+            const phase& alpha2 = iter2();
+
+            sigmaTable::const_iterator sigma =
+                sigmas_.find(interfacePair(alpha1, alpha2));
+
+            if (sigma == sigmas_.end())
+            {
+                FatalErrorInFunction
+                    << "Cannot find interface " << interfacePair(alpha1, alpha2)
+                    << " in list of sigma values"
+                    << exit(FatalError);
+            }
+
+            stf += dimensionedScalar("sigma", dimSigma_, sigma())
+               *fvc::interpolate(K(alpha1, alpha2))*
+                (
+                    fvc::interpolate(alpha2)*fvc::snGrad(alpha1)
+                  - fvc::interpolate(alpha1)*fvc::snGrad(alpha2)
+                );
+        }
+    }
+
+    return tstf;
+}
+
+// * * * * * * * * * * * * * * * * Constructors  * * * * * * * * * * * * * * //
+
+Foam::multiphaseMixture::multiphaseMixture
+(
+    const volVectorField& U,
+    const surfaceScalarField& phi,
+    const volScalarField& voidfraction
+)
+:
+    IOdictionary
+    (
+        IOobject
+        (
+            "transportProperties",
+            U.time().constant(),
+            U.db(),
+            IOobject::MUST_READ_IF_MODIFIED,
+            IOobject::NO_WRITE
+        )
+    ),
+
+    phases_(lookup("phases"), phase::iNew(U, phi)),
+
+    mesh_(U.mesh()),
+    U_(U),
+    phi_(phi),
+    voidfraction_(voidfraction),
+    rhoPhi_
+    (
+        IOobject
+        (
+            "rhoPhi",
+            mesh_.time().timeName(),
+            mesh_,
+            IOobject::NO_READ,
+            IOobject::NO_WRITE
+        ),
+        mesh_,
+        dimensionedScalar("rhoPhi", dimMass/dimTime, 0.0)
+    ),
+    surfaceTensionForce_
+    (
+        IOobject
+        (
+            "surfaceTensionForce",
+            mesh_.time().timeName(),
+            mesh_,
+            IOobject::NO_READ,
+            IOobject::AUTO_WRITE
+        ),
+        mesh_,
+        dimensionedScalar("surfaceTensionForce", dimensionSet(1, -2, -2, 0, 0), 0.0)
+    ),
+    alphas_
+    (
+        IOobject
+        (
+            "alphas",
+            mesh_.time().timeName(),
+            mesh_,
+            IOobject::NO_READ,
+            IOobject::AUTO_WRITE
+        ),
+        mesh_,
+        dimensionedScalar("alphas", dimless, 0.0)
+    ),
+
+    nu_
+    (
+        IOobject
+        (
+            "nu",
+            mesh_.time().timeName(),
+            mesh_,
+            IOobject::NO_READ,
+            IOobject::AUTO_WRITE
+        ),
+        calcNu()
+    ),
+
+    sigmas_(lookup("sigmas")),
+    dimSigma_(1, 0, -2, 0, 0),
+    deltaN_
+    (
+        "deltaN",
+        1e-8/pow(average(mesh_.V()), 1.0/3.0)
+    )
+{
+    calcAlphas();
+    alphas_.write();
+    surfaceTensionForce_ = calcStf();
+
+}
+
+
+// * * * * * * * * * * * * * * Member Functions  * * * * * * * * * * * * * * //
+
+Foam::tmp<Foam::volScalarField>
+Foam::multiphaseMixture::rho() const
+{
+    PtrDictionary<phase>::const_iterator iter = phases_.begin();
+
+    tmp<volScalarField> trho = iter()*iter().rho();
+    volScalarField& rho = trho.ref();
+
+    for (++iter; iter != phases_.end(); ++iter)
+    {
+        rho += iter()*iter().rho();
+    }
+
+    return trho;
+}
+
+
+Foam::tmp<Foam::scalarField>
+Foam::multiphaseMixture::rho(const label patchi) const
+{
+    PtrDictionary<phase>::const_iterator iter = phases_.begin();
+
+    tmp<scalarField> trho = iter().boundaryField()[patchi]*iter().rho().value();
+    scalarField& rho = trho.ref();
+
+    for (++iter; iter != phases_.end(); ++iter)
+    {
+        rho += iter().boundaryField()[patchi]*iter().rho().value();
+    }
+
+    return trho;
+}
+
+
+Foam::tmp<Foam::volScalarField>
+Foam::multiphaseMixture::mu() const
+{
+    return rho()*nu();
+//    PtrDictionary<phase>::const_iterator iter = phases_.begin();
+
+//    tmp<volScalarField> tmu = iter()*iter().rho()*iter().nu();
+//    volScalarField& mu = tmu.ref();
+
+//    for (++iter; iter != phases_.end(); ++iter)
+//    {
+//        mu += iter()*iter().rho()*iter().nu();
+//    }
+
+//    return tmu;
+}
+
+
+Foam::tmp<Foam::scalarField>
+Foam::multiphaseMixture::mu(const label patchi) const
+{
+    PtrDictionary<phase>::const_iterator iter = phases_.begin();
+
+    tmp<scalarField> tmu =
+        iter().boundaryField()[patchi]
+       *iter().rho().value()
+       *iter().nu(patchi);
+    scalarField& mu = tmu.ref();
+
+    for (++iter; iter != phases_.end(); ++iter)
+    {
+        mu +=
+            iter().boundaryField()[patchi]
+           *iter().rho().value()
+           *iter().nu(patchi);
+    }
+
+    return tmu;
+}
+
+
+Foam::tmp<Foam::surfaceScalarField>
+Foam::multiphaseMixture::muf() const
+{
+
+    return nuf()*fvc::interpolate(rho());
+//    PtrDictionary<phase>::const_iterator iter = phases_.begin();
+
+//    tmp<surfaceScalarField> tmuf =
+//            fvc::interpolate(iter())*iter().rho()*fvc::interpolate(iter().nu());
+//    surfaceScalarField& muf = tmuf.ref();
+
+//    for (++iter; iter != phases_.end(); ++iter)
+//    {
+//        muf +=
+//                fvc::interpolate(iter())*iter().rho()*fvc::interpolate(iter().nu());
+//    }
+
+//    return tmuf;
+}
+
+
+Foam::tmp<Foam::volScalarField>
+Foam::multiphaseMixture::nu() const
+{
+    return nu_;
+}
+
+
+Foam::tmp<Foam::scalarField>
+Foam::multiphaseMixture::nu(const label patchi) const
+{
+    //return nu_.boundaryField()[patchi];
+    PtrDictionary<phase>::const_iterator iter = phases_.begin();
+
+    tmp<scalarField> tnu =
+        iter().boundaryField()[patchi]
+       *iter().nu(patchi);
+    scalarField& nu = tnu.ref();
+
+    for (++iter; iter != phases_.end(); ++iter)
+    {
+        nu +=
+            iter().boundaryField()[patchi]
+           *iter().nu(patchi);
+    }
+
+    return tnu;
+}
+
+
+Foam::tmp<Foam::surfaceScalarField>
+Foam::multiphaseMixture::nuf() const
+{
+    //return muf()/fvc::interpolate(rho());
+    PtrDictionary<phase>::const_iterator iter = phases_.begin();
+
+    tmp<surfaceScalarField> tnuf =
+        fvc::interpolate(iter())*fvc::interpolate(iter().nu());
+    surfaceScalarField& nuf = tnuf.ref();
+
+    for (++iter; iter != phases_.end(); ++iter)
+    {
+        nuf +=
+            fvc::interpolate(iter())*fvc::interpolate(iter().nu());
+    }
+
+    return tnuf;
+}
+
+void Foam::multiphaseMixture::solve()
+{
+    correct();
+
+    const Time& runTime = mesh_.time();
+
+    volScalarField& alpha = phases_.first();
+
+    const dictionary& alphaControls = mesh_.solverDict("alpha");
+    label nAlphaSubCycles(readLabel(alphaControls.lookup("nAlphaSubCycles")));
+    scalar cAlpha(readScalar(alphaControls.lookup("cAlpha")));
+
+    if (nAlphaSubCycles > 1)
+    {
+        surfaceScalarField rhoPhiSum
+        (
+            IOobject
+            (
+                "rhoPhiSum",
+                runTime.timeName(),
+                mesh_
+            ),
+            mesh_,
+            dimensionedScalar("0", rhoPhi_.dimensions(), 0)
+        );
+
+        dimensionedScalar totalDeltaT = runTime.deltaT();
+
+        for
+        (
+            subCycle<volScalarField> alphaSubCycle(alpha, nAlphaSubCycles);
+            !(++alphaSubCycle).end();
+        )
+        {
+            FatalError << "Sub-cycling of the alpha equation not yet implemented!!" << abort(FatalError);
+            solveAlphas(cAlpha);
+            rhoPhiSum += (runTime.deltaT()/totalDeltaT)*rhoPhi_;
+        }
+
+        rhoPhi_ = rhoPhiSum;
+    }
+    else
+    {
+        solveAlphas(cAlpha);
+    }
+
+    // Update the mixture kinematic viscosity
+    nu_ = calcNu();
+    surfaceTensionForce_ = calcStf();
+}
+
+
+void Foam::multiphaseMixture::correct()
+{
+    forAllIter(PtrDictionary<phase>, phases_, iter)
+    {
+        iter().correct();
+    }
+}
+
+
+Foam::tmp<Foam::surfaceVectorField> Foam::multiphaseMixture::nHatfv
+(
+    const volScalarField& alpha1,
+    const volScalarField& alpha2
+) const
+{
+    /*
+    // Cell gradient of alpha
+    volVectorField gradAlpha =
+        alpha2*fvc::grad(alpha1) - alpha1*fvc::grad(alpha2);
+
+    // Interpolated face-gradient of alpha
+    surfaceVectorField gradAlphaf = fvc::interpolate(gradAlpha);
+    */
+
+    surfaceVectorField gradAlphaf
+    (
+        fvc::interpolate(alpha2)*fvc::interpolate(fvc::grad(alpha1))
+      - fvc::interpolate(alpha1)*fvc::interpolate(fvc::grad(alpha2))
+    );
+
+    // Face unit interface normal
+    return gradAlphaf/(mag(gradAlphaf) + deltaN_);
+}
+
+
+Foam::tmp<Foam::surfaceScalarField> Foam::multiphaseMixture::nHatf
+(
+    const volScalarField& alpha1,
+    const volScalarField& alpha2
+) const
+{
+    // Face unit interface normal flux
+    return nHatfv(alpha1, alpha2) & mesh_.Sf();
+}
+
+
+// Correction for the boundary condition on the unit normal nHat on
+// walls to produce the correct contact angle.
+
+// 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
+(
+    const phase& alpha1,
+    const phase& alpha2,
+    surfaceVectorField::Boundary& nHatb
+) const
+{
+    const volScalarField::Boundary& gbf
+        = alpha1.boundaryField();
+
+    const fvBoundaryMesh& boundary = mesh_.boundary();
+
+    forAll(boundary, patchi)
+    {
+        if (isA<alphaContactAngleFvPatchScalarField>(gbf[patchi]))
+        {
+            const alphaContactAngleFvPatchScalarField& acap =
+                refCast<const alphaContactAngleFvPatchScalarField>(gbf[patchi]);
+
+            vectorField& nHatPatch = nHatb[patchi];
+
+            vectorField AfHatPatch
+            (
+                mesh_.Sf().boundaryField()[patchi]
+               /mesh_.magSf().boundaryField()[patchi]
+            );
+
+            alphaContactAngleFvPatchScalarField::thetaPropsTable::
+                const_iterator tp =
+                acap.thetaProps().find(interfacePair(alpha1, alpha2));
+
+            if (tp == acap.thetaProps().end())
+            {
+                FatalErrorInFunction
+                    << "Cannot find interface " << interfacePair(alpha1, alpha2)
+                    << "\n    in table of theta properties for patch "
+                    << acap.patch().name()
+                    << exit(FatalError);
+            }
+
+            bool matched = (tp.key().first() == alpha1.name());
+
+            scalar theta0 = convertToRad*tp().theta0(matched);
+            scalarField theta(boundary[patchi].size(), theta0);
+
+            scalar uTheta = tp().uTheta();
+
+            // Calculate the dynamic contact angle if required
+            if (uTheta > SMALL)
+            {
+                scalar thetaA = convertToRad*tp().thetaA(matched);
+                scalar thetaR = convertToRad*tp().thetaR(matched);
+
+                // Calculated the component of the velocity parallel to the wall
+                vectorField Uwall
+                (
+                    U_.boundaryField()[patchi].patchInternalField()
+                  - U_.boundaryField()[patchi]
+                );
+                Uwall -= (AfHatPatch & Uwall)*AfHatPatch;
+
+                // Find the direction of the interface parallel to the wall
+                vectorField nWall
+                (
+                    nHatPatch - (AfHatPatch & nHatPatch)*AfHatPatch
+                );
+
+                // Normalise nWall
+                nWall /= (mag(nWall) + SMALL);
+
+                // Calculate Uwall resolved normal to the interface parallel to
+                // the interface
+                scalarField uwall(nWall & Uwall);
+
+                theta += (thetaA - thetaR)*tanh(uwall/uTheta);
+            }
+
+
+            // Reset nHatPatch to correspond to the contact angle
+
+            scalarField a12(nHatPatch & AfHatPatch);
+
+            scalarField b1(cos(theta));
+
+            scalarField b2(nHatPatch.size());
+
+            forAll(b2, facei)
+            {
+                b2[facei] = cos(acos(a12[facei]) - theta[facei]);
+            }
+
+            scalarField det(1.0 - a12*a12);
+
+            scalarField a((b1 - a12*b2)/det);
+            scalarField b((b2 - a12*b1)/det);
+
+            nHatPatch = a*AfHatPatch + b*nHatPatch;
+
+            nHatPatch /= (mag(nHatPatch) + deltaN_.value());
+        }
+    }
+}
+
+
+Foam::tmp<Foam::volScalarField> Foam::multiphaseMixture::K
+(
+    const phase& alpha1,
+    const phase& alpha2
+) const
+{
+    tmp<surfaceVectorField> tnHatfv = nHatfv(alpha1, alpha2);
+
+    correctContactAngle(alpha1, alpha2, tnHatfv.ref().boundaryFieldRef());
+
+    // Simple expression for curvature
+    return -fvc::div(tnHatfv & mesh_.Sf());
+}
+
+
+Foam::tmp<Foam::volScalarField>
+Foam::multiphaseMixture::nearInterface() const
+{
+    tmp<volScalarField> tnearInt
+    (
+        new volScalarField
+        (
+            IOobject
+            (
+                "nearInterface",
+                mesh_.time().timeName(),
+                mesh_
+            ),
+            mesh_,
+            dimensionedScalar("nearInterface", dimless, 0.0)
+        )
+    );
+
+    forAllConstIter(PtrDictionary<phase>, phases_, iter)
+    {
+        tnearInt.ref() = max(tnearInt(), pos(iter() - 0.01)*pos(0.99 - iter()));
+    }
+
+    return tnearInt;
+}
+
+
+void Foam::multiphaseMixture::solveAlphas
+(
+    const scalar cAlpha
+)
+{
+    static label nSolves=-1;
+    nSolves++;
+
+    word alphaScheme("div(phi,alpha)");
+    word alpharScheme("div(phirb,alpha)");
+
+    surfaceScalarField phic(mag(phi_/mesh_.magSf()));
+    phic = min(cAlpha*phic, max(phic));
+
+    PtrList<surfaceScalarField> alphaPhiCorrs(phases_.size());
+    int phasei = 0;
+
+    forAllIter(PtrDictionary<phase>, phases_, iter)
+    {
+        phase& alpha = iter();
+
+        alphaPhiCorrs.set
+        (
+            phasei,
+            new surfaceScalarField
+            (
+                "phi" + alpha.name() + "Corr",
+                fvc::flux
+                (
+                    phi_,
+                    alpha,
+                    alphaScheme
+                )
+            )
+        );
+
+        surfaceScalarField& alphaPhiCorr = alphaPhiCorrs[phasei];
+
+        forAllIter(PtrDictionary<phase>, phases_, iter2)
+        {
+            phase& alpha2 = iter2();
+
+            if (&alpha2 == &alpha) continue;
+
+            surfaceScalarField phir(phic*nHatf(alpha, alpha2));
+
+            alphaPhiCorr += fvc::flux
+            (
+                -fvc::flux(-phir, alpha2, alpharScheme),
+                alpha,
+                alpharScheme
+            );
+        }
+
+        MULES::limit
+        (
+            1.0/mesh_.time().deltaT().value(),
+            voidfraction_,
+            alpha,
+            phi_,
+            alphaPhiCorr,
+            zeroField(),
+            zeroField(),
+            1,
+            0,
+            true
+        );
+
+        phasei++;
+    }
+
+    MULES::limitSum(alphaPhiCorrs);
+
+    rhoPhi_ = dimensionedScalar("0", dimensionSet(1, 0, -1, 0, 0), 0);
+
+    volScalarField sumAlpha
+    (
+        IOobject
+        (
+            "sumAlpha",
+            mesh_.time().timeName(),
+            mesh_
+        ),
+        mesh_,
+        dimensionedScalar("sumAlpha", dimless, 0)
+    );
+
+    phasei = 0;
+
+    forAllIter(PtrDictionary<phase>, phases_, iter)
+    {
+        phase& alpha = iter();
+
+        surfaceScalarField& alphaPhi = alphaPhiCorrs[phasei];
+        alphaPhi += upwind<scalar>(mesh_, phi_).flux(alpha);
+
+        MULES::explicitSolve
+        (
+            voidfraction_,
+            alpha,
+            alphaPhi,
+            zeroField(),
+            zeroField()
+        );
+
+        rhoPhi_ += alphaPhi*alpha.rho();
+
+        Info<< alpha.name() << " volume fraction, min, max = "
+            << alpha.weightedAverage(mesh_.V()).value()
+            << ' ' << min(alpha).value()
+            << ' ' << max(alpha).value()
+            << endl;
+
+        sumAlpha += alpha;
+
+        phasei++;
+    }
+
+    Info<< "Phase-sum volume fraction, min, max = "
+        << sumAlpha.weightedAverage(mesh_.V()).value()
+        << ' ' << min(sumAlpha).value()
+        << ' ' << max(sumAlpha).value()
+        << endl;
+
+    calcAlphas();
+}
+
+
+bool Foam::multiphaseMixture::read()
+{
+    if (transportModel::read())
+    {
+        bool readOK = true;
+
+        PtrList<entry> phaseData(lookup("phases"));
+        label phasei = 0;
+
+        forAllIter(PtrDictionary<phase>, phases_, iter)
+        {
+            readOK &= iter().read(phaseData[phasei++].dict());
+        }
+
+        lookup("sigmas") >> sigmas_;
+
+        return readOK;
+    }
+    else
+    {
+        return false;
+    }
+}
+
+
+// ************************************************************************* //

applications/solvers/cfdemSolverMultiphase/multiphaseMixture/multiphaseMixture.H

@@ -0,0 +1,284 @@
+/*---------------------------------------------------------------------------*\
+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) 2018- Mathias Vångö, JKU Linz, Austria
+
+Class
+    multiphaseMixture
+
+Description
+    This class is based on the OpenFOAM(R) Foam::multiphaseMixture 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
+    transport equations.
+
+    Derived from transportModel so that it can be unsed in conjunction with
+    the incompressible turbulence models.
+
+    Surface tension and contact-angle is handled for the interface
+    between each phase-pair.
+
+SourceFiles
+    multiphaseMixture.C
+\*---------------------------------------------------------------------------*/
+
+#ifndef multiphaseMixture_H
+#define multiphaseMixture_H
+
+#include "incompressible/transportModel/transportModel.H"
+#include "IOdictionary.H"
+#include "phase.H"
+#include "PtrDictionary.H"
+#include "volFields.H"
+#include "surfaceFields.H"
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+namespace Foam
+{
+
+/*---------------------------------------------------------------------------*\
+                      Class multiphaseMixture Declaration
+\*---------------------------------------------------------------------------*/
+
+class multiphaseMixture
+:
+    public IOdictionary,
+    public transportModel
+{
+public:
+
+    class interfacePair
+    :
+        public Pair<word>
+    {
+    public:
+
+        class hash
+        :
+            public Hash<interfacePair>
+        {
+        public:
+
+            hash()
+            {}
+
+            label operator()(const interfacePair& key) const
+            {
+                return word::hash()(key.first()) + word::hash()(key.second());
+            }
+        };
+
+
+        // Constructors
+
+            interfacePair()
+            {}
+
+            interfacePair(const word& alpha1Name, const word& alpha2Name)
+            :
+                Pair<word>(alpha1Name, alpha2Name)
+            {}
+
+            interfacePair(const phase& alpha1, const phase& alpha2)
+            :
+                Pair<word>(alpha1.name(), alpha2.name())
+            {}
+
+
+        // Friend Operators
+
+            friend bool operator==
+            (
+                const interfacePair& a,
+                const interfacePair& b
+            )
+            {
+                return
+                (
+                    ((a.first() == b.first()) && (a.second() == b.second()))
+                 || ((a.first() == b.second()) && (a.second() == b.first()))
+                );
+            }
+
+            friend bool operator!=
+            (
+                const interfacePair& a,
+                const interfacePair& b
+            )
+            {
+                return (!(a == b));
+            }
+    };
+
+
+private:
+
+    // Private data
+
+        //- Dictionary of phases
+        PtrDictionary<phase> phases_;
+
+        const fvMesh& mesh_;
+        const volVectorField& U_;
+        const surfaceScalarField& phi_;
+        const volScalarField& voidfraction_;
+        surfaceScalarField rhoPhi_;
+        surfaceScalarField surfaceTensionForce_;
+        volScalarField alphas_;
+
+        volScalarField nu_;
+
+        typedef HashTable<scalar, interfacePair, interfacePair::hash>
+            sigmaTable;
+
+        sigmaTable sigmas_;
+        dimensionSet dimSigma_;
+
+        //- Stabilisation for normalisation of the interface normal
+        const dimensionedScalar deltaN_;
+
+        //- Conversion factor for degrees into radians
+        static const scalar convertToRad;
+
+
+    // Private member functions
+
+        void calcAlphas();
+
+        tmp<volScalarField> calcNu() const;
+
+        void solveAlphas(const scalar cAlpha);
+
+        tmp<surfaceVectorField> nHatfv
+        (
+            const volScalarField& alpha1,
+            const volScalarField& alpha2
+        ) const;
+
+        tmp<surfaceScalarField> nHatf
+        (
+            const volScalarField& alpha1,
+            const volScalarField& alpha2
+        ) const;
+
+        void correctContactAngle
+        (
+            const phase& alpha1,
+            const phase& alpha2,
+            surfaceVectorField::Boundary& nHatb
+        ) const;
+
+        tmp<volScalarField> K(const phase& alpha1, const phase& alpha2) const;
+        tmp<surfaceScalarField> calcStf() const;
+
+public:
+
+    // Constructors
+
+        //- Construct from components
+        multiphaseMixture
+        (
+            const volVectorField& U,
+            const surfaceScalarField& phi,
+            const volScalarField& voidfraction
+        );
+
+
+    //- Destructor
+    virtual ~multiphaseMixture()
+    {}
+
+
+    // Member Functions
+
+        //- Return the phases
+        const PtrDictionary<phase>& phases() const
+        {
+            return phases_;
+        }
+
+        //- Return the velocity
+        const volVectorField& U() const
+        {
+            return U_;
+        }
+
+        //- Return the volumetric flux
+        const surfaceScalarField& phi() const
+        {
+            return phi_;
+        }
+
+        const surfaceScalarField& rhoPhi() const
+        {
+            return rhoPhi_;
+        }
+
+        //- Return the mixture density
+        tmp<volScalarField> rho() const;
+
+        //- Return the mixture density for patch
+        tmp<scalarField> rho(const label patchi) const;
+
+        //- Return the dynamic laminar viscosity
+        tmp<volScalarField> mu() const;
+
+        //- Return the dynamic laminar viscosity for patch
+        tmp<scalarField> mu(const label patchi) const;
+
+        //- Return the face-interpolated dynamic laminar viscosity
+        tmp<surfaceScalarField> muf() const;
+
+        //- Return the kinematic laminar viscosity
+        tmp<volScalarField> nu() const;
+
+        //- Return the laminar viscosity for patch
+        tmp<scalarField> nu(const label patchi) const;
+
+        //- Return the face-interpolated dynamic laminar viscosity
+        tmp<surfaceScalarField> nuf() const;
+
+        tmp<surfaceScalarField> surfaceTensionForce() const
+        {
+            return surfaceTensionForce_;
+        }
+
+        //- Indicator of the proximity of the interface
+        //  Field values are 1 near and 0 away for the interface.
+        tmp<volScalarField> nearInterface() const;
+
+        //- Solve for the mixture phase-fractions
+        void solve();
+
+        //- Correct the mixture properties
+        void correct();
+
+        //- Read base transportProperties dictionary
+        bool read();
+};
+
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+} // End namespace Foam
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+#endif
+
+// ************************************************************************* //

