release on 2012-10-23_10-36-40

README

@@ -1,82 +0,0 @@
-/*---------------------------------------------------------------------------*\
-    CFDEMcoupling - Open Source CFD-DEM coupling
-
-    CFDEMcoupling is part of the CFDEMproject
-    www.cfdem.com
-                                Christoph Goniva, christoph.goniva@cfdem.com
-                                Copyright 2009-2012 JKU Linz
-                                Copyright 2012-     DCS Computing GmbH, Linz
--------------------------------------------------------------------------------
-License
-    This file is part of CFDEMcoupling.
-
-    CFDEMcoupling 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.
-
-    CFDEMcoupling 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 CFDEMcoupling; if not, write to the Free Software Foundation,
-    Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
-
-Description
-    This code is designed to realize coupled CFD-DEM simulations using LIGGGHTS
-    and OpenFOAM. Note: this code is not part of OpenFOAM (see DISCLAIMER).
-\*---------------------------------------------------------------------------*/
-
-
-CFDEM coupling provides an open source parallel coupled CFD-DEM framework 
-combining the strengths of LIGGGHTS DEM code and the Open Source 
-CFD package OpenFOAM(R)(*). The CFDEMcoupling toolbox allows to expand 
-standard CFD solvers of OpenFOAM(R)(*) to include a coupling to the DEM 
-code LIGGGHTS. 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.
-
-The coupled solvers run fully parallel on distributed-memory clusters. 
-
-Features are:
-
-- its modular approach allows users to easily implement new models
-- its MPI parallelization enables to use it for large scale problems
-- the "forum"_lws on CFD-DEM gives the possibility to exchange with other 
-  users / developers
-- the use of GIT allows to easily update to the latest version
-- basic documentation is provided
-
-The file structure:
-
-- "src" directory including the source files of the coupling toolbox and models
-- "applications" directory including the solver files for coupled CFD-DEM simulations
-- "doc" directory including the documentation of CFDEMcoupling
-- "tutorials" directory including basic tutorial cases showing the functionality
-
-
-
-Details on installation are given on the "www.cfdem.com"
-
-The functionality of this CFD-DEM framwork is described via "tutorial cases" 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
-
-
-\*---------------------------------------------------------------------------*/
-(*) "OpenFOAM(R)"_of is a registered trade mark of Silicon Graphics 
-International Corp. This offering is not affiliated, approved or endorsed by 
-Silicon Graphics International Corp., the producer of the OpenFOAM(R) software 
-and owner of the OpenFOAM(R) trademark.
-\*---------------------------------------------------------------------------*/

applications/solvers/cfdemSolverIB/cfdemSolverIB.C

@@ -93,7 +93,7 @@ int main(int argc, char *argv[])
 
             fvVectorMatrix UEqn
             (
-                fvm::ddt(U)
+                fvm::ddt(voidfraction,U)
               + fvm::div(phi, U)
               + turbulence->divDevReff(U)
             );
@@ -123,7 +123,7 @@ int main(int argc, char *argv[])
 
                     fvScalarMatrix pEqn
                     (
-                        fvm::laplacian(rUA, p) == fvc::div(phi)
+                        fvm::laplacian(rUA, p) == fvc::div(phi) + fvc::ddt(voidfraction)
                     );
 
                     pEqn.setReference(pRefCell, pRefValue);
@@ -157,7 +157,8 @@ int main(int argc, char *argv[])
         turbulence->correct();
 
         Info << "particleCloud.calcVelocityCorrection() " << endl;
-        particleCloud.calcVelocityCorrection(p,U,phiIB);
+        volScalarField voidfractionNext=mesh.lookupObject<volScalarField>("voidfractionNext");
+        particleCloud.calcVelocityCorrection(p,U,phiIB,voidfractionNext);
 
         runTime.write();
 

applications/solvers/cfdemSolverPiso/cfdemSolverPiso.C

@@ -80,7 +80,7 @@ int main(int argc, char *argv[])
         #include "solverDebugInfo.H"
         particleCloud.clockM().stop("Coupling");
 