applications/solvers/cfdemSolverMultiphase/multiphaseMixture/phase/phase.C

@@ -0,0 +1,98 @@
+/*---------------------------------------------------------------------------*\
+  =========                 |
+  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
+   \\    /   O peration     |
+    \\  /    A nd           | Copyright (C) 2011-2015 OpenFOAM Foundation
+     \\/     M anipulation  |
+-------------------------------------------------------------------------------
+License
+    This file is part of OpenFOAM.
+
+    OpenFOAM 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.
+
+    OpenFOAM 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 OpenFOAM.  If not, see <http://www.gnu.org/licenses/>.
+
+\*---------------------------------------------------------------------------*/
+
+#include "phase.H"
+
+// * * * * * * * * * * * * * * * * Constructors  * * * * * * * * * * * * * * //
+
+Foam::phase::phase
+(
+    const word& phaseName,
+    const dictionary& phaseDict,
+    const volVectorField& U,
+    const surfaceScalarField& phi
+)
+:
+    volScalarField
+    (
+        IOobject
+        (
+            IOobject::groupName("alpha", phaseName),
+            U.mesh().time().timeName(),
+            U.mesh(),
+            IOobject::MUST_READ,
+            IOobject::AUTO_WRITE
+        ),
+        U.mesh()
+    ),
+    name_(phaseName),
+    phaseDict_(phaseDict),
+    nuModel_
+    (
+        viscosityModel::New
+        (
+            IOobject::groupName("nu", phaseName),
+            phaseDict_,
+            U,
+            phi
+        )
+    ),
+    rho_("rho", dimDensity, phaseDict_)
+{}
+
+
+// * * * * * * * * * * * * * * * Member Functions  * * * * * * * * * * * * * //
+
+Foam::autoPtr<Foam::phase> Foam::phase::clone() const
+{
+    NotImplemented;
+    return autoPtr<phase>(NULL);
+}
+
+
+void Foam::phase::correct()
+{
+    nuModel_->correct();
+}
+
+
+bool Foam::phase::read(const dictionary& phaseDict)
+{
+    phaseDict_ = phaseDict;
+
+    if (nuModel_->read(phaseDict_))
+    {
+        phaseDict_.lookup("rho") >> rho_;
+
+        return true;
+    }
+    else
+    {
+        return false;
+    }
+}
+
+
+// ************************************************************************* //

applications/solvers/cfdemSolverMultiphase/multiphaseMixture/phase/phase.H

@@ -0,0 +1,163 @@
+/*---------------------------------------------------------------------------*\
+  =========                 |
+  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
+   \\    /   O peration     |
+    \\  /    A nd           | Copyright (C) 2011-2015 OpenFOAM Foundation
+     \\/     M anipulation  |
+-------------------------------------------------------------------------------
+License
+    This file is part of OpenFOAM.
+
+    OpenFOAM 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.
+
+    OpenFOAM 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 OpenFOAM.  If not, see <http://www.gnu.org/licenses/>.
+
+Class
+    Foam::phase
+
+Description
+    Single incompressible phase derived from the phase-fraction.
+    Used as part of the multiPhaseMixture for interface-capturing multi-phase
+    simulations.
+
+SourceFiles
+    phase.C
+
+\*---------------------------------------------------------------------------*/
+
+#ifndef phase_H
+#define phase_H
+
+#include "volFields.H"
+#include "dictionaryEntry.H"
+#include "incompressible/viscosityModels/viscosityModel/viscosityModel.H"
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+namespace Foam
+{
+
+/*---------------------------------------------------------------------------*\
+                           Class phase Declaration
+\*---------------------------------------------------------------------------*/
+
+class phase
+:
+    public volScalarField
+{
+    // Private data
+
+        word name_;
+        dictionary phaseDict_;
+        autoPtr<viscosityModel> nuModel_;
+        dimensionedScalar rho_;
+
+
+public:
+
+    // Constructors
+
+        //- Construct from components
+        phase
+        (
+            const word& name,
+            const dictionary& phaseDict,
+            const volVectorField& U,
+            const surfaceScalarField& phi
+        );
+
+        //- Return clone
+        autoPtr<phase> clone() const;
+
+        //- Return a pointer to a new phase created on freestore
+        //  from Istream
+        class iNew
+        {
+            const volVectorField& U_;
+            const surfaceScalarField& phi_;
+
+        public:
+
+            iNew
+            (
+                const volVectorField& U,
+                const surfaceScalarField& phi
+            )
+            :
+                U_(U),
+                phi_(phi)
+            {}
+
+            autoPtr<phase> operator()(Istream& is) const
+            {
+                dictionaryEntry ent(dictionary::null, is);
+                return autoPtr<phase>(new phase(ent.keyword(), ent, U_, phi_));
+            }
+        };
+
+
+    // Member Functions
+
+        const word& name() const
+        {
+            return name_;
+        }
+
+        const word& keyword() const
+        {
+            return name();
+        }
+
+        //- Return const-access to phase1 viscosityModel
+        const viscosityModel& nuModel() const
+        {
+            return nuModel_();
+        }
+
+        //- Return the kinematic laminar viscosity
+        tmp<volScalarField> nu() const
+        {
+            return nuModel_->nu();
+        }
+
+        //- Return the laminar viscosity for patch
+        tmp<scalarField> nu(const label patchi) const
+        {
+            return nuModel_->nu(patchi);
+        }
+
+        //- Return const-access to phase1 density
+        const dimensionedScalar& rho() const
+        {
+            return rho_;
+        }
+
+        //- Correct the phase properties
+        void correct();
+
+        //-Inherit read from volScalarField
+        using volScalarField::read;
+
+        //- Read base transportProperties dictionary
+        bool read(const dictionary& phaseDict);
+};
+
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+} // End namespace Foam
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+#endif
+
+// ************************************************************************* //

applications/solvers/cfdemSolverMultiphase/pEqn.H

@@ -0,0 +1,73 @@
+{
+    volScalarField rAU("rAU", 1.0/UEqn.A());
+    surfaceScalarField rAUepsf("rAUepsf", fvc::interpolate(rAU*voidfraction));
+    surfaceScalarField rAUepsSqf("rAUepsSqf", fvc::interpolate(rAU*voidfraction*voidfraction));
+    volVectorField Ueps("Ueps", U * voidfraction);
+
+    volVectorField HbyA(constrainHbyA(rAU*UEqn.H(), U, p_rgh));
+
+    surfaceScalarField phiHbyA
+    (
+        "phiHbyA",
+        fvc::flux(HbyA*voidfraction)
+      + fvc::interpolate(voidfraction*rho*rAU)*fvc::ddtCorr(U, phi)
+    );
+
+    adjustPhi(phiHbyA, U, p_rgh);
+
+    if (modelType == "A")
+        rAUepsf = rAUepsSqf;
+
+    surfaceScalarField phig (-ghf*fvc::snGrad(rho)*rAUepsf*mesh.magSf());
+
+    surfaceScalarField phiSt (mixture.surfaceTensionForce()*rAUepsSqf*mesh.magSf());
+
+    surfaceScalarField phiS (fvc::flux(voidfraction*Us*Ksl*rAU));
+
+    phiHbyA += phig + phiSt + phiS;
+
+    // Update the pressure BCs to ensure flux consistency
+    constrainPressure(p_rgh, Ueps, phiHbyA, rAUepsf);
+
+    while (pimple.correctNonOrthogonal())
+    {
+        fvScalarMatrix p_rghEqn
+        (
+            fvm::laplacian(rAUepsf, p_rgh) == particleCloud.ddtVoidfraction() + fvc::div(phiHbyA)
+        );
+
+        p_rghEqn.setReference(pRefCell, getRefCellValue(p_rgh, pRefCell));
+
+        p_rghEqn.solve(mesh.solver(p_rgh.select(pimple.finalInnerIter())));
+
+        if (pimple.finalNonOrthogonalIter())
+        {
+            phi = phiHbyA - p_rghEqn.flux();
+
+            p_rgh.relax();
+
+            if (modelType == "A")
+                U = HbyA + voidfraction*rAU*fvc::reconstruct((phig-p_rghEqn.flux()+phiSt)/rAUepsf) + rAU*Us*Ksl;
+            else
+                U = HbyA + rAU*fvc::reconstruct((phig-p_rghEqn.flux()+phiSt)/rAUepsf) + rAU*Us*Ksl;
+
+            U.correctBoundaryConditions();
+            fvOptions.correct(U);
+        }
+    }
+
+    #include "continuityErrs.H"
+
+    p == p_rgh + rho*gh;
+
+    if (p_rgh.needReference())
+    {
+        p += dimensionedScalar
+        (
+            "p",
+            p.dimensions(),
+            pRefValue - getRefCellValue(p, pRefCell)
+        );
+        p_rgh = p - rho*gh;
+    }
+}

applications/solvers/cfdemSolverPiso/Make/options

@@ -18,6 +18,7 @@ EXE_LIBS = \
     -lincompressibleTransportModels \
     -lfiniteVolume \
     -lmeshTools \
+    -lfvOptions \
     -l$(CFDEM_LIB_NAME) \
      $(CFDEM_ADD_LIB_PATHS) \
      $(CFDEM_ADD_LIBS)

applications/solvers/cfdemSolverPiso/UEqn.H

@@ -4,6 +4,7 @@ fvVectorMatrix UEqn
   + fvm::div(phi,U) - fvm::Sp(fvc::div(phi),U)
   + particleCloud.divVoidfractionTau(U, voidfraction)
   ==
+    fvOptions(U)
   - fvm::Sp(Ksl/rho,U)
 );
 
@@ -14,10 +15,10 @@ fvOptions.constrain(UEqn);
 if (piso.momentumPredictor() && (modelType=="B" || modelType=="Bfull"))
 {
     solve(UEqn == - fvc::grad(p) + Ksl/rho*Us);
-    fvOptions.correct(U);		    
+    fvOptions.correct(U);
 }
 else if (piso.momentumPredictor())
 {
     solve(UEqn == - voidfraction*fvc::grad(p) + Ksl/rho*Us);
     fvOptions.correct(U);
-}
+}

applications/solvers/cfdemSolverPiso/cfdemSolverPiso.C

@@ -86,12 +86,12 @@ int main(int argc, char *argv[])
         Ksl = particleCloud.momCoupleM(0).impMomSource();
         Ksl.correctBoundaryConditions();
 
-       //Force Checks
-       vector fTotal(0,0,0);
-       vector fImpTotal = sum(mesh.V()*Ksl.internalField()*(Us.internalField()-U.internalField())).value();
-       reduce(fImpTotal, sumOp<vector>());
-       Info << "TotalForceExp: " << fTotal << endl;
-       Info << "TotalForceImp: " << fImpTotal << endl;
+        //Force Checks
+        vector fTotal(0,0,0);
+        vector fImpTotal = sum(mesh.V()*Ksl.internalField()*(Us.internalField()-U.internalField())).value();
+        reduce(fImpTotal, sumOp<vector>());
+        Info << "TotalForceExp: " << fTotal << endl;
+        Info << "TotalForceImp: " << fImpTotal << endl;
 
         #include "solverDebugInfo.H"
         particleCloud.clockM().stop("Coupling");

applications/solvers/cfdemSolverPiso/createFields.H

@@ -96,17 +96,17 @@
 #define createPhi_H
 Info<< "Reading/calculating face flux field phi\n" << endl;
 surfaceScalarField phi
- (
-     IOobject
-     (
+(
+    IOobject
+    (
         "phi",
         runTime.timeName(),
          mesh,
         IOobject::READ_IF_PRESENT,
         IOobject::AUTO_WRITE
-     ),
-     linearInterpolate(U*voidfraction) & mesh.Sf()
- );
+    ),
+    linearInterpolate(U*voidfraction) & mesh.Sf()
+);
 #endif
 
 
@@ -123,4 +123,4 @@ surfaceScalarField phi
         incompressible::turbulenceModel::New(U, phi, laminarTransport)
     );
 
-#include "createMRF.H"
+#include "createMRF.H"

applications/solvers/cfdemSolverPiso/pEqn.H

@@ -31,12 +31,12 @@ constrainPressure(p, Uvoidfraction, phiHbyA, rAUvoidfraction, MRF);
 while (piso.correctNonOrthogonal())
 {
     // Pressure corrector
-  
+
     fvScalarMatrix pEqn
     (
         fvm::laplacian(rAUvoidfraction, p) == fvc::div(phi) + particleCloud.ddtVoidfraction()
     );
-    
+
     pEqn.setReference(pRefCell, pRefValue);
 
     pEqn.solve(mesh.solver(p.select(piso.finalInnerIter())));
@@ -55,4 +55,4 @@ else
     U = HbyA - voidfraction*rAU*fvc::grad(p) + Ksl/rho*Us*rAU;
 
 U.correctBoundaryConditions();
-fvOptions.correct(U);
+fvOptions.correct(U);

applications/solvers/cfdemSolverPisoScalar/TEqn.H

@@ -1,4 +1,4 @@
- // get scalar source from DEM        
+ // get scalar source from DEM
         particleCloud.forceM(1).manipulateScalarField(Tsource);
         Tsource.correctBoundaryConditions();
 
@@ -12,4 +12,4 @@
            Tsource
         );
         TEqn.relax();
-        TEqn.solve();
+        TEqn.solve();

applications/solvers/cfdemSolverPisoScalar/cfdemSolverPisoScalar.C

@@ -81,23 +81,23 @@ int main(int argc, char *argv[])
         {
             particleCloud.smoothingM().smoothen(particleCloud.forceM(0).impParticleForces());
         }
-    
+
         Info << "update Ksl.internalField()" << endl;
         Ksl = particleCloud.momCoupleM(0).impMomSource();
         Ksl.correctBoundaryConditions();
 
-       //Force Checks
-       vector fTotal(0,0,0);
-       vector fImpTotal = sum(mesh.V()*Ksl.internalField()*(Us.internalField()-U.internalField())).value();
-       reduce(fImpTotal, sumOp<vector>());
-       Info << "TotalForceExp: " << fTotal << endl;
-       Info << "TotalForceImp: " << fImpTotal << endl;
+        //Force Checks
+        vector fTotal(0,0,0);
+        vector fImpTotal = sum(mesh.V()*Ksl.internalField()*(Us.internalField()-U.internalField())).value();
+        reduce(fImpTotal, sumOp<vector>());
+        Info << "TotalForceExp: " << fTotal << endl;
+        Info << "TotalForceImp: " << fImpTotal << endl;
 
         #include "solverDebugInfo.H"
         particleCloud.clockM().stop("Coupling");
 
         particleCloud.clockM().start(26,"Flow");
-	
+
         #include "TEqn.H"
 
         if(particleCloud.solveFlow())

applications/solvers/cfdemSolverPisoScalar/createFields.H

@@ -146,17 +146,17 @@
 #define createPhi_H
 Info<< "Reading/calculating face flux field phi\n" << endl;
 surfaceScalarField phi
- (
-     IOobject
-     (
+(
+    IOobject
+    (
         "phi",
         runTime.timeName(),
          mesh,
         IOobject::READ_IF_PRESENT,
         IOobject::AUTO_WRITE
-     ),
-     linearInterpolate(U*voidfraction) & mesh.Sf()
- );
+    ),
+    linearInterpolate(U*voidfraction) & mesh.Sf()
+);
 #endif
 
 
@@ -173,4 +173,4 @@ surfaceScalarField phi
         incompressible::turbulenceModel::New(U, phi, laminarTransport)
     );
 
-#include "createMRF.H"
+#include "createMRF.H"

applications/solvers/cfdemSolverRhoPimple/EEqn.H

@@ -6,8 +6,8 @@
     particleCloud.energyContributions(Qsource);
     particleCloud.energyCoefficients(QCoeff);
 
-    //thDiff=particleCloud.thermCondM().thermDiff();   
-    thCond=particleCloud.thermCondM().thermCond(); 
+    //thDiff=particleCloud.thermCondM().thermDiff();
+    thCond=particleCloud.thermCondM().thermCond();
 
     addSource = fvc::ddt(rhoeps, K) + fvc::div(phi, K)
       + (
@@ -23,6 +23,9 @@
 
     Cpv = he.name() == "e" ? thermo.Cv() : thermo.Cp();
 
+    // correct source for the thermodynamic reference temperature
+    dimensionedScalar Tref("Tref", dimTemperature, T[0]-he[0]/(Cpv[0]+SMALL));
+    Qsource += QCoeff*Tref;
 
     fvScalarMatrix EEqn
     (
@@ -39,7 +42,7 @@
      ==
         fvOptions(rho, he)
     );
-    
+
 
     EEqn.relax();
 
@@ -53,7 +56,7 @@
 
     Info<< "T max/min : " << max(T).value() << " " << min(T).value() << endl;
 
-    particleCloud.clockM().start(31,"postFlow");
-    particleCloud.postFlow();
-    particleCloud.clockM().stop("postFlow");
+    particleCloud.clockM().start(31,"energySolve");
+    particleCloud.solve();
+    particleCloud.clockM().stop("energySolve");
 }

applications/solvers/cfdemSolverRhoPimple/cfdemSolverRhoPimple.C

@@ -69,8 +69,8 @@ int main(int argc, char *argv[])
     #include "checkModelType.H"
 
     turbulence->validate();
-  //        #include "compressibleCourantNo.H"
-  //  #include "setInitialDeltaT.H"
+    //#include "compressibleCourantNo.H"
+    //#include "setInitialDeltaT.H"
 
     // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
@@ -139,6 +139,10 @@ int main(int argc, char *argv[])
             }
         }
 
+        particleCloud.clockM().start(31,"postFlow");
+        particleCloud.postFlow();
+        particleCloud.clockM().stop("postFlow");
+
         runTime.write();
 
 

applications/solvers/cfdemSolverRhoPimple/pEqn.H

@@ -32,7 +32,7 @@ else
     //      + rhorAUf*fvc::ddtCorr(rho, U, phi)
         )
     );
-    
+
     // flux without pressure gradient contribution
     phi = phiHbyA + phiUs;
 

applications/solvers/cfdemSolverRhoPimple/rhoEqn.H

@@ -14,4 +14,4 @@
     fvOptions.correct(rho);
 }
 
-// ************************************************************************* //
+// ************************************************************************* //

applications/solvers/cfdemSolverRhoPimpleChem/EEqn.H

@@ -0,0 +1,55 @@
+// contributions to internal energy equation can be found in
+// Crowe et al.: "Multiphase flows with droplets and particles", CRC Press 1998
+{
+// dim he = J / kg
+volScalarField& he = thermo.he();
+particleCloud.energyContributions(Qsource);
+particleCloud.energyCoefficients(QCoeff);
+
+thCond=particleCloud.thermCondM().thermCond();
+Cpv = he.name() == "e" ? thermo.Cv() : thermo.Cp();
+
+// correct source for the thermodynamic reference temperature
+dimensionedScalar Tref("Tref", dimTemperature, T[0]-he[0]/(Cpv[0]+SMALL));
+Qsource += QCoeff*Tref;
+
+fvScalarMatrix EEqn
+(
+    fvm::ddt(rhoeps, he) + fvm::div(phi, he)
+  + fvc::ddt(rhoeps, K) + fvc::div(phi, K)
+    + (
+        he.name() == "e"
+        ? fvc::div
+            (
+                fvc::absolute(phi/fvc::interpolate(rho), voidfraction*U),
+                p,
+              "div(phiv,p)"
+           )
+          : -dpdt
+       )
+    // net heat transfer from particles to fluid
+      - Qsource
+      - fvm::Sp(QCoeff/Cpv, he)
+    // thermal conduction of the fluid with effective conductivity
+      - fvm::laplacian(voidfraction*thCond/Cpv,he)
+    // + particle-fluid energy transfer due to work
+    // + fluid energy dissipation due to shearing
+     ==
+//      + combustion->Sh()
+       fvOptions(rho, he)
+    );
+
+    EEqn.relax();
+
+    fvOptions.constrain(EEqn);
+
+    EEqn.solve();
+
+    fvOptions.correct(he);
+
+    thermo.correct();
+
+    Info<< "T max/min : " << max(T).value() << " " << min(T).value() << endl;
+    Info << "he min/max : " << max(he).value() << "  " << min(he).value() << endl;
+
+}

applications/solvers/cfdemSolverRhoPimpleChem/Make/files

@@ -0,0 +1,3 @@
+cfdemSolverRhoPimpleChem.C
+
+EXE=$(CFDEM_APP_DIR)/cfdemSolverRhoPimpleChem