-        particleCloud.clockM().start(10,"Flow");
+        particleCloud.clockM().start(16,"Flow");
         // Pressure-velocity PISO corrector
         {
             // Momentum predictor
@@ -94,16 +94,15 @@ int main(int argc, char *argv[])
               - fvm::Sp(Ksl/rho,U)
             );
 
+            if (modelType=="B")
+                UEqn == - fvc::grad(p) + Ksl/rho*Us;
+            else
+                UEqn == - voidfraction*fvc::grad(p) + Ksl/rho*Us;
+
             UEqn.relax();
 
             if (momentumPredictor)
-            {
+                solve(UEqn);
-                //solve UEqn
-                if (modelType=="B")
-                    solve(UEqn == - fvc::grad(p) + Ksl/rho*Us);
-                else
-                    solve(UEqn == - voidfraction*fvc::grad(p) + Ksl/rho*Us);
-            }
 
             // --- PISO loop
 
@@ -114,15 +113,15 @@ int main(int argc, char *argv[])
             {
                 volScalarField rUA = 1.0/UEqn.A();
                 surfaceScalarField rUAf("(1|A(U))", fvc::interpolate(rUA));
+                volScalarField rUAvoidfraction("(voidfraction2|A(U))",rUA*voidfraction);
 
                 U = rUA*UEqn.H();
 
-                phi = fvc::interpolate(U*voidfraction) & mesh.Sf();
+                phi = ( fvc::interpolate(U*voidfraction) & mesh.Sf() )
-                                      //+ fvc::ddtPhiCorr(rUA, U, phi)
+                      + fvc::ddtPhiCorr(rUAvoidfraction, U, phi);
                 surfaceScalarField phiS(fvc::interpolate(Us*voidfraction) & mesh.Sf());
                 surfaceScalarField phiGes = phi + rUAf*(fvc::interpolate(Ksl/rho) * phiS);
 
-                volScalarField rUAvoidfraction("(voidfraction2|A(U))",rUA*voidfraction);
                 if (modelType=="A")
                     rUAvoidfraction = volScalarField("(voidfraction2|A(U))",rUA*voidfraction*voidfraction);
 
@@ -156,7 +155,7 @@ int main(int argc, char *argv[])
 
                 } // end non-orthogonal corrector loop
 
-                #include "continuityErrs.H"
+                #include "continuityErrorPhiPU.H"
 
                 if (modelType=="B")
                     U -= rUA*fvc::grad(p) - Ksl/rho*Us*rUA;

applications/solvers/cfdemSolverPisoMS/Make/files

@@ -0,0 +1,3 @@
+cfdemSolverPisoMS.C
+
+EXE=$(FOAM_USER_APPBIN)/cfdemSolverPisoMS

applications/solvers/cfdemSolverPisoMS/Make/options

@@ -0,0 +1,16 @@
+EXE_INC = \
+    -I$(CFDEM_SRC_DIR)/lnInclude \
+    -I ../cfdemSolverPiso \
+    -I$(LIB_SRC)/turbulenceModels/incompressible/turbulenceModel \
+    -I$(LIB_SRC)/transportModels \
+    -I$(LIB_SRC)/transportModels/incompressible/singlePhaseTransportModel \
+    -I$(LIB_SRC)/finiteVolume/lnInclude \
+    -I$(CFDEM_SRC_DIR)/cfdTools \
+
+EXE_LIBS = \
+    -L$(FOAM_USER_LIBBIN)\
+    -lincompressibleRASModels \
+    -lincompressibleLESModels \
+    -lincompressibleTransportModels \
+    -lfiniteVolume \
+    -l$(CFDEM_LIB_NAME)

applications/solvers/cfdemSolverPisoMS/cfdemSolverPisoMS.C

@@ -0,0 +1,191 @@
+/*---------------------------------------------------------------------------*\
+    CFDEMcoupling - Open Source CFD-DEM coupling
+
+    CFDEMcoupling is part of the CFDEMproject
+    www.cfdem.com
+                                Christoph Goniva, christoph.goniva@cfdem.com
+                                Copyright (C) 1991-2009 OpenCFD Ltd.
+                                Copyright (C) 2009-2012 JKU, Linz
+                                Copyright (C) 2012-     DCS Computing GmbH,Linz
+-------------------------------------------------------------------------------
+License
+    This file is part of CFDEMcoupling.
+
+    CFDEMcoupling 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.
+
+    CFDEMcoupling 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 CFDEMcoupling.  If not, see <http://www.gnu.org/licenses/>.
+
+Application
+    cfdemSolverPisoMS
+
+Description
+    Transient solver for incompressible flow.
+    Turbulence modelling is generic, i.e. laminar, RAS or LES may be selected.
+    The code is an evolution of the solver pisoFoam in OpenFOAM(R) 1.6, 
+    where additional functionality for CFD-DEM coupling is added.
+\*---------------------------------------------------------------------------*/
+
+#include "fvCFD.H"
+#include "singlePhaseTransportModel.H"
+#include "turbulenceModel.H"
+
+#include "cfdemCloudMS.H"
+#include "implicitCouple.H"
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+int main(int argc, char *argv[])
+{
+    #include "setRootCase.H"
+    #include "createTime.H"
+    #include "createMesh.H"
+    #include "createFields.H"
+
+    #include "initContinuityErrs.H"
+
+    // create cfdemCloud
+    #include "readGravitationalAcceleration.H"
+    cfdemCloudMS particleCloud(mesh);
+
+    #include "checkModelType.H"
+    // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+    Info<< "\nStarting time loop\n" << endl;
+
+    while (runTime.loop())
+    {
+        Info<< "Time = " << runTime.timeName() << nl << endl;
+
+        #include "readPISOControls.H"
+        #include "CourantNo.H"
+
+        // do particle stuff
+        Info << "- evolve()" << endl;
+        particleCloud.evolve(voidfraction,Us,U);
+
+        Info << "update Ksl.internalField()" << endl;
+        Ksl.internalField() = particleCloud.momCoupleM(0).impMomSource();
+        Ksl.correctBoundaryConditions();
+
+        // debug info
+        //Info << "totaldragforceEuler calculus" << endl;
+        //vector totaldragforceEuler(0,0,0);
+        //forAll(Ksl,cellI)
+        //{
+        //    totaldragforceEuler += Ksl[cellI]*(Us[cellI]-U[cellI])/rho[cellI] * Ksl.mesh().V()[cellI];
+        //}
+        //Pout <<"totaldragforceEuler = "<< mag(totaldragforceEuler) << endl;
+        //Pout << "dv/dt =" << sum(fvc::ddt(voidfraction)) << endl;
+        //-----------
+
+        // Pressure-velocity PISO corrector
+        {
+            // Momentum predictor
+            fvVectorMatrix UEqn
+            (
+                fvm::ddt(voidfraction,U)
+              + fvm::div(phi, U)
+//              + turbulence->divDevReff(U)
+              + particleCloud.divVoidfractionTau(U, voidfraction)
+             == 
+              - fvm::Sp(Ksl/rho,U) 
+            );
+
+            UEqn.relax();
+
+            if (momentumPredictor)
+            {
+                //solve UEqn
+                if (modelType=="B")
+                    solve(UEqn == - fvc::grad(p) + Ksl/rho*Us);
+                else
+                    solve(UEqn == - voidfraction*fvc::grad(p) + Ksl/rho*Us);
+            }
+
+            // --- PISO loop
+
+            //for (int corr=0; corr<nCorr; corr++)
+            int nCorrSoph = nCorr + 5 * pow((1-particleCloud.dataExchangeM().timeStepFraction()),1);
+            for (int corr=0; corr<nCorrSoph; corr++)
+            {
+                volScalarField rUA = 1.0/UEqn.A();
+                surfaceScalarField rUAf("(1|A(U))", fvc::interpolate(rUA));
+
+                U = rUA*UEqn.H();
+
+                phi = fvc::interpolate(U*voidfraction) & mesh.Sf();
+                                      //+ fvc::ddtPhiCorr(rUA, U, phi)
+                surfaceScalarField phiS(fvc::interpolate(Us*voidfraction) & mesh.Sf());
+                surfaceScalarField phiGes = phi + rUAf*(fvc::interpolate(Ksl/rho) * phiS);
+
+                volScalarField rUAvoidfraction("(voidfraction2|A(U))",rUA*voidfraction);
+                if (modelType=="A")
+                    rUAvoidfraction = volScalarField("(voidfraction2|A(U))",rUA*voidfraction*voidfraction);
+
+                // Non-orthogonal pressure corrector loop
+                for (int nonOrth=0; nonOrth<=nNonOrthCorr; nonOrth++)
+                {
+                    // Pressure corrector
+                    fvScalarMatrix pEqn
+                    (
+                        fvm::laplacian(rUAvoidfraction, p) == fvc::div(phiGes) + fvc::ddt(voidfraction)
+                    );
+                    pEqn.setReference(pRefCell, pRefValue);
+
+                    if
+                    (
+                        corr == nCorr-1
+                     && nonOrth == nNonOrthCorr
+                    )
+                    {
+                        pEqn.solve(mesh.solver("pFinal"));
+                    }
+                    else
+                    {
+                        pEqn.solve();
+                    }
+
+                    if (nonOrth == nNonOrthCorr)
+                    {
+                        phiGes -= pEqn.flux();
+                    }
+
+                } // end non-orthogonal corrector loop
+
+                #include "continuityErrorPhiPU.H"
+
+                if (modelType=="B")
+                    U -= rUA*fvc::grad(p) - Ksl/rho*Us*rUA;
+                else
+                    U -= voidfraction*rUA*fvc::grad(p) - Ksl/rho*Us*rUA;
+                
+                U.correctBoundaryConditions();
+
+            } // end piso loop
+        }
+
+        turbulence->correct();
+
+        runTime.write();
+
+        Info<< "ExecutionTime = " << runTime.elapsedCpuTime() << " s"
+            << "  ClockTime = " << runTime.elapsedClockTime() << " s"
+            << nl << endl;
+    }
+
+    Info<< "End\n" << endl;
+
+    return 0;
+}
+
+
+// ************************************************************************* //