applications/solvers/cfdemSolverRhoPimpleChem/Make/options

@@ -0,0 +1,60 @@
+include $(CFDEM_ADD_LIBS_DIR)/additionalLibs
+
+PFLAGS+= -Dcompre
+
+EXE_INC = \
+     $(PFLAGS) \
+    -I../. \
+    -I$(CFDEM_OFVERSION_DIR) \
+    -I$(LIB_SRC)/finiteVolume/cfdTools \
+    -I$(LIB_SRC)/finiteVolume/lnInclude \
+    -I$(LIB_SRC)/TurbulenceModels/turbulenceModels/lnInclude \
+    -I$(LIB_SRC)/TurbulenceModels/compressible/lnInclude \
+    -I$(LIB_SRC)/thermophysicalModels/basic/lnInclude \
+    -I$(LIB_SRC)/meshTools/lnInclude \
+    -I$(LIB_SRC)/sampling/lnInclude \
+    -I$(LIB_SRC)/fvOptions/lnInclude \
+    -I$(CFDEM_SRC_DIR)/lagrangian/cfdemParticle/lnInclude \
+    -I$(CFDEM_SRC_DIR)/lagrangian/cfdemParticle/cfdTools \
+    -I$(LIB_SRC)/thermophysicalModels/specie/lnInclude \
+    -I$(LIB_SRC)/transportModels/compressible/lnInclude \
+    -I$(LIB_SRC)/thermophysicalModels/basic/lnInclude \
+    -I$(LIB_SRC)/thermophysicalModels/properties/liquidProperties/lnInclude \
+    -I$(LIB_SRC)/thermophysicalModels/properties/liquidMixtureProperties/lnInclude \
+    -I$(LIB_SRC)/thermophysicalModels/thermophysicalFunctions/lnInclude \
+    -I$(LIB_SRC)/thermophysicalModels/reactionThermo/lnInclude \
+    -I$(LIB_SRC)/thermophysicalModels/chemistryModel/lnInclude \
+    -I$(LIB_SRC)/thermophysicalModels/radiationModels/lnInclude \
+    -I$(LIB_SRC)/regionModels/regionModel/lnInclude \
+    -I$(LIB_SRC)/regionModels/surfaceFilmModels/lnInclude \
+    -I$(LIB_SRC)/ODE/lnInclude \
+    -I$(LIB_SRC)/combustionModels/lnInclude \
+    -I$(FOAM_SOLVERS)/combustion/reactingFoam \
+
+
+
+
+EXE_LIBS = \
+    -L$(CFDEM_LIB_DIR)  \
+    -lfiniteVolume \
+    -lmeshTools \
+    -lturbulenceModels \
+    -lcompressibleTurbulenceModels \
+    -lcompressibleTransportModels \
+    -lfluidThermophysicalModels \
+    -lspecie \
+    -lsampling \
+    -lfvOptions \
+    -l$(CFDEM_LIB_COMP_NAME) \
+     $(CFDEM_ADD_LIB_PATHS) \
+     $(CFDEM_ADD_LIBS) \
+    -lliquidProperties \
+    -lliquidMixtureProperties \
+    -lthermophysicalFunctions \
+    -lreactionThermophysicalModels \
+    -lchemistryModel \
+    -lradiationModels \
+    -lregionModels \
+    -lsurfaceFilmModels \
+    -lODE \
+    -lcombustionModels

applications/solvers/cfdemSolverRhoPimpleChem/UEqn.H

@@ -0,0 +1,31 @@
+// Solve the Momentum equation
+tmp<fvVectorMatrix> tUEqn
+
+(
+    fvm::ddt(rhoeps,U) + fvm::div(phi, U)
+   + particleCloud.divVoidfractionTau(U, voidfraction)
+   + fvm::Sp(Ksl,U)
+ ==
+    fvOptions(rho, U)
+);
+fvVectorMatrix& UEqn = tUEqn.ref();
+
+UEqn.relax();
+
+fvOptions.constrain(UEqn);
+
+if (pimple.momentumPredictor() && (modelType=="B" || modelType=="Bfull"))
+{
+    solve(UEqn == -fvc::grad(p)+ Ksl*Us);
+
+    fvOptions.correct(U);
+    K = 0.5*magSqr(U);
+}
+else if (pimple.momentumPredictor())
+{
+    solve(UEqn == -voidfraction*fvc::grad(p)+ Ksl*Us);
+
+    fvOptions.correct(U);
+    K = 0.5*magSqr(U);
+}
+

applications/solvers/cfdemSolverRhoPimpleChem/YEqn.H

@@ -0,0 +1,75 @@
+particleCloud.clockM().start(29,"Y");
+
+tmp<fv::convectionScheme<scalar> > mvConvection
+(
+    fv::convectionScheme<scalar>::New
+    (
+        mesh,
+        fields,
+        phi,
+        mesh.divScheme("div(phi,Yi_h)")
+    )
+);
+
+{
+    combustion->correct();
+    dQ = combustion->dQ();
+    label inertIndex = -1;
+    volScalarField Yt(0.0*Y[0]);
+
+    forAll(Y, i)
+    {
+        if (Y[i].name() == inertSpecie) inertIndex = i;
+        if (Y[i].name() != inertSpecie || propagateInertSpecie)
+        {
+            volScalarField& Yi = Y[i];
+
+            fvScalarMatrix YiEqn
+            (
+                fvm::ddt(rhoeps, Yi)
+              + mvConvection->fvmDiv(phi, Yi)
+              - fvm::laplacian(voidfraction*turbulence->muEff(), Yi)
+              ==
+               combustion->R(Yi)
+              + particleCloud.chemistryM(0).Smi(i)
+              + fvOptions(rho, Yi)
+            );
+
+            YiEqn.relax();
+
+            fvOptions.constrain(YiEqn);
+
+            YiEqn.solve(mesh.solver("Yi"));
+
+            fvOptions.correct(Yi);
+
+            Yi.max(0.0);
+            if (Y[i].name() != inertSpecie) Yt += Yi;
+        }
+    }
+
+    if (inertIndex!=-1)
+    {
+        Y[inertIndex].max(inertLowerBound);
+        Y[inertIndex].min(inertUpperBound);
+    }
+
+    if (propagateInertSpecie)
+    {
+        if (inertIndex!=-1) Yt /= (1-Y[inertIndex] + VSMALL);
+        forAll(Y,i)
+        {
+            if (i!=inertIndex)
+            {
+                volScalarField& Yi = Y[i];
+                Yi = Yi/(Yt+VSMALL);
+            }
+        }
+    }
+    else
+    {
+        Y[inertIndex] = scalar(1) - Yt;
+        Y[inertIndex].max(0.0);
+    }
+}
+particleCloud.clockM().stop("Y");

applications/solvers/cfdemSolverRhoPimpleChem/cfdemSolverRhoPimpleChem.C

@@ -0,0 +1,169 @@
+/*---------------------------------------------------------------------------*\
+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
+
+Application
+    cfdemSolverRhoPimpleChem
+
+Description
+    Transient solver for compressible flow using the flexible PIMPLE (PISO-SIMPLE)
+    algorithm.
+    Turbulence modelling is generic, i.e. laminar, RAS or LES may be selected.
+    The code is an evolution of the solver rhoPimpleFoam in OpenFOAM(R) 2.3,
+    where additional functionality for CFD-DEM coupling is added.
+\*---------------------------------------------------------------------------*/
+
+
+#include "fvCFD.H"
+#include "turbulentFluidThermoModel.H"
+#include "rhoCombustionModel.H"
+#include "bound.H"
+#include "pimpleControl.H"
+#include "fvOptions.H"
+#include "localEulerDdtScheme.H"
+#include "fvcSmooth.H"
+
+
+#include "cfdemCloudEnergy.H"
+#include "implicitCouple.H"
+#include "clockModel.H"
+#include "smoothingModel.H"
+#include "forceModel.H"
+#include "thermCondModel.H"
+#include "energyModel.H"
+#include "chemistryModel.H"
+
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+int main(int argc, char *argv[])
+{
+//    #include "postProcess.H"
+    #include "setRootCase.H"
+    #include "createTime.H"
+    #include "createMesh.H"
+    #include "createControl.H"
+    #include "createTimeControls.H"
+    #include "createRDeltaT.H"
+
+    #include "createFields.H"
+    #include "createFieldRefs.H"
+    #include "createFvOptions.H"
+    #include "initContinuityErrs.H"
+
+    // create cfdemCloud
+    #include "readGravitationalAcceleration.H"
+    cfdemCloudEnergy particleCloud(mesh);
+    #include "checkModelType.H"
+
+    turbulence->validate();
+
+    // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+    Info<< "\nStarting time loop\n" << endl;
+
+    scalar m(0.0);
+    scalar m0(0.0);
+    label counter(0);
+
+    while (runTime.run())
+    {
+        #include "readTimeControls.H"
+        #include "compressibleCourantNo.H"
+        #include "setDeltaT.H"
+
+        runTime++;
+
+        particleCloud.clockM().start(1,"Global");
+
+        Info<< "Time = " << runTime.timeName() << nl << endl;
+
+        // do particle stuff
+        particleCloud.clockM().start(2,"Coupling");
+        bool hasEvolved = particleCloud.evolve(voidfraction,Us,U);
+
+        if(hasEvolved)
+        {
+            particleCloud.smoothingM().smoothen(particleCloud.forceM(0).impParticleForces());
+        }
+
+        Info << "update Ksl.internalField()" << endl;
+        Ksl = particleCloud.momCoupleM(0).impMomSource();
+        Ksl.correctBoundaryConditions();
+
+       //Force Checks
+       vector fTotal(0,0,0);
+       vector fImpTotal = sum(mesh.V()*Ksl.primitiveFieldRef()*(Us.primitiveFieldRef()-U.primitiveFieldRef()));
+       reduce(fImpTotal, sumOp<vector>());
+       Info << "TotalForceExp: " << fTotal << endl;
+       Info << "TotalForceImp: " << fImpTotal << endl;
+
+       #include "solverDebugInfo.H"
+       particleCloud.clockM().stop("Coupling");
+
+       particleCloud.clockM().start(26,"Flow");
+
+        if (pimple.nCorrPIMPLE() <= 1)
+        {
+            #include "rhoEqn.H"
+        }
+
+        rhoeps = rho * voidfraction;
+        // --- Pressure-velocity PIMPLE corrector loop
+        while (pimple.loop())
+        {
+            #include "UEqn.H"
+            #include "YEqn.H"
+            #include "EEqn.H"
+
+            // --- Pressure corrector loop
+            while (pimple.correct())
+            {
+                #include "molConc.H"
+                #include "pEqn.H"
+            }
+
+            if (pimple.turbCorr())
+            {
+                turbulence->correct();
+            }
+        }
+
+        #include "monitorMass.H"
+
+        particleCloud.clockM().start(31,"postFlow");
+        particleCloud.postFlow();
+        particleCloud.clockM().stop("postFlow");
+
+        runTime.write();
+
+
+        Info<< "ExecutionTime = " << runTime.elapsedCpuTime() << " s"
+            << "  ClockTime = " << runTime.elapsedClockTime() << " s"
+            << nl << endl;
+
+        particleCloud.clockM().stop("Flow");
+        particleCloud.clockM().stop("Global");
+    }
+
+    Info<< "End\n" << endl;
+
+    return 0;
+}
+
+
+// ************************************************************************* //

applications/solvers/cfdemSolverRhoPimpleChem/createFieldRefs.H

@@ -0,0 +1,2 @@
+const volScalarField& T = thermo.T();
+const volScalarField& psi = thermo.psi();

applications/solvers/cfdemSolverRhoPimpleChem/createFields.H

@@ -0,0 +1,290 @@
+    //  thermodynamics, chemistry
+
+    Info<< "Creating combustion model\n" << endl;
+
+    autoPtr<combustionModels::rhoCombustionModel> combustion
+    (
+        combustionModels::rhoCombustionModel::New(mesh)
+    );
+
+    rhoReactionThermo& thermo = combustion->thermo();
+
+    thermo.validate(args.executable(), "h", "e");
+
+    basicSpecieMixture& composition = thermo.composition();
+    PtrList<volScalarField>& Y = composition.Y();
+
+    // read molecular weight
+    volScalarField W(composition.W());
+
+    bool propagateInertSpecie = true;
+
+    const word inertSpecie(thermo.lookup("inertSpecie"));
+
+    const scalar inertLowerBound(thermo.lookupOrDefault<scalar>("inertLowerBound",0.0));
+
+    const scalar inertUpperBound(thermo.lookupOrDefault<scalar>("inertUpperBound",1.0));
+
+    if (!composition.contains(inertSpecie))
+    {
+        FatalErrorIn(args.executable())
+            << "Specified inert specie '" << inertSpecie << "' not found in "
+            << "species list. Available species:" << composition.species()
+            << exit(FatalError);
+    }
+
+    volScalarField& p = thermo.p();
+
+    multivariateSurfaceInterpolationScheme<scalar>::fieldTable fields;
+
+    forAll(Y, i)
+    {
+        fields.add(Y[i]);
+    }
+    fields.add(thermo.he());
+
+    volScalarField rho
+    (
+        IOobject
+        (
+            "rho",
+            runTime.timeName(),
+            mesh,
+            IOobject::NO_READ,
+            IOobject::AUTO_WRITE
+        ),
+        thermo.rho()
+    );
+
+    //  kinematic fields
+
+
+
+    Info<< "Reading field U\n" << endl;
+    volVectorField U
+    (
+        IOobject
+        (
+            "U",
+            runTime.timeName(),
+            mesh,
+            IOobject::MUST_READ,
+            IOobject::AUTO_WRITE
+        ),
+        mesh
+    );
+
+    Info<< "\nReading voidfraction field voidfraction = (Vgas/Vparticle)\n" << endl;
+    volScalarField voidfraction
+    (
+        IOobject
+        (
+            "voidfraction",
+            runTime.timeName(),
+            mesh,
+            IOobject::MUST_READ,
+            IOobject::AUTO_WRITE
+        ),
+        mesh
+    );
+
+    volScalarField rhoeps
+    (
+        IOobject
+        (
+            "rhoeps",
+            runTime.timeName(),
+            mesh,
+            IOobject::MUST_READ,
+            IOobject::AUTO_WRITE
+        ),
+        rho*voidfraction
+    );
+
+    Info<< "\nCreating fluid-particle heat flux field\n" << endl;
+    volScalarField Qsource
+    (
+        IOobject
+        (
+            "Qsource",
+            runTime.timeName(),
+            mesh,
+            IOobject::NO_READ,
+            IOobject::AUTO_WRITE
+        ),
+        mesh,
+        dimensionedScalar("zero", dimensionSet(1,-1,-3,0,0,0,0), 0.0)
+    );
+
+    Info<< "\nCreating fluid-particle heat flux coefficient field\n" << endl;
+    volScalarField QCoeff
+    (
+        IOobject
+        (
+            "QCoeff",
+            runTime.timeName(),
+            mesh,
+            IOobject::NO_READ,
+            IOobject::AUTO_WRITE
+        ),
+        mesh,
+        dimensionedScalar("zero", dimensionSet(1,-1,-3,-1,0,0,0), 0.0)
+    );
+
+    Info<< "\nCreating thermal conductivity field\n" << endl;
+    volScalarField thCond
+    (
+        IOobject
+        (
+            "thCond",
+            runTime.timeName(),
+            mesh,
+            IOobject::NO_READ,
+            IOobject::AUTO_WRITE
+        ),
+        mesh,
+        dimensionedScalar("zero", dimensionSet(1,1,-3,-1,0,0,0), 0.0)
+    );
+
+    Info<< "\nCreating heat capacity field\n" << endl;
+    volScalarField Cpv
+    (
+        IOobject
+        (
+            "Cpv",
+            runTime.timeName(),
+            mesh,
+            IOobject::NO_READ,
+            IOobject::AUTO_WRITE
+        ),
+        mesh,
+        dimensionedScalar("zero", dimensionSet(0,2,-2,-1,0,0,0), 0.0)
+    );
+
+    Info<< "Reading/calculating face flux field phi\n" << endl;
+    surfaceScalarField phi
+    (
+        IOobject
+        (
+            "phi",
+            runTime.timeName(),
+             mesh,
+            IOobject::READ_IF_PRESENT,
+            IOobject::AUTO_WRITE
+         ),
+         linearInterpolate(rho*U*voidfraction) & mesh.Sf()
+    );
+
+    dimensionedScalar rhoMax
+    (
+        dimensionedScalar::lookupOrDefault
+        (
+            "rhoMax",
+            pimple.dict(),
+            dimDensity,
+            GREAT
+        )
+    );
+
+    dimensionedScalar rhoMin
+    (
+        dimensionedScalar::lookupOrDefault
+        (
+            "rhoMin",
+            pimple.dict(),
+            dimDensity,
+            0
+        )
+    );
+
+    Info<< "Creating turbulence model\n" << endl;
+    autoPtr<compressible::turbulenceModel> turbulence
+    (
+        compressible::turbulenceModel::New
+        (
+            rho,
+            U,
+            phi,
+            thermo
+        )
+    );
+
+    Info<< "Creating field dpdt\n" << endl;
+    volScalarField dpdt
+    (
+        IOobject
+        (
+            "dpdt",
+            runTime.timeName(),
+            mesh
+        ),
+        mesh,
+        dimensionedScalar("dpdt", p.dimensions()/dimTime, 0)
+    );
+
+    Info<< "Creating field kinetic energy K\n" << endl;
+    volScalarField K("K", 0.5*magSqr(U));
+
+    volScalarField dQ
+    (
+        IOobject
+        (
+            "dQ",
+            runTime.timeName(),
+            mesh,
+            IOobject::NO_READ,
+            IOobject::AUTO_WRITE
+        ),
+        mesh,
+        dimensionedScalar("dQ", dimEnergy/dimTime, 0.0)
+    );
+
+    Info<< "\nReading momentum exchange field Ksl\n" << endl;
+    volScalarField Ksl
+    (
+        IOobject
+        (
+            "Ksl",
+            runTime.timeName(),
+            mesh,
+            IOobject::MUST_READ,
+            IOobject::AUTO_WRITE
+        ),
+        mesh
+        //dimensionedScalar("0", dimensionSet(1, -3, -1, 0, 0), 1.0)
+    );
+
+
+    Info<< "Reading particle velocity field Us\n" << endl;
+    volVectorField Us
+    (
+        IOobject
+        (
+            "Us",
+            runTime.timeName(),
+            mesh,
+            IOobject::MUST_READ,
+            IOobject::AUTO_WRITE
+        ),
+        mesh
+    );
+
+    volScalarField molarConc
+    (
+        IOobject
+        (
+            "molarConc",
+            runTime.timeName(),
+            mesh,
+            IOobject::NO_READ,
+            IOobject::AUTO_WRITE
+        ),
+        mesh,
+        dimensionedScalar("zero",dimensionSet(0, -3, 0, 0, 1),0)
+    );
+//===============================
+
+
+
+ //   singlePhaseTransportModel laminarTransport(U, phi);
+

applications/solvers/cfdemSolverRhoPimpleChem/debugYEqn.H

@@ -0,0 +1,27 @@
+{
+            volScalarField artMass = rhoeps;
+            scalar lowestValue(0.0);
+            label lVCell(-1);
+            forAll(Yi,cellI)
+            {
+                if(Yi[cellI] < 0.0)
+                {
+                   artMass[cellI] *= Yi[cellI];
+                   if(artMass[cellI] < lowestValue)
+                   {
+                       lowestValue=artMass[cellI];
+                       lVCell = cellI;
+                   }
+                }
+                else
+                {
+                    artMass[cellI] *=0.0;
+                }
+            }
+            Info << "\nartificial mass of species " << Y[i].name() << " per time step: "<< fvc::domainIntegrate(artMass) << endl;
+            if(lVCell > -1)
+            {
+                Pout << Y[i].name() << ": time / lowest value " << runTime.timeName() << "\t" << lowestValue << "\n\tat cell " << lVCell << " with coordinates";
+                Pout << "\t" << mesh.C()[lVCell].component(0) << "\t" << mesh.C()[lVCell].component(1)  << "\t" << mesh.C()[lVCell].component(2) << endl;
+            }
+}

applications/solvers/cfdemSolverRhoPimpleChem/molConc.H

@@ -0,0 +1,12 @@
+{
+    molarConc = 0.0 * molarConc;
+    forAll(Y, i)
+    {
+        volScalarField& Yi = Y[i];
+        dimensionedScalar mi("mi",dimensionSet(1, 0, 0, 0, -1),composition.W(i));
+        mi /= 1000.0; // g to kg
+        molarConc += rho * Yi / mi;
+    }
+}
+
+// ************************************************************************* //

applications/solvers/cfdemSolverRhoPimpleChem/monitorMass.H

@@ -0,0 +1,7 @@
+{
+    m=gSum(rhoeps*1.0*rhoeps.mesh().V());
+    if(counter==0) m0=m;
+    counter++;
+    Info << "\ncurrent gas mass = " << m << "\n" << endl;
+    Info << "\ncurrent added gas mass = " << m-m0 << "\n" << endl;
+}

applications/solvers/cfdemSolverRhoPimpleChem/pEqn.H

@@ -0,0 +1,97 @@
+rho = thermo.rho();
+rho = max(rho, rhoMin);
+rho = min(rho, rhoMax);
+rho.relax();
+
+volScalarField rAU(1.0/UEqn.A());
+surfaceScalarField rhorAUf("rhorAUf", fvc::interpolate(rhoeps*rAU));
+if (modelType=="A")
+{
+    rhorAUf *= fvc::interpolate(voidfraction);
+}
+volVectorField HbyA(constrainHbyA(rAU*UEqn.H(), U, p));
+
+surfaceScalarField phiUs("phiUs", fvc::interpolate(rhoeps*rAU*Ksl*Us)& mesh.Sf());
+
+if (pimple.nCorrPISO() <= 1)
+{
+    tUEqn.clear();
+}
+
+if (pimple.transonic())
+{
+//  transonic version not implemented yet
+}
+else
+{
+    surfaceScalarField phiHbyA
+    (
+        "phiHbyA",
+        (
+            fvc::flux(rhoeps*HbyA)
+    //      + rhorAUf*fvc::ddtCorr(rho, U, phi)
+        )
+    );
+
+    // flux without pressure gradient contribution
+    phi = phiHbyA + phiUs;
+
+    // Update the pressure BCs to ensure flux consistency
+    constrainPressure(p, rhoeps, U, phi, rhorAUf);
+
+    volScalarField SmbyP(particleCloud.chemistryM(0).Sm() / p);
+
+    while (pimple.correctNonOrthogonal())
+    {
+        // Pressure corrector
+        fvScalarMatrix pEqn
+        (
+          fvm::ddt(voidfraction, psi, p)
+          + fvc::div(phi)
+          - fvm::laplacian(rhorAUf, p)
+          ==
+            fvm::Sp(SmbyP, p)
+          + fvOptions(psi, p, rho.name())
+        );
+
+        pEqn.solve(mesh.solver(p.select(pimple.finalInnerIter())));
+
+        if (pimple.finalNonOrthogonalIter())
+        {
+            phi += pEqn.flux();
+        }
+    }
+}
+
+#include "rhoEqn.H"
+#include "compressibleContinuityErrsPU.H"
+
+// Explicitly relax pressure for momentum corrector
+p.relax();
+
+// Recalculate density from the relaxed pressure
+rho = thermo.rho();
+rho = max(rho, rhoMin);
+rho = min(rho, rhoMax);
+rho.relax();
+Info<< "rho max/min : " << max(rho).value()
+    << " " << min(rho).value() << endl;
+
+rhoeps = rho * voidfraction;
+
+if (modelType=="A")
+{
+    U = HbyA - rAU*(voidfraction*fvc::grad(p)-Ksl*Us);
+}
+else
+{
+    U = HbyA - rAU*(fvc::grad(p)-Ksl*Us);
+}
+U.correctBoundaryConditions();
+fvOptions.correct(U);
+K = 0.5*magSqr(U);
+
+if (thermo.dpdt())
+{
+    dpdt = fvc::ddt(voidfraction,p);
+}

applications/solvers/cfdemSolverRhoPimpleChem/pEqn_alternative.H

@@ -0,0 +1,109 @@
+rho = thermo.rho();
+rho = max(rho, rhoMin);
+rho = min(rho, rhoMax);
+rho.relax();
+
+rhoeps = rho * voidfraction;
+
+// Thermodynamic density needs to be updated by psi*d(p) after the
+// pressure solution - done in 2 parts. Part 1:
+thermo.rho() -= psi*p;
+
+volScalarField rAU(1.0/UEqn.A());
+surfaceScalarField rhorAUf("rhorAUf", fvc::interpolate(rhoeps*rAU));
+if (modelType=="A")
+{
+    rhorAUf *= fvc::interpolate(voidfraction);
+}
+volVectorField HbyA(constrainHbyA(rAU*UEqn.H(), U, p));
+
+surfaceScalarField phiUs("phiUs", fvc::interpolate(rhoeps*rAU*Ksl*Us)& mesh.Sf());
+
+if (pimple.nCorrPISO() <= 1)
+{
+    tUEqn.clear();
+}
+
+if (pimple.transonic())
+{
+//  transonic version not implemented yet
+}
+else
+{
+    surfaceScalarField phiHbyA
+    (
+        "phiHbyA",
+        (
+            fvc::flux(rhoeps*HbyA)
+    //      + rhorAUf*fvc::ddtCorr(rho, U, phi)
+        )
+    );
+
+    // flux without pressure gradient contribution
+    phi = phiHbyA + phiUs;
+
+    // Update the pressure BCs to ensure flux consistency
+    constrainPressure(p, rhoeps, U, phi, rhorAUf);
+
+    volScalarField SmbyP(particleCloud.chemistryM(0).Sm() / p);
+    while (pimple.correctNonOrthogonal())
+    {
+        // Pressure corrector
+        fvScalarMatrix pEqn
+        (
+         //   fvm::ddt(psi*voidfraction, p)
+          fvc::ddt(rhoeps) + psi*correction(fvm::ddt(voidfraction,p))
+          + fvc::div(phi)
+          - fvm::laplacian(rhorAUf, p)
+          ==
+     //      particleCloud.chemistryM(0).Sm()
+            fvm::Sp(SmbyP, p)
+          + fvOptions(psi, p, rho.name())
+
+        );
+
+        pEqn.solve(mesh.solver(p.select(pimple.finalInnerIter())));
+
+        if (pimple.finalNonOrthogonalIter())
+        {
+            phi += pEqn.flux();
+        }
+    }
+}
+
+#include "rhoEqn.H"
+#include "compressibleContinuityErrsPU.H"
+
+// Explicitly relax pressure for momentum corrector
+p.relax();
+// Second part of thermodynamic density update
+thermo.rho() += psi*p;
+
+// Recalculate density from the relaxed pressure
+rho = thermo.rho();
+
+rho = max(rho, rhoMin);
+rho = min(rho, rhoMax);
+rho.relax();
+
+rhoeps = rho * voidfraction;
+
+Info<< "rho max/min : " << max(rho).value()
+    << " " << min(rho).value() << endl;
+
+if (modelType=="A")
+{
+    U = HbyA - rAU*(voidfraction*fvc::grad(p)-Ksl*Us);
+}
+else
+{
+    U = HbyA - rAU*(fvc::grad(p)-Ksl*Us);
+}
+U.correctBoundaryConditions();
+fvOptions.correct(U);
+K = 0.5*magSqr(U);
+
+if (thermo.dpdt())
+{
+    dpdt = fvc::ddt(voidfraction,p);
+}

applications/solvers/cfdemSolverRhoPimpleChem/rhoEqn.H

@@ -0,0 +1,18 @@
+{
+    fvScalarMatrix rhoEqn
+    (
+        fvm::ddt(voidfraction,rho)
+      + fvc::div(phi)
+      ==
+        particleCloud.chemistryM(0).Sm()
+      + fvOptions(rho)
+    );
+
+    fvOptions.constrain(rhoEqn);
+
+    rhoEqn.solve();
+
+    fvOptions.correct(rho);
+}
+
+// ************************************************************************* //

applications/solvers/cfdemSolverRhoSimple/EEqn.H

@@ -0,0 +1,60 @@
+// contributions to internal energy equation can be found in
+// Crowe et al.: "Multiphase flows with droplets and particles", CRC Press 1998
+{
+    // dim he = J / kg
+    volScalarField& he = thermo.he();
+    particleCloud.energyContributions(Qsource);
+    particleCloud.energyCoefficients(QCoeff);
+
+    //thDiff=particleCloud.thermCondM().thermDiff();
+    thCond=particleCloud.thermCondM().thermCond();
+
+    addSource =
+        (
+            he.name() == "e"
+          ?
+            fvc::div(phi, K) +
+            fvc::div
+            (
+                fvc::absolute(phi/fvc::interpolate(rho), voidfraction*U),
+                p,
+                "div(phiv,p)"
+            )
+          : fvc::div(phi, K)
+        );
+
+    Cpv = he.name() == "e" ? thermo.Cv() : thermo.Cp();
+
+    // correct source for the thermodynamic reference temperature
+    dimensionedScalar Tref("Tref", dimTemperature, T[0]-he[0]/(Cpv[0]+SMALL));
+    Qsource += QCoeff*Tref;
+
+    fvScalarMatrix EEqn
+    (
+        fvm::div(phi, he)
+      + addSource
+      - Qsource
+      - fvm::Sp(QCoeff/Cpv, he)
+      - fvm::laplacian(voidfraction*thCond/Cpv,he)
+     ==
+        fvOptions(rho, he)
+    );
+
+
+    EEqn.relax();
+
+    fvOptions.constrain(EEqn);
+
+    EEqn.solve();
+
+    fvOptions.correct(he);
+
+    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/cfdemSolverRhoSimple/Make/files

@@ -0,0 +1,3 @@
+cfdemSolverRhoSimple.C
+
+EXE=$(CFDEM_APP_DIR)/cfdemSolverRhoSimple

applications/solvers/cfdemSolverRhoSimple/Make/options

@@ -0,0 +1,32 @@
+include $(CFDEM_ADD_LIBS_DIR)/additionalLibs
+
+PFLAGS+= -Dcompre
+
+EXE_INC = \
+     $(PFLAGS) \
+    -I$(CFDEM_OFVERSION_DIR) \
+    -I$(LIB_SRC)/transportModels/compressible/lnInclude \
+    -I$(LIB_SRC)/thermophysicalModels/basic/lnInclude \
+    -I$(LIB_SRC)/TurbulenceModels/turbulenceModels/lnInclude \
+    -I$(LIB_SRC)/TurbulenceModels/compressible/lnInclude \
+    -I$(LIB_SRC)/finiteVolume/cfdTools \
+    -I$(LIB_SRC)/finiteVolume/lnInclude \
+    -I$(LIB_SRC)/meshTools/lnInclude \
+    -I$(LIB_SRC)/sampling/lnInclude \
+    -I$(CFDEM_SRC_DIR)/lagrangian/cfdemParticle/lnInclude \
+    -I$(CFDEM_SRC_DIR)/lagrangian/cfdemParticle/cfdTools \
+
+EXE_LIBS = \
+    -L$(CFDEM_LIB_DIR)\
+    -lcompressibleTransportModels \
+    -lfluidThermophysicalModels \
+    -lspecie \
+    -lturbulenceModels \
+    -lcompressibleTurbulenceModels \
+    -lfiniteVolume \
+    -lmeshTools \
+    -lsampling \
+    -lfvOptions \
+    -l$(CFDEM_LIB_COMP_NAME) \
+     $(CFDEM_ADD_LIB_PATHS) \
+     $(CFDEM_ADD_LIBS)

applications/solvers/cfdemSolverRhoSimple/UEqn.H

@@ -0,0 +1,30 @@
+// Solve the Momentum equation
+particleCloud.otherForces(fOther);
+
+tmp<fvVectorMatrix> tUEqn
+(
+    fvm::div(phi, U)
+  + particleCloud.divVoidfractionTau(U, voidfraction)
+  + fvm::Sp(Ksl,U)
+  - fOther
+ ==
+    fvOptions(rho, U)
+);
+fvVectorMatrix& UEqn = tUEqn.ref();
+
+UEqn.relax();
+
+fvOptions.constrain(UEqn);
+
+if (modelType=="B" || modelType=="Bfull")
+{
+    solve(UEqn == -fvc::grad(p)+ Ksl*Us);
+}
+else
+{
+    solve(UEqn == -voidfraction*fvc::grad(p)+ Ksl*Us);
+}
+
+fvOptions.correct(U);
+
+K = 0.5*magSqr(U);

applications/solvers/cfdemSolverRhoSimple/cfdemSolverRhoSimple.C

@@ -0,0 +1,140 @@
+/*---------------------------------------------------------------------------*\
+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
+
+Application
+    cfdemSolverRhoSimple
+
+Description
+    Steady-state solver for turbulent flow of compressible fluids based on
+    rhoSimpleFoam where functionality for CFD-DEM coupling has been added.
+
+\*---------------------------------------------------------------------------*/
+
+#include "fvCFD.H"
+#include "psiThermo.H"
+#include "turbulentFluidThermoModel.H"
+#include "bound.H"
+#include "simpleControl.H"
+#include "fvOptions.H"
+#include "localEulerDdtScheme.H"
+#include "fvcSmooth.H"
+
+#include "cfdemCloudEnergy.H"
+#include "implicitCouple.H"
+#include "clockModel.H"
+#include "smoothingModel.H"
+#include "forceModel.H"
+#include "thermCondModel.H"
+#include "energyModel.H"
+
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+int main(int argc, char *argv[])
+{
+    #include "postProcess.H"
+
+    #include "setRootCase.H"
+    #include "createTime.H"
+    #include "createMesh.H"
+    #include "createControl.H"
+    #include "createTimeControls.H"
+    #include "createRDeltaT.H"
+    #include "initContinuityErrs.H"
+    #include "createFields.H"
+    #include "createFieldRefs.H"
+    #include "createFvOptions.H"
+
+    // create cfdemCloud
+    #include "readGravitationalAcceleration.H"
+    cfdemCloudEnergy particleCloud(mesh);
+    #include "checkModelType.H"
+
+    turbulence->validate();
+
+    // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+    Info<< "\nStarting time loop\n" << endl;
+
+    while (simple.loop())
+    {
+        particleCloud.clockM().start(1,"Global");
+
+        Info<< "Time = " << runTime.timeName() << nl << endl;
+
+        // do particle stuff
+        particleCloud.clockM().start(2,"Coupling");
+        bool hasEvolved = particleCloud.evolve(voidfraction,Us,U);
+
+        if(hasEvolved)
+        {
+            particleCloud.smoothingM().smoothen(particleCloud.forceM(0).impParticleForces());
+        }
+
+        Info << "update Ksl.internalField()" << endl;
+        Ksl = particleCloud.momCoupleM(0).impMomSource();
+        Ksl.correctBoundaryConditions();
+
+        //Force Checks
+        vector fTotal(0,0,0);
+        vector fImpTotal = sum(mesh.V()*Ksl.primitiveFieldRef()*(Us.primitiveFieldRef()-U.primitiveFieldRef()));
+        reduce(fImpTotal, sumOp<vector>());
+        Info << "TotalForceExp: " << fTotal << endl;
+        Info << "TotalForceImp: " << fImpTotal << endl;
+
+        #include "solverDebugInfo.H"
+        particleCloud.clockM().stop("Coupling");
+
+        particleCloud.clockM().start(26,"Flow");
+
+        volScalarField rhoeps("rhoeps",rho*voidfraction);
+        // Pressure-velocity SIMPLE corrector
+
+        #include "UEqn.H"
+
+
+        // besides this pEqn, OF offers a "simple consistent"-option
+        #include "pEqn.H"
+        rhoeps=rho*voidfraction;
+
+        #include "EEqn.H"
+
+        turbulence->correct();
+
+        particleCloud.clockM().start(32,"postFlow");
+        if(hasEvolved) particleCloud.postFlow();
+        particleCloud.clockM().stop("postFlow");
+
+        runTime.write();
+
+
+        Info<< "ExecutionTime = " << runTime.elapsedCpuTime() << " s"
+            << "  ClockTime = " << runTime.elapsedClockTime() << " s"
+            << nl << endl;
+
+        particleCloud.clockM().stop("Flow");
+        particleCloud.clockM().stop("Global");
+    }
+
+    Info<< "End\n" << endl;
+
+    return 0;
+}
+
+
+// ************************************************************************* //

applications/solvers/cfdemSolverRhoSimple/createFieldRefs.H

@@ -0,0 +1,2 @@
+const volScalarField& T = thermo.T();
+const volScalarField& psi = thermo.psi();

applications/solvers/cfdemSolverRhoSimple/createFields.H

@@ -0,0 +1,242 @@
+Info<< "Reading thermophysical properties\n" << endl;
+
+    autoPtr<psiThermo> pThermo
+    (
+        psiThermo::New(mesh)
+    );
+    psiThermo& thermo = pThermo();
+    thermo.validate(args.executable(), "h", "e");
+    volScalarField& p = thermo.p();
+
+    Info<< "Reading field rho\n" << endl;
+    volScalarField rho
+    (
+        IOobject
+        (
+            "rho",
+            runTime.timeName(),
+            mesh,
+            IOobject::READ_IF_PRESENT,
+            IOobject::AUTO_WRITE
+        ),
+        thermo.rho()
+    );
+
+
+    Info<< "Reading field U\n" << endl;
+    volVectorField U
+    (
+        IOobject
+        (
+            "U",
+            runTime.timeName(),
+            mesh,
+            IOobject::MUST_READ,
+            IOobject::AUTO_WRITE
+        ),
+        mesh
+    );
+
+    Info<< "\nReading voidfraction field voidfraction = (Vgas/Vparticle)\n" << endl;
+    volScalarField voidfraction
+    (
+        IOobject
+        (
+            "voidfraction",
+            runTime.timeName(),
+            mesh,
+            IOobject::MUST_READ,
+            IOobject::AUTO_WRITE
+        ),
+        mesh
+    );
+
+    volScalarField addSource
+    (
+        IOobject
+        (
+           "addSource",
+           runTime.timeName(),
+           mesh,
+           IOobject::MUST_READ,
+           IOobject::AUTO_WRITE
+        ),
+        mesh
+    );
+
+    Info<< "\nCreating fluid-particle heat flux field\n" << endl;
+    volScalarField Qsource
+    (
+        IOobject
+        (
+            "Qsource",
+            runTime.timeName(),
+            mesh,
+            IOobject::NO_READ,
+            IOobject::AUTO_WRITE
+        ),
+        mesh,
+        dimensionedScalar("zero", dimensionSet(1,-1,-3,0,0,0,0), 0.0)
+    );
+
+    Info<< "\nCreating fluid-particle heat flux coefficient field\n" << endl;
+    volScalarField QCoeff
+    (
+        IOobject
+        (
+            "QCoeff",
+            runTime.timeName(),
+            mesh,
+            IOobject::NO_READ,
+            IOobject::AUTO_WRITE
+        ),
+        mesh,
+        dimensionedScalar("zero", dimensionSet(1,-1,-3,-1,0,0,0), 0.0)
+    );
+
+    Info<< "\nCreating thermal conductivity field\n" << endl;
+    volScalarField thCond
+    (
+        IOobject
+        (
+            "thCond",
+            runTime.timeName(),
+            mesh,
+            IOobject::NO_READ,
+            IOobject::AUTO_WRITE
+        ),
+        mesh,
+        dimensionedScalar("zero", dimensionSet(1,1,-3,-1,0,0,0), 0.0)
+    );
+
+    Info<< "\nCreating heat capacity field\n" << endl;
+    volScalarField Cpv
+    (
+        IOobject
+        (
+            "Cpv",
+            runTime.timeName(),
+            mesh,
+            IOobject::NO_READ,
+            IOobject::AUTO_WRITE
+        ),
+        mesh,
+        dimensionedScalar("zero", dimensionSet(0,2,-2,-1,0,0,0), 0.0)
+    );
+
+    Info<< "\nCreating body force field\n" << endl;
+    volVectorField fOther
+    (
+        IOobject
+        (
+            "fOther",
+            runTime.timeName(),
+            mesh,
+            IOobject::NO_READ,
+            IOobject::NO_WRITE
+        ),
+        mesh,
+        dimensionedVector("zero", dimensionSet(1,-2,-2,0,0,0,0), vector::zero)
+    );
+
+    Info<< "Reading/calculating face flux field phi\n" << endl;
+    surfaceScalarField phi
+    (
+        IOobject
+        (
+            "phi",
+            runTime.timeName(),
+            mesh,
+            IOobject::READ_IF_PRESENT,
+            IOobject::AUTO_WRITE
+         ),
+         linearInterpolate(rho*U*voidfraction) & mesh.Sf()
+    );
+
+    dimensionedScalar rhoMax
+    (
+        dimensionedScalar::lookupOrDefault
+        (
+            "rhoMax",
+            simple.dict(),
+            dimDensity,
+            GREAT
+        )
+    );
+
+    dimensionedScalar rhoMin
+    (
+        dimensionedScalar::lookupOrDefault
+        (
+            "rhoMin",
+            simple.dict(),
+            dimDensity,
+            0
+        )
+    );
+
+    Info<< "Creating turbulence model\n" << endl;
+    autoPtr<compressible::turbulenceModel> turbulence
+    (
+        compressible::turbulenceModel::New
+        (
+            rho,
+            U,
+            phi,
+            thermo
+        )
+    );
+
+    label pRefCell = 0;
+    scalar pRefValue = 0.0;
+    setRefCell(p, simple.dict(), pRefCell, pRefValue);
+
+    mesh.setFluxRequired(p.name());
+
+    Info<< "Creating field dpdt\n" << endl;
+    volScalarField dpdt
+    (
+        IOobject
+        (
+            "dpdt",
+            runTime.timeName(),
+            mesh
+        ),
+        mesh,
+        dimensionedScalar("dpdt", p.dimensions()/dimTime, 0)
+    );
+
+    Info<< "Creating field kinetic energy K\n" << endl;
+    volScalarField K("K", 0.5*magSqr(U));
+
+    Info<< "\nReading momentum exchange field Ksl\n" << endl;
+    volScalarField Ksl
+    (
+        IOobject
+        (
+            "Ksl",
+            runTime.timeName(),
+            mesh,
+            IOobject::MUST_READ,
+            IOobject::AUTO_WRITE
+        ),
+        mesh
+        //dimensionedScalar("0", dimensionSet(1, -3, -1, 0, 0), 1.0)
+    );
+
+
+    Info<< "Reading particle velocity field Us\n" << endl;
+    volVectorField Us
+    (
+        IOobject
+        (
+            "Us",
+            runTime.timeName(),
+            mesh,
+            IOobject::MUST_READ,
+            IOobject::AUTO_WRITE
+        ),
+        mesh
+    );
+
+//===============================

applications/solvers/cfdemSolverRhoSimple/pEqn.H

@@ -0,0 +1,81 @@
+rho = thermo.rho();
+rho = max(rho, rhoMin);
+rho = min(rho, rhoMax);
+rho.relax();
+
+volScalarField rAU(1.0/UEqn.A());
+surfaceScalarField rhorAUf("rhorAUf", fvc::interpolate(rhoeps*rAU));
+if (modelType=="A")
+{
+    rhorAUf *= fvc::interpolate(voidfraction);
+}
+volVectorField HbyA(constrainHbyA(rAU*UEqn.H(), U, p));
+
+surfaceScalarField phiUs("phiUs", fvc::interpolate(rhoeps*rAU*Ksl*Us)& mesh.Sf());
+
+
+if (simple.transonic())
+{
+//  transonic version not implemented yet
+}
+else
+{
+    surfaceScalarField phiHbyA
+    (
+        "phiHbyA",
+        (
+            fvc::flux(rhoeps*HbyA)
+        )
+    );
+
+    // flux without pressure gradient contribution
+    phi = phiHbyA + phiUs;
+
+    // Update the pressure BCs to ensure flux consistency
+    constrainPressure(p, rhoeps, U, phi, rhorAUf);
+
+    while (simple.correctNonOrthogonal())
+    {
+        // Pressure corrector
+        fvScalarMatrix pEqn
+        (
+            fvc::div(phi)
+          - fvm::laplacian(rhorAUf, p)
+          ==
+            fvOptions(psi, p, rho.name())
+        );
+
+        pEqn.setReference(pRefCell, pRefValue);
+
+        pEqn.solve();
+
+        if (simple.finalNonOrthogonalIter())
+        {
+            phi += pEqn.flux();
+        }
+    }
+}
+
+// Explicitly relax pressure for momentum corrector
+p.relax();
+
+// Recalculate density from the relaxed pressure
+rho = thermo.rho();
+rho = max(rho, rhoMin);
+rho = min(rho, rhoMax);
+rho.relax();
+Info<< "rho max/min : " << max(rho).value()
+    << " " << min(rho).value() << endl;
+
+if (modelType=="A")
+{
+    U = HbyA - rAU*(voidfraction*fvc::grad(p)-Ksl*Us);
+}
+else
+{
+    U = HbyA - rAU*(fvc::grad(p)-Ksl*Us);
+}
+
+U.correctBoundaryConditions();
+fvOptions.correct(U);
+K = 0.5*magSqr(U);

applications/utilities/cfdemPostproc/cfdemPostproc.C

@@ -84,7 +84,7 @@ int main(int argc, char *argv[])
     particleCloud.dataExchangeM().allocateArray(particleV_,0.,1);
     particleCloud.get_cellIDs(cellIDs_);  // get ref to cellIDs
     //particleCloud.dataExchangeM().allocateArray(cellIDs_,0.,1);
-    
+
 
     while (runTime.loop())
     {

applications/utilities/writeUfluid/writeUfluid.C

@@ -28,7 +28,7 @@ Application
     writeUfluidwriteUfluid
 
 Description
-    Writes the the cell center fluid velocity to particles in the lagrangian 
+    Writes the the cell center fluid velocity to particles in the lagrangian
     time directory.
 \*---------------------------------------------------------------------------*/
 