applications/solvers/cfdemSolverPisoScalar/cfdemSolverPisoScalar.C

@@ -126,14 +126,14 @@ int main(int argc, char *argv[])
             {
                 volScalarField rUA = 1.0/UEqn.A();
                 surfaceScalarField rUAf("(1|A(U))", fvc::interpolate(rUA));
+                volScalarField rUAvoidfraction("(voidfraction2|A(U))",rUA*voidfraction);
 
                 U = rUA*UEqn.H();
 
-                phi = fvc::interpolate(U*voidfraction) & mesh.Sf();
+                phi = ( fvc::interpolate(U*voidfraction) & mesh.Sf() )
-                                      //+ fvc::ddtPhiCorr(rUA, U, phi)
+                      + fvc::ddtPhiCorr(rUAvoidfraction, U, phi);
                 surfaceScalarField phiS(fvc::interpolate(Us*voidfraction) & mesh.Sf());
                 surfaceScalarField phiGes = phi + rUAf*(fvc::interpolate(Ksl/rho) * phiS);
-                volScalarField rUAvoidfraction("(voidfraction2|A(U))",rUA*voidfraction);
                 if (modelType=="A")
                     rUAvoidfraction = volScalarField("(voidfraction2|A(U))",rUA*voidfraction*voidfraction);
 
@@ -167,7 +167,7 @@ int main(int argc, char *argv[])
 
                 } // end non-orthogonal corrector loop
 
-                #include "continuityErrs.H"
+                #include "continuityErrorPhiPU.H"
 
                 if (modelType=="B")
                     U -= rUA*fvc::grad(p) - Ksl/rho*Us*rUA;

doc/CFDEMcoupling_Manual.html

@@ -162,6 +162,21 @@ In order to get the latest code version, please use the git repository at http:/
 </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" or "B", according to Zhou et al. (2010): "Discrete particle simulation of particle-fluid flow: model formulations and their appliccability", JFM. "A" requres the use of the force models gradPForce and viscForce, whereas "B" requires the force model "Archimedes".
+</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 TS in the in.xxx 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 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 

doc/CFDEMcoupling_Manual.txt

@@ -131,6 +131,21 @@ In "sub-model properties" sub-dictionaries might be defined to specify model spe
 
 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" or "B", according to Zhou et al. (2010): "Discrete particle simulation of particle-fluid flow: model formulations and their appliccability", JFM. "A" requres the use of the force models gradPForce and viscForce, whereas "B" requires the force model "Archimedes".
+
+couplingInterval :pre
+
+The coupling interval determines the time passing between two CFD-DEM data exchanges. 
+
+A useful procedure would be:
+1) Set the DEM TS in the in.xxx 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 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)
@@ -404,6 +419,14 @@ Reasonable example settings for the "liggghtsCommands" dictionary are given in t
 
 
 
+
+
+
+
+
+
+
+
 
 
 

doc/forceModel_KochHillDrag.html

@@ -31,7 +31,7 @@ KochHillDragProps
 
 <LI><I>voidfraction</I> = name of the finite volume voidfraction field 
 
-<LI><I>interpolation</I> = flag to use interolate interpolated voidfraction and fluid velocity values (normally off) 
+<LI><I>interpolation</I> = flag to use interpolated voidfraction and fluid velocity values (normally off) 
 
 
 </UL>

doc/forceModel_KochHillDrag.txt

@@ -26,7 +26,7 @@ KochHillDragProps
 {U} = name of the finite volume fluid velocity field :ulb,l
 {density} = name of the finite volume gravity field :l
 {voidfraction} = name of the finite volume voidfraction field :l
-{interpolation} = flag to use interolate interpolated voidfraction and fluid velocity values (normally off) :l
+{interpolation} = flag to use interpolated voidfraction and fluid velocity values (normally off) :l
 :ule
 
 [Examples:]

doc/voidFractionModel_dividedVoidFraction.html

@@ -18,12 +18,15 @@ dividedProps
 {
     alphaMin number1;
     scaleUpVol number2;
+    interpolation;
 } 
 </PRE>
 <UL><LI><I>number1</I> = mininmum limit for voidfraction 
 
 <LI><I>number2</I> = diameter of the particle's representation is artificially increased according to <I>number2</I> * Vparticle, volume remains unaltered! 
 
+<LI><I>interpolation</I> = flag to interpolate voidfraction to particle positions (normally off) 
+
 
 </UL>
 <P><B>Examples:</B>

doc/voidFractionModel_dividedVoidFraction.txt

@@ -16,10 +16,12 @@ dividedProps
 \{
     alphaMin number1;
     scaleUpVol number2;
+    interpolation;
 \} :pre
 
 {number1} = mininmum limit for voidfraction :ulb,l
 {number2} = diameter of the particle's representation is artificially increased according to {number2} * Vparticle, volume remains unaltered! :l
+{interpolation} = flag to interpolate voidfraction to particle positions (normally off) :l
 :ule
 
 [Examples:]

src/lagrangian/cfdemParticle/Make/files

@@ -1,5 +1,6 @@
 cfdemCloud = cfdemCloud
 forceModels = subModels/forceModel
+forceModelsMS = subModels/forceModelMS
 IOModels = subModels/IOModel
 voidFractionModels = subModels/voidFractionModel
 locateModels = subModels/locateModel
@@ -13,34 +14,56 @@ liggghtsCommandModels = subModels/liggghtsCommandModel
 