@@ -76,13 +76,13 @@ int nParticle=0;
     {
         volVectorField U(UHeader,mesh);
         passiveParticleCloud myCloud(mesh, cloudName);
-		myCloud.write();
+        myCloud.write();
         nParticle = myCloud.size();
-	    IOField<vector> Ufluid(myCloud.fieldIOobject("Ufluid",IOobject::NO_READ),nParticle);
+        IOField<vector> Ufluid(myCloud.fieldIOobject("Ufluid",IOobject::NO_READ),nParticle);
         label i = 0;
         forAllConstIter(passiveParticleCloud, myCloud, iter)
         {
-		    Ufluid[i]=U[iter().cell()];
+            Ufluid[i]=U[iter().cell()];
             i++;
         }
         Ufluid.write();

doc/.gitignore

@@ -1,7 +1,12 @@
-*.o
-*.d
-*.a
-*.dep
-log_*
-log.*
+# ignore generated files and folders
+*.html
+*.rst
+*.inv
 *~
+searchindex.js
+
+_build
+_sources
+_static
+_images
+

doc/CFDEMcoupling_Manual.html

@@ -1,243 +0,0 @@
-<HTML>
-<CENTER><A HREF = "http://www.cfdem.com">CFDEMproject WWW Site</A> 
-</CENTER>
-
-
-
-
-
-
-
-
-<HR>
-
-<H2><CENTER>CFDEMcoupling Documentation 
-</CENTER></H2>
-<HR>
-
-<CENTER><IMG SRC = "Portfolio_CFDEMcoupling.png">
-</CENTER>
-<HR>
-
-<H3>1. Contents 
-</H3>
-<P>The CFDEMcoupling documentation is organized into the following sections. If you find any errors or omissions in this manual or have suggestions for useful information to add, please send an email to the developers so the CFDEMcoupling documentation can be improved.
-</P>
-1.1 <A HREF = "#1_1">About CFDEMcoupling</A><BR>
-1.2 <A HREF = "#1_2">Installation</A><BR>
-1.3 <A HREF = "#1_3">Tutorials</A><BR>
-1.4 <A HREF = "#1_4">couplingProperties dictionary</A><BR>
-1.5 <A HREF = "#1_5">liggghtsCommands dictionary</A><BR>
-1.6 <A HREF = "#cmd_5">Models and solvers</A> <BR>
-
-<HR>
-
-<A NAME = "1_1"></A><H4>1.1 About CFDEMcoupling 
-</H4>
-<P>CFDEM coupling provides an open source parallel coupled CFD-DEM framework combining the strengths of <A HREF = "http://www.cfdem.com">LIGGGHTS</A> DEM code and the Open Source CFD package <A HREF = "http://www.openfoam.com">OpenFOAM(R)(*)</A>. The CFDEMcoupling toolbox allows to expand standard CFD solvers of <A HREF = "http://www.openfoam.com">OpenFOAM(R)(*)</A> to include a coupling to the DEM code <A HREF = "http://www.cfdem.com">LIGGGHTS</A>. In this toolbox the particle representation within the CFD solver is organized by "cloud" classes. Key functionalities are organised in sub-models (e.g. force models, data exchange models, etc.) which can easily be selected and combined by dictionary settings.
-</P>
-<P>The coupled solvers run fully parallel on distributed-memory clusters. Features are:
-</P>
-<UL><LI>its modular approach allows users to easily implement new models 
-
-<LI>its MPI parallelization enables to use it for large scale problems 
-
-<LI>the <A HREF = "http://www.cfdem.com">forum</A> on CFD-DEM gives the possibility to exchange with other users / developers 
-
-<LI>the use of GIT allows to easily update to the latest version 
-
-<LI>basic documentation is provided 
-
-
-</UL>
-<P>The file structure:
-</P>
-<UL><LI><I>src</I> directory including the source files of the coupling toolbox and models 
-
-<LI><I>applications</I> directory including the solver files for coupled CFD-DEM simulations 
-
-<LI><I>doc</I> directory including the documentation of CFDEMcoupling 
-
-<LI><I>tutorials</I> directory including basic tutorial cases showing the functionality  
-
-
-</UL>
-<P>Details on installation are given on the <A HREF = "http://www.cfdem.com">CFDEMproject WWW Site</A> .
-The functionality of this CFD-DEM framework is described via <A HREF = "#_1_2">tutorial cases</A> showing how to use different solvers and models.
-</P>
-<P>CFDEMcoupling stands for Computational Fluid Dynamics (CFD) -Discrete Element Method (DEM) coupling.
-</P>
-<P>CFDEMcoupling is an open-source code, distributed freely under the terms of the GNU Public License (GPL).
-</P>
-<P>Core development of CFDEMcoupling is done by Christoph Goniva and Christoph Kloss, both at DCS Computing GmbH, 2012
-</P>
-<P>This documentation was written by Christoph Goniva, DCS Computing GmbH, 2012
-</P>
-<HR>
-
-<P>(*) This offering is not approved or endorsed by OpenCFD Limited, the producer of the OpenFOAM software and owner of the OPENFOAM®  and OpenCFD®  trade marks. OPENFOAM® is a registered trade mark of OpenCFD Limited, a wholly owned subsidiary of the ESI Group.
-</P>
-<HR>
-
-<A NAME = "1_2"></A><H4>1.2 Installation 
-</H4>
-<P>Please follow the installation routine provided at www.cfdem.com.
-In order to get the latest code version, please use the git repository at http://github.com (<A HREF = "githubAccess_public.html">githubAccess</A>). 
-</P>
-<HR>
-
-<A NAME = "1_3"></A><H4>1.3 Tutorials 
-</H4>
-<P><B>General:</B>
-</P>
-<P>Each solver of the CFDEMcoupling comes with at least one tutorial example, showing its functionality and correct usage. Provided that the installation is correct, the tutorials can be run via "Allrun.sh" shell scripts. These scripts perform all necessary steps (preprocessing, run, postprocessing, visualization).
-</P>
-<P><B>Location:</B>
-</P>
-<P>The tutorials can be found in the directory $CFDEM_PROJECT_DIR/tutorials, which can be reached by typing "cfdemTut"
-</P>
-<P><B>Structure:</B>
-</P>
-<P>Each case is structured in a directory called "CFD" covering the CFD relevant settings and data, and a dirctory called "DEM" covering the DEM relevant settings and data. This allows to easily expand a pure CFD or DEM simulation case to a coupled case.
-</P>
-<P><B>Usage:</B>
-</P>
-<P>Provided that the installation is correct, the tutorials can be run via "Allrun.sh" shell script, executed by typing "./Allrun.sh". The successful run of the script might need some third party software (e.g. octave, evince, etc.).
-</P>
-<P><B>Settings:</B>
-</P>
-<P>The main settings of a simulation are done via dictionaries:
-</P>
-<P>The DEM setup of each case is defined by a <A HREF = "http://www.cfdem.com">LIGGGHTS</A> input file located in $caseDir/DEM (e.g. in.liggghts_init). For details on the <A HREF = "http://www.cfdem.com">LIGGGHTS</A> setup, please have a look at the <A HREF = "http://www.cfdem.com">LIGGGHTS</A> manual.
-</P>
-<P>Standard CFD settings are defined in $caseDir/CFD/constant (e.g. transportProperties, RASproperties, etc.) and $caseDir/CFD/system (e.g. fvSchemes, controlDict). You can find more information on that in <A HREF = "http://www.openfoam.com">OpenFOAM(R)(*)</A> documentations (www.openFoam.com)(*).
-</P>
-<P>Settings of the coupling routines are defined in $caseDir/CFD/constant/<A HREF = "#1_3">couplingProperies</A> (e.g. force models, data exchange model, etc.) and $caseDir/CFD/constant/<A HREF = "#1_3">liggghtsCommands</A> (allows to execute a LIGGGHTS command during a coupled simulation).
-</P>
-<HR>
-
-<A NAME = "1_4"></A><H4>1.4 "couplingProperties" dictionary 
-</H4>
-<P><B>General:</B>
-</P>
-<P>In the "couplingProperties" dictionary the setup of the coupling routines of the CFD-DEM simulation are defined.
-</P>
-<P><B>Location:</B> $caseDir/CFD/constant
-</P>
-<P><B>Structure:</B>
-</P>
-<P>The dictionary is divided into two parts, "sub-models & settings" and "sub-model properties".
-</P>
-<P>In "sub-models & settings" the following routines must be specified:
-</P>
-<UL><LI>modelType 
-
-<LI>couplingInterval 
-
-<LI>voidFractionModel 
-
-<LI>locateModel 
-
-<LI>meshMotionModel 
-
-<LI>regionModel 
-
-<LI>IOModel 
-
-<LI>dataExchangeModel 
-
-<LI>averagingModel 
-
-<LI>forceModels 
-
-<LI>momCoupleModels 
-
-<LI>turbulenceModelType 
-
-
-</UL>
-<P>In "sub-model properties" sub-dictionaries might be defined to specify model specific parameters.
-</P>
-<P><B>Settings:</B>
-</P>
-<P>Reasonable example settings for the "couplingProperties" dictionary are given in the tutorial cases.
-</P>
-<PRE>modelType 
-</PRE>
-<P>"modelType" refers to the formulation of the equations to be solved. Choose "A", "B" or "Bfull", according to Zhou et al. (2010): "Discrete particle simulation of particle-fluid flow: model formulations and their applicability", JFM. "A" requires the use of the force models gradPForce and viscForce, whereas "B" requires the force model "Archimedes". "Bfull" refers to model type I.
-</P>
-<PRE>couplingInterval 
-</PRE>
-<P>The coupling interval determines the time passing between two CFD-DEM data exchanges.
-</P>
-<P>A useful procedure would be:
-1) Set the DEM timestep in the in.xxx file according to the needs of the pure DEM problem.
-2) Set the "couplingInterval", which refers to the DEM timesteps. Depending on the problem you will need to have a close (small couplingInterval) or loose coupling.
-3) Choose the CFD timestep in the controlDict. It must be equal to or smaller than the coupling time, otherwise you will get the error: "Error - TS bigger than coupling interval!".
-</P>
-<P>Example: DEMts=0.00001s, couplingInterval=10 exchange data (=couple) will happen every 0.0001s.
-</P>
-<HR>
-
-<H4><A NAME = "1_5"></A>1.5 "liggghtsCommands" dictionary 
-</H4>
-<P><B>General:</B>
-</P>
-<P>In the "liggghtsCommands" dictionary liggghts commands being executed during a coupled CFD-DEM simulation are specified.
-</P>
-<P><B>Location:</B> $caseDir/CFD/constant
-</P>
-<P><B>Structure:</B>
-</P>
-<P>The dictionary is divided into two parts, first a list of "liggghtsCommandModels" is defined, then the settings for each model must be specified.
-</P>
-<P><B>Settings:</B>
-</P>
-<P>Reasonable example settings for the "liggghtsCommands" dictionary are given in the tutorial cases.
-</P>
-<HR>
-
-<H4><A NAME = "cmd_5"></A><A NAME = "comm"></A>1.6 Models/Solvers 
-</H4>
-<P>This section lists all CFDEMcoupling sub-models and solvers alphabetically, with a separate
-listing below of styles within certain commands.
-</P>
-<DIV ALIGN=center><TABLE  BORDER=1 >
-<TR ALIGN="center"><TD ><A HREF = "IOModel.html">IOModel</A></TD><TD ><A HREF = "IOModel_basicIO.html">IOModel_basicIO</A></TD></TR>
-<TR ALIGN="center"><TD ><A HREF = "IOModel_noIO.html">IOModel_noIO</A></TD><TD ><A HREF = "IOModel_sophIO.html">IOModel_sophIO</A></TD></TR>
-<TR ALIGN="center"><TD ><A HREF = "IOModel_trackIO.html">IOModel_trackIO</A></TD><TD ><A HREF = "averagingModel.html">averagingModel</A></TD></TR>
-<TR ALIGN="center"><TD ><A HREF = "averagingModel_dense.html">averagingModel_dense</A></TD><TD ><A HREF = "averagingModel_dilute.html">averagingModel_dilute</A></TD></TR>
-<TR ALIGN="center"><TD ><A HREF = "cfdemSolverIB.html">cfdemSolverIB</A></TD><TD ><A HREF = "cfdemSolverPiso.html">cfdemSolverPiso</A></TD></TR>
-<TR ALIGN="center"><TD ><A HREF = "cfdemSolverPisoScalar.html">cfdemSolverPisoScalar</A></TD><TD ><A HREF = "clockModel.html">clockModel</A></TD></TR>
-<TR ALIGN="center"><TD ><A HREF = "clockModel_noClock.html">clockModel_noClock</A></TD><TD ><A HREF = "clockModel_standardClock.html">clockModel_standardClock</A></TD></TR>
-<TR ALIGN="center"><TD ><A HREF = "dataExchangeModel.html">dataExchangeModel</A></TD><TD ><A HREF = "dataExchangeModel_noDataExchange.html">dataExchangeModel_noDataExchange</A></TD></TR>
-<TR ALIGN="center"><TD ><A HREF = "dataExchangeModel_oneWayVTK.html">dataExchangeModel_oneWayVTK</A></TD><TD ><A HREF = "dataExchangeModel_twoWayFiles.html">dataExchangeModel_twoWayFiles</A></TD></TR>
-<TR ALIGN="center"><TD ><A HREF = "dataExchangeModel_twoWayMPI.html">dataExchangeModel_twoWayMPI</A></TD><TD ><A HREF = "dataExchangeModel_twoWayMany2Many.html">dataExchangeModel_twoWayMany2Many</A></TD></TR>
-<TR ALIGN="center"><TD ><A HREF = "forceModel.html">forceModel</A></TD><TD ><A HREF = "forceModel_Archimedes.html">forceModel_Archimedes</A></TD></TR>
-<TR ALIGN="center"><TD ><A HREF = "forceModel_ArchimedesIB.html">forceModel_ArchimedesIB</A></TD><TD ><A HREF = "forceModel_DiFeliceDrag.html">forceModel_DiFeliceDrag</A></TD></TR>
-<TR ALIGN="center"><TD ><A HREF = "forceModel_GidaspowDrag.html">forceModel_GidaspowDrag</A></TD><TD ><A HREF = "forceModel_KochHillDrag.html">forceModel_KochHillDrag</A></TD></TR>
-<TR ALIGN="center"><TD ><A HREF = "forceModel_LaEuScalarTemp.html">forceModel_LaEuScalarTemp</A></TD><TD ><A HREF = "forceModel_MeiLift.html">forceModel_MeiLift</A></TD></TR>
-<TR ALIGN="center"><TD ><A HREF = "forceModel_SchillerNaumannDrag.html">forceModel_SchillerNaumannDrag</A></TD><TD ><A HREF = "forceModel_ShirgaonkarIB.html">forceModel_ShirgaonkarIB</A></TD></TR>
-<TR ALIGN="center"><TD ><A HREF = "forceModel_fieldStore.html">forceModel_fieldStore</A></TD><TD ><A HREF = "forceModel_gradPForce.html">forceModel_gradPForce</A></TD></TR>
-<TR ALIGN="center"><TD ><A HREF = "forceModel_noDrag.html">forceModel_noDrag</A></TD><TD ><A HREF = "forceModel_particleCellVolume.html">forceModel_particleCellVolume</A></TD></TR>
-<TR ALIGN="center"><TD ><A HREF = "forceModel_virtualMassForce.html">forceModel_virtualMassForce</A></TD><TD ><A HREF = "forceModel_viscForce.html">forceModel_viscForce</A></TD></TR>
-<TR ALIGN="center"><TD ><A HREF = "forceSubModel.html">forceSubModel</A></TD><TD ><A HREF = "forceSubModel_ImEx.html">forceSubModel_ImEx</A></TD></TR>
-<TR ALIGN="center"><TD ><A HREF = "forceSubModel_ImExCorr.html">forceSubModel_ImExCorr</A></TD><TD ><A HREF = "liggghtsCommandModel.html">liggghtsCommandModel</A></TD></TR>
-<TR ALIGN="center"><TD ><A HREF = "liggghtsCommandModel_execute.html">liggghtsCommandModel_execute</A></TD><TD ><A HREF = "liggghtsCommandModel_readLiggghtsData.html">liggghtsCommandModel_readLiggghtsData</A></TD></TR>
-<TR ALIGN="center"><TD ><A HREF = "liggghtsCommandModel_runLiggghts.html">liggghtsCommandModel_runLiggghts</A></TD><TD ><A HREF = "liggghtsCommandModel_writeLiggghts.html">liggghtsCommandModel_writeLiggghts</A></TD></TR>
-<TR ALIGN="center"><TD ><A HREF = "locateModel.html">locateModel</A></TD><TD ><A HREF = "locateModel_engineSearch.html">locateModel_engineSearch</A></TD></TR>
-<TR ALIGN="center"><TD ><A HREF = "locateModel_engineSearchIB.html">locateModel_engineSearchIB</A></TD><TD ><A HREF = "locateModel_engineSearchMany2Many.html">locateModel_engineSearchMany2Many</A></TD></TR>
-<TR ALIGN="center"><TD ><A HREF = "locateModel_standardSearch.html">locateModel_standardSearch</A></TD><TD ><A HREF = "locateModel_turboEngineSearch.html">locateModel_turboEngineSearch</A></TD></TR>
-<TR ALIGN="center"><TD ><A HREF = "meshMotionModel.html">meshMotionModel</A></TD><TD ><A HREF = "meshMotionModel_noMeshMotion.html">meshMotionModel_noMeshMotion</A></TD></TR>
-<TR ALIGN="center"><TD ><A HREF = "momCoupleModel.html">momCoupleModel</A></TD><TD ><A HREF = "momCoupleModel_explicitCouple.html">momCoupleModel_explicitCouple</A></TD></TR>
-<TR ALIGN="center"><TD ><A HREF = "momCoupleModel_implicitCouple.html">momCoupleModel_implicitCouple</A></TD><TD ><A HREF = "momCoupleModel_noCouple.html">momCoupleModel_noCouple</A></TD></TR>
-<TR ALIGN="center"><TD ><A HREF = "probeModel.html">probeModel</A></TD><TD ><A HREF = "probeModel_noProbe.html">probeModel_noProbe</A></TD></TR>
-<TR ALIGN="center"><TD ><A HREF = "regionModel.html">regionModel</A></TD><TD ><A HREF = "regionModel_allRegion.html">regionModel_allRegion</A></TD></TR>
-<TR ALIGN="center"><TD ><A HREF = "smoothingModel.html">smoothingModel</A></TD><TD ><A HREF = "smoothingModel_constDiffSmoothing.html">smoothingModel_constDiffSmoothing</A></TD></TR>
-<TR ALIGN="center"><TD ><A HREF = "smoothingModel_noSmoothing.html">smoothingModel_noSmoothing</A></TD><TD ><A HREF = "voidFractionModel.html">voidfractionModel</A></TD></TR>
-<TR ALIGN="center"><TD ><A HREF = "voidFractionModel_GaussVoidFraction.html">voidfractionModel_GaussVoidFraction</A></TD><TD ><A HREF = "voidFractionModel_IBVoidFraction.html">voidfractionModel_IBVoidFraction</A></TD></TR>
-<TR ALIGN="center"><TD ><A HREF = "voidFractionModel_bigParticleVoidFraction.html">voidfractionModel_bigParticleVoidFraction</A></TD><TD ><A HREF = "voidFractionModel_centreVoidFraction.html">voidfractionModel_centreVoidFraction</A></TD></TR>
-<TR ALIGN="center"><TD ><A HREF = "voidFractionModel_dividedVoidFraction.html">voidfractionModel_dividedVoidFraction</A> 
-</TD></TR></TABLE></DIV>
-
-</HTML>

doc/CFDEMcoupling_Manual.txt

@@ -1,307 +1,93 @@
-"CFDEMproject WWW Site"_lws :c
-
-:link(lws,http://www.cfdem.com)
-:link(lc,CFDEMcoupling_Manual.html#comm)
-:link(of,http://www.openfoam.com)
-:link(lig,http://www.cfdem.com)
+"CFDEMproject Website"_lig :c
 
 :line
-CFDEMcoupling Documentation :h2,c
+CFDEMcoupling Documentation :h1,c
+<!-- HTML_ONLY -->
+Academic version :c
+<!-- END_HTML_ONLY -->
+
+<!-- RST
+
+|ProjectVersion|
+
+END_RST -->
+
 :line
 :c,image(Portfolio_CFDEMcoupling.png)
 :line
+
+<!-- HTML_ONLY -->
+NOTE:
+
+This is an academic adaptation of the CFDEMcoupling software package, released by
+the Department of Particulate Flow Modelling at "Johannes Kepler University
+Linz"_http://www.jku.at, Austria.
+This offering is not approved or endorsed by DCS Computing GmbH, the producer of
+the LIGGGHTS&reg; and CFDEM&reg;coupling software and owner of the LIGGGHTS
+and CFDEM&reg; trade marks.
+<!-- END_HTML_ONLY -->
+
+<!-- RST
+
+.. note::
+
+   This is an academic adaptation of the CFDEMcoupling software package, released
+   by the Department of Particulate Flow Modelling at `Johannes Kepler University
+   Linz <http://www.jku.at>`_, Austria.
+   This offering is not approved or endorsed by DCS Computing GmbH, the producer
+   of the LIGGGHTS\ |reg| and CFDEM\ |reg|\ coupling software and owner of the
+   LIGGGHTS and CFDEM\ |reg| trade marks.
+
+.. |reg|    unicode:: U+000AE .. REGISTERED SIGN
+
+END_RST -->
+
+<!-- HTML_ONLY -->
 1. Contents :h3
+<!-- END_HTML_ONLY -->
 
-The CFDEMcoupling documentation is organized into the following sections. If you find any errors or omissions in this manual or have suggestions for useful information to add, please send an email to the developers so the CFDEMcoupling documentation can be improved.
+The CFDEMcoupling documentation is organized into the following sections. If you
+find any errors or omissions in this manual or have suggestions for useful
+information to add, please send an email to the developers so the CFDEMcoupling
+documentation can be improved.
 
-1.1 "About CFDEMcoupling"_#1_1
-1.2 "Installation"_#1_2
-1.3 "Tutorials"_#1_3
-1.4 "couplingProperties dictionary"_#1_4
-1.5 "liggghtsCommands dictionary"_#1_5
-1.6 "Models and solvers"_#cmd_5 :all(b)
+<!-- HTML_ONLY -->
+"About CFDEMcoupling"_CFDEMcoupling_about.html :olb,l
+"Installation"_CFDEMcoupling_install.html :l
+"Tutorials"_CFDEMcoupling_tutorials.html :l
+"Dictionaries"_CFDEMcoupling_dicts.html :l
+  4.1 "couplingProperties dictionary"_CFDEMcoupling_dicts.html#couplingProperties :ulb,b
+  4.2 "liggghtsCommands dictionary"_CFDEMcoupling_dicts.html#liggghtsCommands :ule,b
+"Solvers"_CFDEMcoupling_solvers.html :l
+"Models"_CFDEMcoupling_models.html :l
+:ole
+<!-- END_HTML_ONLY -->
 
-:line
+<!-- RST
 
-1.1 About CFDEMcoupling :link(1_1),h4
+.. toctree::
+   :maxdepth: 2
+   :numbered:
+   :caption: User Documentation
+   :name: userdoc
+   :includehidden:
 
-CFDEM coupling provides an open source parallel coupled CFD-DEM framework combining the strengths of "LIGGGHTS"_lig DEM code and the Open Source CFD package "OpenFOAM(R)(*)"_of. The CFDEMcoupling toolbox allows to expand standard CFD solvers of "OpenFOAM(R)(*)"_of to include a coupling to the DEM code "LIGGGHTS"_lig. In this toolbox the particle representation within the CFD solver is organized by "cloud" classes. Key functionalities are organised in sub-models (e.g. force models, data exchange models, etc.) which can easily be selected and combined by dictionary settings.
+   CFDEMcoupling_about
+   CFDEMcoupling_install
+   CFDEMcoupling_tutorials
+   CFDEMcoupling_dicts
+   CFDEMcoupling_solvers
+   CFDEMcoupling_models
 
-The coupled solvers run fully parallel on distributed-memory clusters. Features are:
+Indices and tables
+==================
 
-its modular approach allows users to easily implement new models :ulb,l
-its MPI parallelization enables to use it for large scale problems :l
-the "forum"_lws on CFD-DEM gives the possibility to exchange with other users / developers :l
-the use of GIT allows to easily update to the latest version :l
-basic documentation is provided :l
-:ule
+* :ref:`genindex`
+* :ref:`search`
 
-The file structure:
+END_RST -->
 
-{src} directory including the source files of the coupling toolbox and models :ulb,l
-{applications} directory including the solver files for coupled CFD-DEM simulations :l
-{doc} directory including the documentation of CFDEMcoupling :l
-{tutorials} directory including basic tutorial cases showing the functionality  :l
-:ule
+:link(of,http://www.openfoam.org)
+:link(lig,http://www.cfdem.com)
 
-Details on installation are given on the "CFDEMproject WWW Site"_lws .
-The functionality of this CFD-DEM framework is described via "tutorial cases"_#_1_2 showing how to use different solvers and models.
 
-CFDEMcoupling stands for Computational Fluid Dynamics (CFD) -Discrete Element Method (DEM) coupling.
-
-CFDEMcoupling is an open-source code, distributed freely under the terms of the GNU Public License (GPL).
-
-Core development of CFDEMcoupling is done by Christoph Goniva and Christoph Kloss, both at DCS Computing GmbH, 2012
-
-This documentation was written by Christoph Goniva, DCS Computing GmbH, 2012
-
-:line
-(*) This offering is not approved or endorsed by OpenCFD Limited, the producer of the OpenFOAM software and owner of the OPENFOAM®  and OpenCFD®  trade marks. OPENFOAM® is a registered trade mark of OpenCFD Limited, a wholly owned subsidiary of the ESI Group.
-
-:line
-
-1.2 Installation :link(1_2),h4
-
-Please follow the installation routine provided at www.cfdem.com.
-In order to get the latest code version, please use the git repository at http://github.com ("githubAccess"_githubAccess_public.html). 
-
-:line
-
-1.3 Tutorials :link(1_3),h4
-
-[General:]
-
-Each solver of the CFDEMcoupling comes with at least one tutorial example, showing its functionality and correct usage. Provided that the installation is correct, the tutorials can be run via "Allrun.sh" shell scripts. These scripts perform all necessary steps (preprocessing, run, postprocessing, visualization).
-
-[Location:]
-
-The tutorials can be found in the directory $CFDEM_PROJECT_DIR/tutorials, which can be reached by typing "cfdemTut"
-
-[Structure:]
-
-Each case is structured in a directory called "CFD" covering the CFD relevant settings and data, and a dirctory called "DEM" covering the DEM relevant settings and data. This allows to easily expand a pure CFD or DEM simulation case to a coupled case.
-
-[Usage:]
-
-Provided that the installation is correct, the tutorials can be run via "Allrun.sh" shell script, executed by typing "./Allrun.sh". The successful run of the script might need some third party software (e.g. octave, evince, etc.).
-
-[Settings:]
-
-The main settings of a simulation are done via dictionaries:
-
-The DEM setup of each case is defined by a "LIGGGHTS"_lig input file located in $caseDir/DEM (e.g. in.liggghts_init). For details on the "LIGGGHTS"_lig setup, please have a look at the "LIGGGHTS"_lig manual.
-
-Standard CFD settings are defined in $caseDir/CFD/constant (e.g. transportProperties, RASproperties, etc.) and $caseDir/CFD/system (e.g. fvSchemes, controlDict). You can find more information on that in "OpenFOAM(R)(*)"_of documentations (www.openFoam.com)(*).
-
-Settings of the coupling routines are defined in $caseDir/CFD/constant/"couplingProperies"_#1_3 (e.g. force models, data exchange model, etc.) and $caseDir/CFD/constant/"liggghtsCommands"_#1_3 (allows to execute a LIGGGHTS command during a coupled simulation).
-
-:line
-
-1.4 "couplingProperties" dictionary :link(1_4),h4
-
-[General:]
-
-In the "couplingProperties" dictionary the setup of the coupling routines of the CFD-DEM simulation are defined.
-
-[Location:] $caseDir/CFD/constant
-
-[Structure:]
-
-The dictionary is divided into two parts, "sub-models & settings" and "sub-model properties".
-
-In "sub-models & settings" the following routines must be specified:
-
-modelType :ulb,l
-couplingInterval :l
-voidFractionModel :l
-locateModel :l
-meshMotionModel :l
-regionModel :l
-IOModel :l
-dataExchangeModel :l
-averagingModel :l
-forceModels :l
-momCoupleModels :l
-turbulenceModelType :l
-:ule
-
-In "sub-model properties" sub-dictionaries might be defined to specify model specific parameters.
-
-[Settings:]
-
-Reasonable example settings for the "couplingProperties" dictionary are given in the tutorial cases.
-
-modelType :pre
-
-"modelType" refers to the formulation of the equations to be solved. Choose "A", "B" or "Bfull", according to Zhou et al. (2010): "Discrete particle simulation of particle-fluid flow: model formulations and their applicability", JFM. "A" requires the use of the force models gradPForce and viscForce, whereas "B" requires the force model "Archimedes". "Bfull" refers to model type I.
-
-couplingInterval :pre
-
-The coupling interval determines the time passing between two CFD-DEM data exchanges.
-
-A useful procedure would be:
-1) Set the DEM timestep in the in.xxx file according to the needs of the pure DEM problem.
-2) Set the "couplingInterval", which refers to the DEM timesteps. Depending on the problem you will need to have a close (small couplingInterval) or loose coupling.
-3) Choose the CFD timestep in the controlDict. It must be equal to or smaller than the coupling time, otherwise you will get the error: "Error - TS bigger than coupling interval!".
-
-Example: DEMts=0.00001s, couplingInterval=10 exchange data (=couple) will happen every 0.0001s.
-
-:line
-
-1.5 "liggghtsCommands" dictionary :h4,link(1_5)
-
-[General:]
-
-In the "liggghtsCommands" dictionary liggghts commands being executed during a coupled CFD-DEM simulation are specified.
-
-[Location:] $caseDir/CFD/constant
-
-[Structure:]
-
-The dictionary is divided into two parts, first a list of "liggghtsCommandModels" is defined, then the settings for each model must be specified.
-
-[Settings:]
-
-Reasonable example settings for the "liggghtsCommands" dictionary are given in the tutorial cases.
-
-:line
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-1.6 Models/Solvers :h4,link(cmd_5),link(comm)
-
-This section lists all CFDEMcoupling sub-models and solvers alphabetically, with a separate
-listing below of styles within certain commands.
-
-
-"IOModel"_IOModel.html,
-"IOModel_basicIO"_IOModel_basicIO.html,
-"IOModel_noIO"_IOModel_noIO.html,
-"IOModel_sophIO"_IOModel_sophIO.html,
-"IOModel_trackIO"_IOModel_trackIO.html,
-"averagingModel"_averagingModel.html,
-"averagingModel_dense"_averagingModel_dense.html,
-"averagingModel_dilute"_averagingModel_dilute.html,
-"cfdemSolverIB"_cfdemSolverIB.html,
-"cfdemSolverPiso"_cfdemSolverPiso.html,
-"cfdemSolverPisoScalar"_cfdemSolverPisoScalar.html,
-"clockModel"_clockModel.html,
-"clockModel_noClock"_clockModel_noClock.html,
-"clockModel_standardClock"_clockModel_standardClock.html,
-"dataExchangeModel"_dataExchangeModel.html,
-"dataExchangeModel_noDataExchange"_dataExchangeModel_noDataExchange.html,
-"dataExchangeModel_oneWayVTK"_dataExchangeModel_oneWayVTK.html,
-"dataExchangeModel_twoWayFiles"_dataExchangeModel_twoWayFiles.html,
-"dataExchangeModel_twoWayMPI"_dataExchangeModel_twoWayMPI.html,
-"dataExchangeModel_twoWayMany2Many"_dataExchangeModel_twoWayMany2Many.html,
-"forceModel"_forceModel.html,
-"forceModel_Archimedes"_forceModel_Archimedes.html,
-"forceModel_ArchimedesIB"_forceModel_ArchimedesIB.html,
-"forceModel_DiFeliceDrag"_forceModel_DiFeliceDrag.html,
-"forceModel_GidaspowDrag"_forceModel_GidaspowDrag.html,
-"forceModel_KochHillDrag"_forceModel_KochHillDrag.html,
-"forceModel_LaEuScalarTemp"_forceModel_LaEuScalarTemp.html,
-"forceModel_MeiLift"_forceModel_MeiLift.html,
-"forceModel_SchillerNaumannDrag"_forceModel_SchillerNaumannDrag.html,
-"forceModel_ShirgaonkarIB"_forceModel_ShirgaonkarIB.html,
-"forceModel_fieldStore"_forceModel_fieldStore.html,
-"forceModel_gradPForce"_forceModel_gradPForce.html,
-"forceModel_noDrag"_forceModel_noDrag.html,
-"forceModel_particleCellVolume"_forceModel_particleCellVolume.html,
-"forceModel_virtualMassForce"_forceModel_virtualMassForce.html,
-"forceModel_viscForce"_forceModel_viscForce.html,
-"forceSubModel"_forceSubModel.html,
-"forceSubModel_ImEx"_forceSubModel_ImEx.html,
-"forceSubModel_ImExCorr"_forceSubModel_ImExCorr.html,
-"liggghtsCommandModel"_liggghtsCommandModel.html,
-"liggghtsCommandModel_execute"_liggghtsCommandModel_execute.html,
-"liggghtsCommandModel_readLiggghtsData"_liggghtsCommandModel_readLiggghtsData.html,
-"liggghtsCommandModel_runLiggghts"_liggghtsCommandModel_runLiggghts.html,
-"liggghtsCommandModel_writeLiggghts"_liggghtsCommandModel_writeLiggghts.html,
-"locateModel"_locateModel.html,
-"locateModel_engineSearch"_locateModel_engineSearch.html,
-"locateModel_engineSearchIB"_locateModel_engineSearchIB.html,
-"locateModel_engineSearchMany2Many"_locateModel_engineSearchMany2Many.html,
-"locateModel_standardSearch"_locateModel_standardSearch.html,
-"locateModel_turboEngineSearch"_locateModel_turboEngineSearch.html,
-"meshMotionModel"_meshMotionModel.html,
-"meshMotionModel_noMeshMotion"_meshMotionModel_noMeshMotion.html,
-"momCoupleModel"_momCoupleModel.html,
-"momCoupleModel_explicitCouple"_momCoupleModel_explicitCouple.html,
-"momCoupleModel_implicitCouple"_momCoupleModel_implicitCouple.html,
-"momCoupleModel_noCouple"_momCoupleModel_noCouple.html,
-"probeModel"_probeModel.html,
-"probeModel_noProbe"_probeModel_noProbe.html,
-"regionModel"_regionModel.html,
-"regionModel_allRegion"_regionModel_allRegion.html,
-"smoothingModel"_smoothingModel.html,
-"smoothingModel_constDiffSmoothing"_smoothingModel_constDiffSmoothing.html,
-"smoothingModel_noSmoothing"_smoothingModel_noSmoothing.html,
-"voidfractionModel"_voidFractionModel.html,
-"voidfractionModel_GaussVoidFraction"_voidFractionModel_GaussVoidFraction.html,
-"voidfractionModel_IBVoidFraction"_voidFractionModel_IBVoidFraction.html,
-"voidfractionModel_bigParticleVoidFraction"_voidFractionModel_bigParticleVoidFraction.html,
-"voidfractionModel_centreVoidFraction"_voidFractionModel_centreVoidFraction.html,
-"voidfractionModel_dividedVoidFraction"_voidFractionModel_dividedVoidFraction.html :tb(c=2,ea=c)

doc/CFDEMcoupling_about.txt

@@ -0,0 +1,99 @@
+"CFDEMproject Website"_lws - "Main Page"_main :c
+
+:link(lws,http://www.cfdem.com)
+:link(main,CFDEMcoupling_Manual.html)
+
+:line
+
+1. About CFDEMcoupling :link(1_1),h3
+
+<!-- HTML_ONLY -->
+CFDEMcoupling provides an open-source parallel coupled CFD-DEM framework
+combining the strengths of the "LIGGGHTS"_lig DEM code and the open-source CFD
+package "OpenFOAM&reg;"_of (*). The CFDEMcoupling toolbox allows to expand standard
+CFD solvers of "OpenFOAM&reg;"_of (*) to include a coupling to the DEM code
+"LIGGGHTS"_lig.
+
+<!-- END_HTML_ONLY -->
+
+<!-- RST
+
+CFDEMcoupling provides an open-source parallel coupled CFD-DEM framework
+combining the strengths of the `LIGGGHTS <http://www.cfdem.com>`_ DEM code and
+the open-source CFD package OpenFOAM\ |reg|\ (*).
+The CFDEMcoupling toolbox allows to expand standard CFD solvers of
+OpenFOAM\ |reg|\ (*) to include a coupling to the DEM code
+`LIGGGHTS <http://www.cfdem.com>`_.
+
+.. |reg|    unicode:: U+000AE .. REGISTERED SIGN
+
+END_RST -->
+
+In this toolbox the particle representation within the CFD
+solver is organized by "cloud" classes. Key functionalities are organized in
+sub-models (e.g. force models, data exchange models, etc.) which can easily be
+selected and combined by dictionary settings.
+
+The coupled solvers run fully parallel on distributed-memory clusters. Features
+are:
+
+its modular approach allows users to easily implement new models :ulb,l
+its MPI parallelization enables to use it for large scale problems :l
+the "forum"_lig on CFD-DEM gives the possibility to exchange with other users / developers :l
+the use of Git allows to easily update to the latest version :l
+basic documentation is provided :l
+:ule
+
+The file structure:
+
+{src} directory including the source files of the coupling toolbox and models :ulb,l
+{applications} directory including the solver files for coupled CFD-DEM simulations :l
+{doc} directory including the documentation of CFDEMcoupling :l
+{tutorials} directory including basic tutorial cases showing the functionality  :l
+:ule
+
+Details on installation are given on the "CFDEMproject Website"_lig .
+The functionality of this CFD-DEM framework is described via "tutorial
+cases"_CFDEMcoupling_tutorials.html showing how to use different solvers and
+models.
+
+CFDEMcoupling stands for Computational Fluid Dynamics (CFD) - Discrete Element
+Method (DEM) coupling.
+
+CFDEMcoupling is an open-source code, distributed freely under the terms of the
+"GNU Public License (GPL)"_https://www.gnu.org/licenses/gpl-3.0.en.html.
+
+Core development of the public version of CFDEMcoupling is done by Christoph
+Goniva and Christoph Kloss, both at DCS Computing GmbH.
+
+The original version of this documentation was written by Christoph Goniva, DCS
+Computing GmbH, 2012.
+
+:line
+
+<!-- HTML_ONLY -->
+NOTE:
+(*) This offering is not approved or endorsed by OpenCFD Limited, producer and
+distributor of the OpenFOAM software via www.openfoam.com, and owner of the
+OPENFOAM&reg; and OpenCFD&reg; trade marks.
+OPENFOAM&reg; is a registered trade mark of OpenCFD Limited, producer and
+distributor of the OpenFOAM software via www.openfoam.com.
+<!-- END_HTML_ONLY -->
+
+<!-- RST
+
+.. note::
+
+   (*) This offering is not approved or endorsed by OpenCFD Limited, producer
+   and distributor of the OpenFOAM software via www.openfoam.com, and owner of
+   the OPENFOAM\ |reg| and OpenCFD\ |reg| trade marks.
+   OPENFOAM\ |reg| is a registered trade mark of OpenCFD Limited, producer and
+   distributor of the OpenFOAM software via www.openfoam.com.
+
+.. |reg|    unicode:: U+000AE .. REGISTERED SIGN
+
+END_RST -->
+
+:link(of,http://www.openfoam.org)
+:link(lig,http://www.cfdem.com)
+

doc/CFDEMcoupling_dicts.txt

@@ -0,0 +1,105 @@
+"CFDEMproject Website"_lws - "Main Page"_main :c
+
+:link(lws,http://www.cfdem.com)
+:link(main,CFDEMcoupling_Manual.html)
+
+:line
+
+4. Dictionaries :link(1_4),h3
+
+4.1 couplingProperties dictionary :link(couplingProperties),h4
+
+[General:]
+
+In the {couplingProperties} dictionary the setup of the coupling routines of the
+CFD-DEM simulation are defined.
+
+[Location:] $caseDir/CFD/constant
+
+[Structure:]
+
+The dictionary is divided into two parts, "sub-models & settings" and "sub-model
+properties".
+
+In "sub-models & settings" the following routines must be specified:
+
+modelType :ulb,l
+couplingInterval :l
+voidFractionModel :l
+locateModel :l
+meshMotionModel :l
+regionModel :l
+IOModel :l
+dataExchangeModel :l
+averagingModel :l
+forceModels :l
+momCoupleModels :l
+turbulenceModelType :l
+:ule
+
+In "sub-model properties" sub-dictionaries might be defined to specify model
+specific parameters.
+
+[Settings:]
+
+Reasonable example settings for the {couplingProperties} dictionary are given in
+the tutorial cases.
+
+modelType :pre
+
+{modelType} refers to the formulation of the equations to be solved. Choose "A",
+"B" or "Bfull", according to "Zhou et al. (2010)"_#Zhou2010. Model "A" requires
+the use of the force models gradPForce and viscForce, whereas "B" requires the
+force model "Archimedes". "Bfull" refers to model type I.
+
+couplingInterval :pre
+
+The coupling interval determines the time passing between two CFD-DEM data
+exchanges.
+
+A useful procedure would be:
+
+Set the DEM time step in the LIGGGHTS input file according to the needs of the
+pure DEM problem. :olb,l
+Set the {couplingInterval}, which refers to the DEM time steps. Depending on the
+problem you will need to have a close (small couplingInterval) or loose
+coupling. :l
+Choose the CFD time step in the controlDict. It must be equal to or smaller than
+the coupling time, otherwise you will get the error: "Error - TS bigger than
+coupling interval!". :l,ole
+
+[Example:]
+
+Choosing DEMts=0.00001s and couplingInterval=10 means that an exchange of data
+(=coupling) will happen every 0.0001s.
+
+:line
+
+4.2 liggghtsCommands dictionary :link(liggghtsCommands),h4
+
+[General:]
+
+In the {liggghtsCommands} dictionary LIGGGHTS commands which are to be executed
+during a coupled CFD-DEM simulation are specified.
+
+[Location:] $caseDir/CFD/constant
+
+[Structure:]
+
+The dictionary is divided into two parts, first a list of
+"liggghtsCommandModels"_CFDEMcoupling_models.html#lcm is defined, then the
+settings for each model must be specified.
+
+[Settings:]
+
+Reasonable example settings for the {liggghtsCommands} dictionary are given in
+the tutorial cases.
+
+:line
+
+:link(Zhou2010)
+[(Zhou, 2010)]
+"Discrete particle simulation of particle-fluid flow: model formulations and their applicability",
+Zhou, Z. Y., Kuang, S. B., Chu, K. W. and Yu, A. B., J. Fluid Mech., 661, pp. 482-510 (2010)
+
+

doc/CFDEMcoupling_install.txt

@@ -0,0 +1,220 @@
+"CFDEMproject Website"_lws - "Main Page"_main :c
+
+:link(lws,http://www.cfdem.com)
+:link(main,CFDEMcoupling_Manual.html)
+
+:line
+
+2. Installation :link(1_2),h3
+
+In order to get the latest code version, please use the git repository at
+"http://github.com"_https://github.com/ParticulateFlow.
+
+
+2.1 Installing OpenFOAM :h4
+
+2.1.1 Obtain a copy of the source code :h5
+
+In the CFDEMcoupling repository take a look at the file
+
+src/lagrangian/cfdemParticle/cfdTools/versionInfo.H :pre
+
+to find out the latest tested version of LIGGGHTS and OpenFOAM that work with
+CFDEMcoupling. As of this writing the version of OpenFOAM to be used is 4.x.
+
+You can then basically follow the instructions at
+"openfoam.org"_https://openfoam.org/download/source/, cloning OpenFOAM from the
+git repository.
+
+cd $HOME
+mkdir OpenFOAM
+cd OpenFOAM
+git clone https://github.com/OpenFOAM/OpenFOAM-4.x.git :pre
+
+Clone the corresponding third party packages to the OpenFOAM folder.
+
+git clone https://github.com/OpenFOAM/ThirdParty-4.x.git :pre
+
+Switch to root user with sudo
+
+sudo su - :pre
+
+Install dependent packages required for OpenFOAM on Ubuntu by executing the
+following commands:
+
+apt-get install build-essential flex bison cmake zlib1g-dev libboost-system-dev libboost-thread-dev libopenmpi-dev openmpi-bin gnuplot libreadline-dev libncurses-dev libxt-dev
+apt-get install qt4-dev-tools libqt4-dev libqt4-opengl-dev freeglut3-dev libqtwebkit-dev
+apt-get install libcgal-dev :pre
+
+2.1.2 Setup the environment :h5
+
+Open your bash startup file
+
+NOTE: Don't forget the dot before the file name of {.bashrc}
+
+gedit ~/.bashrc :pre
+
+and add the following lines:
+
+source $HOME/OpenFOAM/OpenFOAM-4.x/etc/bashrc
+export WM_NCOMPPROCS=4 :pre
+
+Save the file and reload it:
+
+source ~/.bashrc :pre
+
+:line
+
+[Additional check]
+
+Open ~/OpenFOAM/OpenFOAM-4.x/etc/bashrc and make sure that {WM_MPLIB} is set
+correctly:
+
+export WM_MPLIB=SYSTEMOPENMPI :pre
+
+This should be the default setting but if you encounter some problems regarding
+MPI you might have to download the openmpi-1.10.2 source package to the third
+party folder and change the setting to {OPENMPI}
+
+:line
+
+
+2.1.3 Compile ThirdParty packages :h5
+
+cd $WM_THIRD_PARTY_DIR
+./Allwmake :pre
+
+
+[Compiling Paraview and the Paraview Reader Module]
+
+Paraview is a third-party software provided for graphical post-processing in
+OpenFOAM. Its compilation is automated using a script called makeParaView in the
+ThirdParty-4.x directory.
+
+Before installing Paraview, check the version of cmake that is installed on the
+system. This can be done by typing
+
+cmake --version :pre
+
+If the system cmake is older than version 2.8.8, clone a newer version to the
+Third Party folder and compile it by executing the following:
+
+cd $WM_THIRD_PARTY_DIR
+git clone https://github.com/Kitware/CMake.git cmake-3.2.1
+cd cmake-3.2.1
+git checkout tags/v3.2.1
+cd ..
+./makeCmake :pre
+
+In makeParaView set the path to cmake:
+
+CMAKE_PATH="$WM_THIRD_PARTY_DIR/platforms/linux64Gcc/cmake-3.2.1/bin" :pre
+
+To install Paraview, execute the following
+
+cd $WM_THIRD_PARTY_DIR
+./makeParaView :pre
+
+If you get the following error
+
+
+VTK/ThirdParty/hdf5/vtkhdf5/src/H5detect.c:158:1: error: unknown type name ‘sigjmp_buf’
+static H5JMP_BUF jbuf_g; :pre
+
+in VTK/ThirdParty/hdf5/vtkhdf5/config/cmake/ConfigureChecks.cmake around line 445 change
+
+set (HDF5_EXTRA_FLAGS -D_DEFAULT_SOURCE -D_BSD_SOURCE) :pre
+
+to
+
+set (HDF5_EXTRA_FLAGS -D_GNU_SOURCE -D_DEFAULT_SOURCE -D_BSD_SOURCE) :pre
+
+
+2.1.4 Compile OpenFOAM :h5
+
+[Compiling the source code]
+
+cd $WM_PROJECT_DIR
+./Allwmake :pre
+
+
+[Testing the installation]
+
+Create a project directory within the $HOME/OpenFOAM directory
+
+mkdir -p $FOAM_RUN :pre
+
+Copy the tutorial examples directory in the OpenFOAM distribution to the run
+directory. If the OpenFOAM environment variables are set correctly, then the
+following command will be correct:
+
+cp -r $FOAM_TUTORIALS $FOAM_RUN :pre
+
+Run the first example case of incompressible laminar flow in a cavity:
+
+cd $FOAM_RUN/tutorials/incompressible/icoFoam/cavity/cavity
+blockMesh
+icoFoam
+paraFoam :pre
+
+
+2.2 Installing CFDEMcoupling :h4
+
+Make sure OpenFOAM is set up correctly and LIGGGHTS is installed as well. Clone
+the CFDEMcoupling source from the repository:
+
+cd $HOME
+mkdir CFDEM
+cd CFDEM
+git clone https://github.com/ParticulateFlow/CFDEMcoupling.git :pre
+
+Open the bashrc file of CFDEMcoupling
+
+gedit ~/CFDEM/CFDEMcoupling/etc/bashrc & :pre
+
+Edit the lines marked as {USER EDITABLE PART} to reflect your installation paths
+correctly. Save the bashrc file and reload it:
+
+source ~/CFDEM/CFDEMcoupling/etc/bashrc :pre
+
+Entering $CFDEM_PROJECT_DIR in a the terminal should now give "... is a directory"
+
+Check if everything is set up correctly:
+
+cfdemSysTest :pre
+
+Compile LIGGGHTS (as a library)
+
+cfdemCompLIG :pre
+
+If the compilation fails with a message like
+
+No rule to make target '/usr/lib/libpython2.7.so' :pre
+
+you probably need to create a symbolic link to the library in question.
+
+Compile CFDEMcoupling (library, solvers and utilities) in one go
+
+cfdemCompCFDEM :pre
+
+or alternatively step by step
+
+cfdemCompCFDEMsrc
+cfdemCompCFDEMsol
+cfdemCompCFDEMuti :pre
+
+Find the log files of the compile process
+
+cd ~/CFDEM/CFDEMcoupling/etc/log
+ls :pre
+
+If the file [log_compile_results_success] is present, compilation was successful.
+
+Install Octave for post-processing some of the tutorial output.
+
+sudo apt-get install octave :pre
+
+To run all tutorial cases type in a terminal:
+
+cfdemTestTUT :pre
+

doc/CFDEMcoupling_models.txt

@@ -0,0 +1,218 @@
+"CFDEMproject Website"_lws - "Main Page"_main :c
+
+:link(lws,http://www.cfdem.com)
+:link(main,CFDEMcoupling_Manual.html)
+
+:line
+
+6. Models :h3,link(1_6),link(comm)
+
+This section lists all CFDEMcoupling sub-models alphabetically, with
+a separate listing below of styles within certain commands.
+
+6.1 I/O models :h4
+
+The "IOModel"_IOModel.html keyword entry specifies the model for writing output
+data.
+
+"basicIO"_IOModel_basicIO.html,
+"off"_IOModel_noIO.html,
+"sophIO"_IOModel_sophIO.html,
+"trackIO"_IOModel_trackIO.html :tb(c=2,ea=c)
+
+
+6.2 Averaging models :h4
+
+The "averagingModel"_averagingModel.html keyword entry defines the model used to
+map the Lagrangian data to Eulerian values.
+
+"dense"_averagingModel_dense.html,
+"dilute"_averagingModel_dilute.html :tb(c=2,ea=c)
+
+
+6.3 Chemistry models :h4
+
+The "chemistryModels"_chemistryModel.html keyword is used to specify a list of
+models used for chemical reaction calculations.
+
+"diffusionCoefficients"_chemistryModel_diffusionCoefficients.html,
+"massTransferCoeff"_chemistryModel_massTransferCoeff.html,
+"off"_chemistryModel_noChemistry.html,
+"reactantPerParticle"_chemistryModel_reactantPerParticle.html,
+"species"_chemistryModel_species.html :tb(c=2,ea=c)
+
+
+6.4 Clock models :h4
+
+The "clockModel"_clockModel.html keyword entry specifies the model used to
+examine the CFDEMcoupling code with respect to runtime.
+
+"off"_clockModel_noClock.html,
+"standardClock"_clockModel_standardClock.html :tb(c=2,ea=c)
+
+
+6.5 Data exchange models :h4
+
+The "dataExchangeModel"_dataExchangeModel.html keyword entry specifies the model
+that performs the data exchange between the DEM code and the CFD code.
+
+"noDataExchange"_dataExchangeModel_noDataExchange.html,
+"oneWayVTK"_dataExchangeModel_oneWayVTK.html,
+"twoWayFiles"_dataExchangeModel_twoWayFiles.html,
+"twoWayMPI"_dataExchangeModel_twoWayMPI.html,
+"twoWayMany2Many"_dataExchangeModel_twoWayMany2Many.html,
+"twoWayOne2One"_dataExchangeModel_twoWayOne2One.html :tb(c=2,ea=c)
+
+
+6.6 Energy models :h4
+
+The {energyModels} keyword specifies a list of energy models used for e.g.
+compressible, reacting flows.
+
+heatTransferGunn,
+heatTransferGunnPartField,
+reactionHeat :tb(c=2,ea=c)
+
+
+6.7 Force models :h4
+
+The "forceModels"_forceModel.html keyword specifies a list of models that exert
+a force on each DEM particle.
+
+"Archimedes"_forceModel_Archimedes.html,
+"ArchimedesIB"_forceModel_ArchimedesIB.html,
+"BeetstraDrag"_forceModel_BeetstraDrag.html,
+BeetstraDragPoly,
+"DiFeliceDrag"_forceModel_DiFeliceDrag.html,
+"dSauter"_forceModel_dSauter.html,
+Fines,
+"GidaspowDrag"_forceModel_GidaspowDrag.html,
+"KochHillDrag"_forceModel_KochHillDrag.html,
+"LaEuScalarTemp"_forceModel_LaEuScalarTemp.html,
+"MeiLift"_forceModel_MeiLift.html,
+"SchillerNaumannDrag"_forceModel_SchillerNaumannDrag.html,
+"ShirgaonkarIB"_forceModel_ShirgaonkarIB.html,
+"fieldStore"_forceModel_fieldStore.html,
+"fieldTimeAverage"_forceModel_fieldTimeAverage.html,
+"gradPForce"_forceModel_gradPForce.html,
+"gradPForceSmooth"_forceModel_gradPForceSmooth.html,
+granKineticEnergy,
+"interface"_forceModel_interface.html,
+"noDrag"_forceModel_noDrag.html,
+"particleCellVolume"_forceModel_particleCellVolume.html,
+"pdCorrelation"_forceModel_pdCorrelation.html,
+"surfaceTensionForce"_forceModel_surfaceTensionForce.html,
+"virtualMassForce"_forceModel_virtualMassForce.html,
+"viscForce"_forceModel_viscForce.html,
+"volWeightedAverage"_forceModel_volWeightedAverage.html :tb(c=2,ea=c)
+
+
+6.7.1 Force sub-models :h5
+
+The "forceSubModels"_forceSubModel.html keyword specifies a list
+of models that hold settings for a force model.
+
+"ImEx"_forceSubModel_ImEx.html,
+ScaleForce,
+scaleForceBoundary :tb(c=2,ea=c)
+
+
+6.8 LIGGGHTS command models :h4,link(lcm)
+
+The "liggghtsCommandModels"_liggghtsCommandModel.html keyword specifies a list
+of models that execute LIGGGHTS commands within a CFD run.
+
+"execute"_liggghtsCommandModel_execute.html,
+"readLiggghtsData"_liggghtsCommandModel_readLiggghtsData.html,
+"runLiggghts"_liggghtsCommandModel_runLiggghts.html,
+"writeLiggghts"_liggghtsCommandModel_writeLiggghts.html :tb(c=2,ea=c)
+
+
+6.9 Locate models :h4
+
+The "locateModel"_locateModel.html keyword entry specifies the model used to
+search the CFD mesh for the CFD cell corresponding to a given position.
+
+"engine"_locateModel_engineSearch.html,
+"engineIB"_locateModel_engineSearchIB.html,
+"engineSearchMany2Many"_locateModel_engineSearchMany2Many.html,
+"standard"_locateModel_standardSearch.html,
+"turboEngine"_locateModel_turboEngineSearch.html :tb(c=2,ea=c)
+
+
+6.10 Mesh motion models :h4
+
+The "meshMotionModel"_meshMotionModel.html keyword entry specifies the model
+used to manipulate the CFD mesh according to the DEM mesh motion.
+
+"noMeshMotion"_meshMotionModel_noMeshMotion.html :tb(c=2,ea=c)
+
+
+6.11 Momentum coupling models :h4
+
+The "momCoupleModels"_momCoupleModel.html keyword specifies a list of models
+used for momentum exchange between DEM and CFD simulation
+
+"explicitCouple"_momCoupleModel_explicitCouple.html,
+"implicitCouple"_momCoupleModel_implicitCouple.html,
+"off"_momCoupleModel_noCouple.html :tb(c=2,ea=c)
+
+
+6.12 Other force models :h4
+
+The {otherForceModels} keyword specifies a list of models that exert a force on
+each DEM particle.
+
+expParticleForces,
+gravity,
+weightSecondaryPhase :tb(c=2,ea=c)
+
+
+6.13 Probe models :h4
+
+The "probeModel"_probeModel.html keyword entry specifies the probing features in
+CFDEMcoupling simulations.
+
+"off"_probeModel_noProbe.html,
+"particleProbe"_probeModel_particleProbe.html :tb(c=2,ea=c)
+
+
+6.14 Region models :h4
+
+The "regionModel"_regionModel.html keyword entry specifies the model used to
+select a certain region for coupled simulations.
+
+"allRegion"_regionModel_allRegion.html :tb(c=2,ea=c)
+
+
+6.15 Smoothing models :h4
+
+The "smoothingModel"_smoothingModel.html keyword entry specifies the model for
+smoothing the exchange fields.
+
+"constDiffSmoothing"_smoothingModel_constDiffSmoothing.html,
+"off"_smoothingModel_noSmoothing.html,
+"temporalSmoothing"_smoothingModel_temporalSmoothing.html :tb(c=2,ea=c)
+
+
+6.16 Thermal conductivity models :h4
+
+The {thermCondModel} keyword entry specifies the model for the thermal
+conductivity of the fluid phase in the presence of particles.
+
+SyamlalThermCond,
+ZehnerSchluenderThermCond,
+off :tb(c=2,ea=c)
+
+
+6.17 Void fraction models :h4
+
+The "voidFractionModel"_voidFractionModel.html keyword entry specifies the model
+accounting for the volume of the particles in the CFD domain.
+
+"Gauss"_voidFractionModel_GaussVoidFraction.html,
+"IB"_voidFractionModel_IBVoidFraction.html,
+"bigParticle"_voidFractionModel_bigParticleVoidFraction.html,
+"centre"_voidFractionModel_centreVoidFraction.html,
+"divided"_voidFractionModel_dividedVoidFraction.html :tb(c=2,ea=c)
+

doc/CFDEMcoupling_solvers.txt

@@ -0,0 +1,19 @@
+"CFDEMproject Website"_lws - "Main Page"_main :c
+
+:link(lws,http://www.cfdem.com)
+:link(main,CFDEMcoupling_Manual.html)
+
+:line
+
+5. Solvers :h3,link(1_5)
+
+This section lists all CFDEMcoupling solvers alphabetically.
+
+"cfdemSolverIB"_cfdemSolverIB.html,
+"cfdemSolverMultiphase"_cfdemSolverMultiphase.html,
+"cfdemSolverPiso"_cfdemSolverPiso.html,
+"cfdemSolverPisoScalar"_cfdemSolverPisoScalar.html,
+"cfdemSolverRhoPimple"_cfdemSolverRhoPimple.html,
+"cfdemSolverRhoPimpleChem"_cfdemSolverRhoPimpleChem.html,
+"cfdemSolverRhoSimple"_cfdemSolverRhoSimple.html :tb(c=2,ea=c)
+

doc/CFDEMcoupling_tutorials.txt

@@ -0,0 +1,95 @@
+"CFDEMproject Website"_lws - "Main Page"_main :c
+
+:link(lws,http://www.cfdem.com)
+:link(main,CFDEMcoupling_Manual.html)
+
+:line
+
+3. Tutorials :link(1_3),h3
+
+[General:]
+
+Each solver of CFDEMcoupling comes with at least one tutorial example, showing
+its functionality and correct usage. Provided that the installation is correct,
+the tutorials can be run via "Allrun.sh" shell scripts. These scripts perform
+all necessary steps (pre-processing, run, post-processing, visualization).
+
+[Location:]
+
+The tutorials can be found in the directory $CFDEM_PROJECT_DIR/tutorials,
+which can be reached by typing {cfdemTut} in a CLI terminal.
+
+[Structure:]
+
+Each case is structured in a directory called "CFD" covering the CFD relevant
+settings and data, and a directory called "DEM" covering the DEM relevant
+settings and data. This allows to easily expand a pure CFD or DEM simulation
+case to a coupled case.
+
+[Usage:]
+
+Provided that the installation is correct, the tutorials can be run via
+"Allrun.sh" shell script, executed by typing "./Allrun.sh". The successful run
+of the script might need some third party software (e.g. octave, evince, etc.).
+
+[Settings:]
+
+The main settings of a simulation are done via dictionaries:
+
+The DEM setup of each case is defined by a "LIGGGHTS"_lig input file located in
+$caseDir/DEM (e.g. in.liggghts_init). For details on the LIGGGHTS setup,
+please have a look at the LIGGGHTS manual.
+
+<!-- HTML_ONLY -->
+Standard CFD settings are defined in $caseDir/CFD/constant (e.g.
+transportProperties, RASproperties, etc.) and $caseDir/CFD/system (e.g.
+fvSchemes, controlDict). You can find more information on that in
+"OpenFOAM&reg;"_of (*) documentations.
+
+:link(of,http://www.openfoam.org)
+
+<!-- END_HTML_ONLY -->
+
+<!-- RST
+
+Standard CFD settings are defined in $caseDir/CFD/constant (e.g.
+transportProperties, RASproperties, etc.) and $caseDir/CFD/system (e.g.
+fvSchemes, controlDict). You can find more information on that in
+OpenFOAM\ |reg|\ (*) documentations.
+
+.. |reg|    unicode:: U+000AE .. REGISTERED SIGN
+
+END_RST -->.
+
+Settings of the coupling routines are defined in
+$caseDir/CFD/constant/"couplingProperies"_CFDEMcoupling_dicts.html#couplingProperties
+(e.g. force models, data exchange model, etc.) and
+$caseDir/CFD/constant/"liggghtsCommands"_CFDEMcoupling_dicts.html#liggghtsCommands
+(allows to execute a LIGGGHTS command during a coupled simulation).
+
+<!-- HTML_ONLY -->
+NOTE:
+(*) This offering is not approved or endorsed by OpenCFD Limited, producer and
+distributor of the OpenFOAM software via www.openfoam.com, and owner of the
+OPENFOAM&reg; and OpenCFD&reg; trade marks.
+OPENFOAM&reg; is a registered trade mark of OpenCFD Limited, producer and
+distributor of the OpenFOAM software via www.openfoam.com.
+<!-- END_HTML_ONLY -->
+
+<!-- RST
+
+.. note::
+
+   (*) This offering is not approved or endorsed by OpenCFD Limited, producer
+   and distributor of the OpenFOAM software via www.openfoam.com, and owner of
+   the OPENFOAM\ |reg| and OpenCFD\ |reg| trade marks.
+   OPENFOAM\ |reg| is a registered trade mark of OpenCFD Limited, producer and
+   distributor of the OpenFOAM software via www.openfoam.com.
+
+.. |reg|    unicode:: U+000AE .. REGISTERED SIGN
+
+END_RST -->
+
+:link(lig,http://www.cfdem.com)
+
+

doc/IOModel.html

@@ -1,40 +0,0 @@
-<HTML>
-<CENTER><A HREF = "http://www.cfdem.com">CFDEMproject WWW Site</A> - <A HREF = "CFDEMcoupling_Manual.html#comm">CFDEM Commands</A> 
-</CENTER>
-
-
-
-
-<HR>
-
-<H3>IOModel command 
-</H3>
-<P><B>Syntax:</B>
-</P>
-<P>Defined in couplingProperties dictionary.
-</P>
-<PRE>IOModel "model"; 
-</PRE>
-<UL><LI>model = name of IO-model to be applied 
-</UL>
-<P><B>Examples:</B>
-</P>
-<P>IOModel "off";
-</P>
-<P>Note: This examples list might not be complete - please look for other models (IOModel_XY) in this documentation.
-</P>
-<P><B>Description:</B>
-</P>
-<P>The IO-model is the base class to write data (e.g. particle properties) to files.
-</P>
-<P><B>Restrictions:</B>
-</P>
-<P>none.
-</P>
-<P><B>Related commands:</B>
-</P>
-<P>Note: This examples list may be incomplete - please look for other models (IOModel_XY) in this documentation.
-</P>
-<P><B>Default:</B> none.
-</P>
-</HTML>

doc/IOModel.txt

@@ -1,7 +1,7 @@
-"CFDEMproject WWW Site"_lws - "CFDEM Commands"_lc :c
+"CFDEMproject Website"_lws - "Main Page"_main :c
 
 :link(lws,http://www.cfdem.com)
-:link(lc,CFDEMcoupling_Manual.html#comm)
+:link(main,CFDEMcoupling_Manual.html)
 
 :line
 
@@ -9,28 +9,34 @@ IOModel command :h3
 
 [Syntax:]
 
-Defined in couplingProperties dictionary.
+Defined in "couplingProperties"_CFDEMcoupling_dicts.html#couplingProperties
+dictionary.
 
-IOModel "model"; :pre
+IOModel model; :pre
 
 model = name of IO-model to be applied :ul
 
 [Examples:]
 
-IOModel "off";
+IOModel off; :pre
 
-Note: This examples list might not be complete - please look for other models (IOModel_XY) in this documentation.
+NOTE: This examples list might not be complete - please look for other IO models
+in this documentation.
 
 [Description:]
 
-The IO-model is the base class to write data (e.g. particle properties) to files.
+{IOModel} is the base class to write data (e.g. particle properties) to files.
 
 [Restrictions:]
 
-none.
+none
 
 [Related commands:]
 
-Note: This examples list may be incomplete - please look for other models (IOModel_XY) in this documentation.
+"IOModel basicIO"_IOModel_basicIO.html, "IOModel off"_IOModel_noIO.html,
+"IOModel sophIO"_IOModel_sophIO.html, "IOModel trackIO"_IOModel_trackIO.html
+
+[Default:]
+
+none
 
-[Default:] none.

doc/IOModel_basicIO.html

@@ -1,32 +0,0 @@
-<HTML>
-<CENTER><A HREF = "http://www.cfdem.com">CFDEMproject WWW Site</A> - <A HREF = "CFDEMcoupling_Manual.html#comm">CFDEM Commands</A> 
-</CENTER>
-
-
-
-
-<HR>
-
-<H3>IOModel_basicIO command 
-</H3>
-<P><B>Syntax:</B>
-</P>
-<P>Defined in couplingProperties dictionary.
-</P>
-<PRE>IOModel "basicIO"; 
-</PRE>
-<P><B>Examples:</B>
-</P>
-<PRE>IOModel "basicIO"; 
-</PRE>
-<P><B>Description:</B>
-</P>
-<P>The basic IO-model writes particle positions velocities and radii to files. The default output directory ($casePath/CFD/proc*/time/lagrangian). Using the keyword "serialOutput;" in couplingProperties the IO is serial to the directory ($casePath/CFD/lagrangian). In the latter case only the data on processor 0 is written! Data is written every write time of the CFD simulation.
-</P>
-<P><B>Restrictions:</B> None.
-</P>
-<P><B>Related commands:</B>
-</P>
-<P><A HREF = "IOModel.html">IOModel</A>
-</P>
-</HTML>

doc/IOModel_basicIO.txt

@@ -1,27 +1,39 @@
-"CFDEMproject WWW Site"_lws - "CFDEM Commands"_lc :c
+"CFDEMproject Website"_lws - "Main Page"_main :c
 
 :link(lws,http://www.cfdem.com)
-:link(lc,CFDEMcoupling_Manual.html#comm)
+:link(main,CFDEMcoupling_Manual.html)
 
 :line
 
-IOModel_basicIO command :h3
+IOModel basicIO command :h3
 
 [Syntax:]
 
-Defined in couplingProperties dictionary.
+Defined in "couplingProperties"_CFDEMcoupling_dicts.html#couplingProperties
+dictionary.
 
-IOModel "basicIO"; :pre
+IOModel basicIO; :pre
 
 [Examples:]
 
-IOModel "basicIO"; :pre
+IOModel basicIO;
+serialOutput; :pre
 
 [Description:]
 
-The basic IO-model writes particle positions velocities and radii to files. The default output directory ($casePath/CFD/proc*/time/lagrangian). Using the keyword "serialOutput;" in couplingProperties the IO is serial to the directory ($casePath/CFD/lagrangian). In the latter case only the data on processor 0 is written! Data is written every write time of the CFD simulation.
+The {basicIO} model writes particle positions, velocities and radii to files.
+The default output directory is {$casePath/CFD/proc*/time/lagrangian}.
 
-[Restrictions:] None.
+Using the keyword {serialOutput;} in the
+"couplingProperties"_CFDEMcoupling_dicts.html#couplingProperties dictionary,
+the IO is serial to the directory {$casePath/CFD/lagrangian}. In this case
+only the data on processor 0 is written!
+
+Data is written every write time of the CFD simulation.
+
+[Restrictions:]
+
+none
 
 [Related commands:]
 

doc/IOModel_noIO.html

@@ -1,32 +0,0 @@
-<HTML>
-<CENTER><A HREF = "http://www.cfdem.com">CFDEMproject WWW Site</A> - <A HREF = "CFDEMcoupling_Manual.html#comm">CFDEM Commands</A> 
-</CENTER>
-
-
-
-
-<HR>
-
-<H3>IOModel_noIO command 
-</H3>
-<P><B>Syntax:</B>
-</P>
-<P>Defined in couplingProperties dictionary.
-</P>
-<PRE>IOModel "off"; 
-</PRE>
-<P><B>Examples:</B>
-</P>
-<PRE>IOModel "off"; 
-</PRE>
-<P><B>Description:</B>
-</P>
-<P>The noIO-model is a dummy IO model.
-</P>
-<P><B>Restrictions:</B> None.
-</P>
-<P><B>Related commands:</B>
-</P>
-<P><A HREF = "IOModel.html">IOModel</A>
-</P>
-</HTML>

doc/IOModel_noIO.txt

@@ -1,27 +1,30 @@
-"CFDEMproject WWW Site"_lws - "CFDEM Commands"_lc :c
+"CFDEMproject Website"_lws - "Main Page"_main :c
 
 :link(lws,http://www.cfdem.com)
-:link(lc,CFDEMcoupling_Manual.html#comm)
+:link(main,CFDEMcoupling_Manual.html)
 
 :line
 
-IOModel_noIO command :h3
+IOModel off command :h3
 
 [Syntax:]
 
-Defined in couplingProperties dictionary.
+Defined in "couplingProperties"_CFDEMcoupling_dicts.html#couplingProperties
+dictionary.
 
-IOModel "off"; :pre
+IOModel off; :pre
 
 [Examples:]
 
-IOModel "off"; :pre
+IOModel off; :pre
 
 [Description:]
 
-The noIO-model is a dummy IO model.
+This IOModel produces no output.
 
-[Restrictions:] None.
+[Restrictions:]
+
+none
 
 [Related commands:]
 

doc/IOModel_sophIO.html

@@ -1,32 +0,0 @@
-<HTML>
-<CENTER><A HREF = "http://www.cfdem.com">CFDEMproject WWW Site</A> - <A HREF = "CFDEMcoupling_Manual.html#comm">CFDEM Commands</A> 
-</CENTER>
-
-
-
-
-<HR>
-
-<H3>IOModel_sophIO command 
-</H3>
-<P><B>Syntax:</B>
-</P>
-<P>Defined in couplingProperties dictionary.
-</P>
-<PRE>IOModel "sophIO"; 
-</PRE>
-<P><B>Examples:</B>
-</P>
-<PRE>IOModel "sophIO"; 
-</PRE>
-<P><B>Description:</B>
-</P>
-<P>The sophIO-model is based on basicIO model and additionally writes voidfraction, implicit forces, explicit forces. Data is written every write time of the CFD simulation.
-</P>
-<P><B>Restrictions:</B> None.
-</P>
-<P><B>Related commands:</B>
-</P>
-<P><A HREF = "IOModel.html">IOModel</A>
-</P>
-</HTML>

doc/IOModel_sophIO.txt

@@ -1,29 +1,35 @@
-"CFDEMproject WWW Site"_lws - "CFDEM Commands"_lc :c
+"CFDEMproject Website"_lws - "Main Page"_main :c
 
 :link(lws,http://www.cfdem.com)
-:link(lc,CFDEMcoupling_Manual.html#comm)
+:link(main,CFDEMcoupling_Manual.html)
 
 :line
 
-IOModel_sophIO command :h3
+IOModel sophIO command :h3
 
 [Syntax:]
 
-Defined in couplingProperties dictionary.
+Defined in "couplingProperties"_CFDEMcoupling_dicts.html#couplingProperties
+dictionary.
 
-IOModel "sophIO"; :pre
+IOModel sophIO; :pre
 
 [Examples:]
 
-IOModel "sophIO"; :pre
+IOModel sophIO; :pre
 
 [Description:]
 
-The sophIO-model is based on basicIO model and additionally writes voidfraction, implicit forces, explicit forces. Data is written every write time of the CFD simulation.
+The {sophIO} model is based on the "basicIO"_IOModel_basicIO.html model and
+additionally writes void fraction, implicit forces and explicit forces.
 
-[Restrictions:] None.
+Data is written every write time of the CFD simulation.
+
+[Restrictions:]
+
+none
 
 [Related commands:]
 
-"IOModel"_IOModel.html
+"IOModel"_IOModel.html, "IOModel basicIO"_IOModel_basicIO.html
 

doc/IOModel_trackIO.html

@@ -1,32 +0,0 @@
-<HTML>
-<CENTER><A HREF = "http://www.cfdem.com">CFDEMproject WWW Site</A> - <A HREF = "CFDEMcoupling_Manual.html#comm">CFDEM Commands</A> 
-</CENTER>
-
-
-
-
-<HR>
-
-<H3>IOModel_trackIO command 
-</H3>
-<P><B>Syntax:</B>
-</P>
-<P>Defined in couplingProperties dictionary.
-</P>
-<PRE>IOModel "trackIO"; 
-</PRE>
-<P><B>Examples:</B>
-</P>
-<PRE>IOModel "trackIO"; 
-</PRE>
-<P><B>Description:</B>
-</P>
-<P>The trackIO-model is based on sophIO model and additionally writes fields necessary to use the particleTracks utility (which needs a particleTrackProperties file in the constant dir). The particleTracks utility generates tracks of the particles and writes them to a vtk file.
-</P>
-<P><B>Restrictions:</B> None.
-</P>
-<P><B>Related commands:</B>
-</P>
-<P><A HREF = "IOModel.html">IOModel</A>
-</P>
-</HTML>

doc/IOModel_trackIO.txt

@@ -1,29 +1,35 @@
-"CFDEMproject WWW Site"_lws - "CFDEM Commands"_lc :c
+"CFDEMproject Website"_lws - "Main Page"_main :c
 
 :link(lws,http://www.cfdem.com)
-:link(lc,CFDEMcoupling_Manual.html#comm)
+:link(main,CFDEMcoupling_Manual.html)
 
 :line
 
-IOModel_trackIO command :h3
+IOModel trackIO command :h3
 
 [Syntax:]
 
-Defined in couplingProperties dictionary.
+Defined in "couplingProperties"_CFDEMcoupling_dicts.html#couplingProperties
+dictionary.
 
-IOModel "trackIO"; :pre
+IOModel trackIO; :pre
 
 [Examples:]
 
-IOModel "trackIO"; :pre
+IOModel trackIO; :pre
 
 [Description:]
 
-The trackIO-model is based on sophIO model and additionally writes fields necessary to use the particleTracks utility (which needs a particleTrackProperties file in the constant dir). The particleTracks utility generates tracks of the particles and writes them to a vtk file.
+The {trackIO} model is based on the "sophIO"_IOModel_sophIO.html model and
+additionally writes fields necessary to use the particleTracks utility (which
+needs a particleTrackProperties file in the constant dir). The particleTracks
+utility generates tracks of the particles and writes them to a VTK file.
 
-[Restrictions:] None.
+[Restrictions:]
+
+none
 
 [Related commands:]
 
-"IOModel"_IOModel.html
+"IOModel"_IOModel.html, "IOModel sophIO"_IOModel_sophIO.html
 

doc/Makefile

@@ -0,0 +1,189 @@
+# Makefile for Sphinx documentation
+#
+
+# You can set these variables from the command line.
+SPHINXOPTS    =
+SPHINXBUILD   = sphinx-build
+#SPHINXBUILD   = /usr/share/sphinx/scripts/python3/sphinx-build
+PAPER         =
+BUILDDIR      = _build
+TXT2RST       = txt2rst
+
+SOURCES=$(wildcard *.txt)
+OBJECTS=$(SOURCES:%.txt=%.rst)
+
+# User-friendly check for sphinx-build
+ifeq ($(shell which $(SPHINXBUILD) >/dev/null 2>&1; echo $$?), 1)
+$(error The '$(SPHINXBUILD)' command was not found. Make sure you have Sphinx installed, then set the SPHINXBUILD environment variable to point to the full path of the '$(SPHINXBUILD)' executable. Alternatively you can add the directory with the executable to your PATH. If you don't have Sphinx installed, grab it from http://sphinx-doc.org/)
+endif
+
+# Internal variables.
+PAPEROPT_a4     = -D latex_paper_size=a4
+PAPEROPT_letter = -D latex_paper_size=letter
+ALLSPHINXOPTS   = -d $(BUILDDIR)/doctrees $(PAPEROPT_$(PAPER)) $(SPHINXOPTS) .
+# the i18n builder cannot share the environment and doctrees with the others
+I18NSPHINXOPTS  = $(PAPEROPT_$(PAPER)) $(SPHINXOPTS) .
+
+.PHONY: help clean html dirhtml singlehtml pickle json htmlhelp qthelp devhelp epub latex latexpdf text man changes linkcheck doctest gettext
+
+help:
+	@echo "Please use \`make <target>' where <target> is one of"
+	@echo "  html       to make standalone HTML files"
+	@echo "  dirhtml    to make HTML files named index.html in directories"
+	@echo "  singlehtml to make a single large HTML file"
+	@echo "  pickle     to make pickle files"
+	@echo "  json       to make JSON files"
+	@echo "  htmlhelp   to make HTML files and a HTML help project"
+	@echo "  qthelp     to make HTML files and a qthelp project"
+	@echo "  devhelp    to make HTML files and a Devhelp project"
+	@echo "  epub       to make an epub"
+	@echo "  latex      to make LaTeX files, you can set PAPER=a4 or PAPER=letter"
+	@echo "  latexpdf   to make LaTeX files and run them through pdflatex"
+	@echo "  latexpdfja to make LaTeX files and run them through platex/dvipdfmx"
+	@echo "  text       to make text files"
+	@echo "  man        to make manual pages"
+	@echo "  texinfo    to make Texinfo files"
+	@echo "  info       to make Texinfo files and run them through makeinfo"
+	@echo "  gettext    to make PO message catalogs"
+	@echo "  changes    to make an overview of all changed/added/deprecated items"
+	@echo "  xml        to make Docutils-native XML files"
+	@echo "  pseudoxml  to make pseudoxml-XML files for display purposes"
+	@echo "  linkcheck  to check all external links for integrity"
+	@echo "  doctest    to run all doctests embedded in the documentation (if enabled)"
+
+clean:
+	rm -rf $(BUILDDIR)/*
+
+html: $(OBJECTS)
+	$(SPHINXBUILD) -b html $(ALLSPHINXOPTS) $(BUILDDIR)/html
+	@echo
+	@echo "Build finished. The HTML pages are in $(BUILDDIR)/html."
+	cp -r $(BUILDDIR)/html/* .
+	@echo "Copied files back to current folder"
+
+dirhtml:
+	$(SPHINXBUILD) -b dirhtml $(ALLSPHINXOPTS) $(BUILDDIR)/dirhtml
+	@echo
+	@echo "Build finished. The HTML pages are in $(BUILDDIR)/dirhtml."
+
+singlehtml:
+	$(SPHINXBUILD) -b singlehtml $(ALLSPHINXOPTS) $(BUILDDIR)/singlehtml
+	@echo
+	@echo "Build finished. The HTML page is in $(BUILDDIR)/singlehtml."
+
+pickle:
+	$(SPHINXBUILD) -b pickle $(ALLSPHINXOPTS) $(BUILDDIR)/pickle
+	@echo
+	@echo "Build finished; now you can process the pickle files."
+
+json:
+	$(SPHINXBUILD) -b json $(ALLSPHINXOPTS) $(BUILDDIR)/json
+	@echo
+	@echo "Build finished; now you can process the JSON files."
+
+htmlhelp:
+	$(SPHINXBUILD) -b htmlhelp $(ALLSPHINXOPTS) $(BUILDDIR)/htmlhelp
+	@echo
+	@echo "Build finished; now you can run HTML Help Workshop with the" \
+	      ".hhp project file in $(BUILDDIR)/htmlhelp."
+
+qthelp:
+	$(SPHINXBUILD) -b qthelp $(ALLSPHINXOPTS) $(BUILDDIR)/qthelp
+	@echo
+	@echo "Build finished; now you can run "qcollectiongenerator" with the" \
+	      ".qhcp project file in $(BUILDDIR)/qthelp, like this:"
+	@echo "# qcollectiongenerator $(BUILDDIR)/qthelp/LIGGGHTS.qhcp"
+	@echo "To view the help file:"
+	@echo "# assistant -collectionFile $(BUILDDIR)/qthelp/LIGGGHTS.qhc"
+
+devhelp:
+	$(SPHINXBUILD) -b devhelp $(ALLSPHINXOPTS) $(BUILDDIR)/devhelp
+	@echo
+	@echo "Build finished."
+	@echo "To view the help file:"
+	@echo "# mkdir -p $$HOME/.local/share/devhelp/LIGGGHTS"
+	@echo "# ln -s $(BUILDDIR)/devhelp $$HOME/.local/share/devhelp/LIGGGHTS"
+	@echo "# devhelp"
+
+epub:
+	$(SPHINXBUILD) -b epub $(ALLSPHINXOPTS) $(BUILDDIR)/epub
+	@echo
+	@echo "Build finished. The epub file is in $(BUILDDIR)/epub."
+
+latex:
+	$(SPHINXBUILD) -b latex $(ALLSPHINXOPTS) $(BUILDDIR)/latex
+	@echo
+	@echo "Build finished; the LaTeX files are in $(BUILDDIR)/latex."
+	@echo "Run \`make' in that directory to run these through (pdf)latex" \
+	      "(use \`make latexpdf' here to do that automatically)."
+
+latexpdf:
+	$(SPHINXBUILD) -b latex $(ALLSPHINXOPTS) $(BUILDDIR)/latex
+	@echo "Running LaTeX files through pdflatex..."
+	$(MAKE) -C $(BUILDDIR)/latex all-pdf
+	@echo "pdflatex finished; the PDF files are in $(BUILDDIR)/latex."
+
+latexpdfja:
+	$(SPHINXBUILD) -b latex $(ALLSPHINXOPTS) $(BUILDDIR)/latex
+	@echo "Running LaTeX files through platex and dvipdfmx..."
+	$(MAKE) -C $(BUILDDIR)/latex all-pdf-ja
+	@echo "pdflatex finished; the PDF files are in $(BUILDDIR)/latex."
+
+text:
+	$(SPHINXBUILD) -b text $(ALLSPHINXOPTS) $(BUILDDIR)/text
+	@echo
+	@echo "Build finished. The text files are in $(BUILDDIR)/text."
+
+man:
+	$(SPHINXBUILD) -b man $(ALLSPHINXOPTS) $(BUILDDIR)/man
+	@echo
+	@echo "Build finished. The manual pages are in $(BUILDDIR)/man."
+
+texinfo:
+	$(SPHINXBUILD) -b texinfo $(ALLSPHINXOPTS) $(BUILDDIR)/texinfo
+	@echo
+	@echo "Build finished. The Texinfo files are in $(BUILDDIR)/texinfo."
+	@echo "Run \`make' in that directory to run these through makeinfo" \
+	      "(use \`make info' here to do that automatically)."
+
+info:
+	$(SPHINXBUILD) -b texinfo $(ALLSPHINXOPTS) $(BUILDDIR)/texinfo
+	@echo "Running Texinfo files through makeinfo..."
+	make -C $(BUILDDIR)/texinfo info
+	@echo "makeinfo finished; the Info files are in $(BUILDDIR)/texinfo."
+
+gettext:
+	$(SPHINXBUILD) -b gettext $(I18NSPHINXOPTS) $(BUILDDIR)/locale
+	@echo
+	@echo "Build finished. The message catalogs are in $(BUILDDIR)/locale."
+
+changes:
+	$(SPHINXBUILD) -b changes $(ALLSPHINXOPTS) $(BUILDDIR)/changes
+	@echo
+	@echo "The overview file is in $(BUILDDIR)/changes."
+
+linkcheck:
+	$(SPHINXBUILD) -b linkcheck $(ALLSPHINXOPTS) $(BUILDDIR)/linkcheck
+	@echo
+	@echo "Link check complete; look for any errors in the above output " \
+	      "or in $(BUILDDIR)/linkcheck/output.txt."
+
+doctest:
+	$(SPHINXBUILD) -b doctest $(ALLSPHINXOPTS) $(BUILDDIR)/doctest
+	@echo "Testing of doctests in the sources finished, look at the " \
+	      "results in $(BUILDDIR)/doctest/output.txt."
+
+xml:
+	$(SPHINXBUILD) -b xml $(ALLSPHINXOPTS) $(BUILDDIR)/xml
+	@echo
+	@echo "Build finished. The XML files are in $(BUILDDIR)/xml."
+
+pseudoxml:
+	$(SPHINXBUILD) -b pseudoxml $(ALLSPHINXOPTS) $(BUILDDIR)/pseudoxml
+	@echo
+	@echo "Build finished. The pseudo-XML files are in $(BUILDDIR)/pseudoxml."
+
+%.rst : %.txt
+	$(TXT2RST) $< > $@
+
+rst: $(OBJECTS) ;

doc/SCcontent/individual_commands.txt

@@ -1,4 +0,0 @@
-1.6 Models/Solvers :h4,link(cmd_5),link(comm)
-
-This section lists all CFDEMcoupling sub-models and solvers alphabetically, with a separate
-listing below of styles within certain commands.

doc/_themes/lammps_theme/LICENSE

@@ -0,0 +1,20 @@
+The MIT License (MIT)
+
+Copyright (c) 2013 Dave Snider
+
+Permission is hereby granted, free of charge, to any person obtaining a copy of
+this software and associated documentation files (the "Software"), to deal in
+the Software without restriction, including without limitation the rights to
+use, copy, modify, merge, publish, distribute, sublicense, and/or sell copies of
+the Software, and to permit persons to whom the Software is furnished to do so,
+subject to the following conditions:
+
+The above copyright notice and this permission notice shall be included in all
+copies or substantial portions of the Software.
+
+THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR
+IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, FITNESS
+FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE AUTHORS OR
+COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER LIABILITY, WHETHER
+IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, OUT OF OR IN
+CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE SOFTWARE.

doc/_themes/lammps_theme/README

@@ -0,0 +1,3 @@
+This theme is derived from Dave Snider's Read-The-Docs theme for Sphinx.
+https://github.com/snide/sphinx_rtd_theme
+It contains minor modifications for the LAMMPS documentation.

doc/_themes/lammps_theme/__init__.py

@@ -0,0 +1,17 @@
+"""Sphinx ReadTheDocs theme.
+
+From https://github.com/ryan-roemer/sphinx-bootstrap-theme.
+
+"""
+import os
+
+VERSION = (0, 1, 8)
+
+__version__ = ".".join(str(v) for v in VERSION)
+__version_full__ = __version__
+
+
+def get_html_theme_path():
+    """Return list of HTML theme paths."""
+    cur_dir = os.path.abspath(os.path.dirname(os.path.dirname(__file__)))
+    return cur_dir

doc/_themes/lammps_theme/static/css/badge_only.css

@@ -0,0 +1,226 @@
+@charset "UTF-8";
+.fa:before {
+  -webkit-font-smoothing: antialiased;
+}
+
+.clearfix {
+  *zoom: 1;
+}
+.clearfix:before, .clearfix:after {
+  display: table;
+  content: "";
+}
+.clearfix:after {
+  clear: both;
+}
+
+@font-face {
+  font-family: FontAwesome;
+  font-weight: normal;
+  font-style: normal;
+  src: url("../font/fontawesome_webfont.eot");
+  src: url("../font/fontawesome_webfont.eot?#iefix") format("embedded-opentype"), url("../font/fontawesome_webfont.woff") format("woff"), url("../font/fontawesome_webfont.ttf") format("truetype"), url("../font/fontawesome_webfont.svg#FontAwesome") format("svg");
+}
+.fa:before {
+  display: inline-block;
+  font-family: FontAwesome;
+  font-style: normal;
+  font-weight: normal;
+  line-height: 1;
+  text-decoration: inherit;
+}
+
+a .fa {
+  display: inline-block;
+  text-decoration: inherit;
+}
+
+li .fa {
+  display: inline-block;
+}
+li .fa-large:before,
+li .fa-large:before {
+  /* 1.5 increased font size for fa-large * 1.25 width */
+  width: 1.875em;
+}
+
+ul.fas {
+  list-style-type: none;
+  margin-left: 2em;
+  text-indent: -0.8em;
+}
+ul.fas li .fa {
+  width: 0.8em;
+}
+ul.fas li .fa-large:before,
+ul.fas li .fa-large:before {
+  /* 1.5 increased font size for fa-large * 1.25 width */
+  vertical-align: baseline;
+}
+
+.fa-book:before {
+  content: "";
+}
+
+.icon-book:before {
+  content: "";
+}
+
+.fa-caret-down:before {
+  content: "";
+}
+
+.icon-caret-down:before {
+  content: "";
+}
+
+.fa-caret-up:before {
+  content: "";
+}
+
+.icon-caret-up:before {
+  content: "";
+}
+
+.fa-caret-left:before {
+  content: "";
+}
+
+.icon-caret-left:before {
+  content: "";
+}
+
+.fa-caret-right:before {
+  content: "";
+}
+
+.icon-caret-right:before {
+  content: "";
+}
+
+.rst-versions {
+  position: fixed;
+  bottom: 0;
+  left: 0;
+  width: 300px;
+  color: #fcfcfc;
+  background: #1f1d1d;
+  border-top: solid 10px #343131;
+  font-family: "Lato", "proxima-nova", "Helvetica Neue", Arial, sans-serif;
+  z-index: 400;
+}
+.rst-versions a {
+  color: #2980B9;
+  text-decoration: none;
+}
+.rst-versions .rst-badge-small {
+  display: none;
+}
+.rst-versions .rst-current-version {
+  padding: 12px;
+  background-color: #272525;
+  display: block;
+  text-align: right;
+  font-size: 90%;
+  cursor: pointer;
+  color: #27AE60;
+  *zoom: 1;
+}
+.rst-versions .rst-current-version:before, .rst-versions .rst-current-version:after {
+  display: table;
+  content: "";
+}
+.rst-versions .rst-current-version:after {
+  clear: both;
+}
+.rst-versions .rst-current-version .fa {
+  color: #fcfcfc;
+}
+.rst-versions .rst-current-version .fa-book {
+  float: left;
+}
+.rst-versions .rst-current-version .icon-book {
+  float: left;
+}
+.rst-versions .rst-current-version.rst-out-of-date {
+  background-color: #E74C3C;
+  color: #fff;
+}
+.rst-versions .rst-current-version.rst-active-old-version {
+  background-color: #F1C40F;
+  color: #000;
+}
+.rst-versions.shift-up .rst-other-versions {
+  display: block;
+}
+.rst-versions .rst-other-versions {
+  font-size: 90%;
+  padding: 12px;
+  color: gray;
+  display: none;
+}
+.rst-versions .rst-other-versions hr {
+  display: block;
+  height: 1px;
+  border: 0;
+  margin: 20px 0;
+  padding: 0;
+  border-top: solid 1px #413d3d;
+}
+.rst-versions .rst-other-versions dd {
+  display: inline-block;
+  margin: 0;
+}
+.rst-versions .rst-other-versions dd a {
+  display: inline-block;
+  padding: 6px;
+  color: #fcfcfc;
+}
+.rst-versions.rst-badge {
+  width: auto;
+  bottom: 20px;
+  right: 20px;
+  left: auto;
+  border: none;
+  max-width: 300px;
+}
+.rst-versions.rst-badge .icon-book {
+  float: none;
+}
+.rst-versions.rst-badge .fa-book {
+  float: none;
+}
+.rst-versions.rst-badge.shift-up .rst-current-version {
+  text-align: right;
+}
+.rst-versions.rst-badge.shift-up .rst-current-version .fa-book {
+  float: left;
+}
+.rst-versions.rst-badge.shift-up .rst-current-version .icon-book {
+  float: left;
+}
+.rst-versions.rst-badge .rst-current-version {
+  width: auto;
+  height: 30px;
+  line-height: 30px;
+  padding: 0 6px;
+  display: block;
+  text-align: center;
+}
+
+@media screen and (max-width: 768px) {
+  .rst-versions {
+    width: 85%;
+    display: none;
+  }
+  .rst-versions.shift {
+    display: block;
+  }
+
+  img {
+    width: 100%;
+    height: auto;
+  }
+}
+
+/*# sourceMappingURL=badge_only.css.map */

doc/_themes/lammps_theme/static/css/badge_only.css.map

@@ -0,0 +1,7 @@
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