 $(cfdemCloud)/cfdemCloud.C
 derived/cfdemCloudIB/cfdemCloudIB.C
+derived/cfdemCloudMS/cfdemCloudMS.C
 
 $(forceModels)/forceModel/forceModel.C
 $(forceModels)/forceModel/newForceModel.C
 $(forceModels)/noDrag/noDrag.C
 $(forceModels)/DiFeliceDrag/DiFeliceDrag.C
+$(forceModels)/DiFeliceDragNLift/DiFeliceDragNLift.C
 $(forceModels)/GidaspowDrag/GidaspowDrag.C
 $(forceModels)/SchillerNaumannDrag/SchillerNaumannDrag.C
 $(forceModels)/Archimedes/Archimedes.C
 $(forceModels)/ArchimedesIB/ArchimedesIB.C
 $(forceModels)/interface/interface.C
 $(forceModels)/ShirgaonkarIB/ShirgaonkarIB.C
+$(forceModels)/fieldTimeAverage/fieldTimeAverage.C
+$(forceModels)/fieldBound/fieldBound.C
+$(forceModels)/volWeightedAverage/volWeightedAverage.C
+$(forceModels)/totalMomentumExchange/totalMomentumExchange.C
 $(forceModels)/KochHillDrag/KochHillDrag.C
+$(forceModels)/BeetstraDrag/multiphaseFlowBasic/multiphaseFlowBasic.C
+$(forceModels)/BeetstraDrag/BeetstraDrag.C
+$(forceModels)/LaEuScalarLiquid/LaEuScalarLiquid.C
 $(forceModels)/LaEuScalarTemp/LaEuScalarTemp.C
+$(forceModels)/LaEuScalarDust/LaEuScalarDust.C
 $(forceModels)/virtualMassForce/virtualMassForce.C
 $(forceModels)/gradPForce/gradPForce.C
+$(forceModels)/gradULiftForce/gradULiftForce.C
 $(forceModels)/viscForce/viscForce.C
 $(forceModels)/MeiLift/MeiLift.C
+$(forceModels)/KochHillDragNLift/KochHillDragNLift.C
+$(forceModels)/solidsPressureForce/solidsPressureForce.C
+$(forceModels)/periodicPressure/periodicPressure.C
+$(forceModels)/periodicPressureControl/periodicPressureControl.C
+$(forceModels)/averageSlipVel/averageSlipVel.C
+
+$(forceModelsMS)/forceModelMS/forceModelMS.C
+$(forceModelsMS)/forceModelMS/newForceModelMS.C
+$(forceModelsMS)/DiFeliceDragMS/DiFeliceDragMS.C
 
 $(IOModels)/IOModel/IOModel.C
 $(IOModels)/IOModel/newIOModel.C
 $(IOModels)/noIO/noIO.C
 $(IOModels)/basicIO/basicIO.C
 $(IOModels)/trackIO/trackIO.C
+$(IOModels)/sophIO/sophIO.C
 
 $(voidFractionModels)/voidFractionModel/voidFractionModel.C
 $(voidFractionModels)/voidFractionModel/newVoidFractionModel.C
 $(voidFractionModels)/centreVoidFraction/centreVoidFraction.C
 $(voidFractionModels)/dividedVoidFraction/dividedVoidFraction.C
+$(voidFractionModels)/dividedVoidFractionMS/dividedVoidFractionMS.C
 $(voidFractionModels)/bigParticleVoidFraction/bigParticleVoidFraction.C
 $(voidFractionModels)/GaussVoidFraction/GaussVoidFraction.C
 $(voidFractionModels)/IBVoidFraction/IBVoidFraction.C
@@ -52,20 +75,22 @@ $(locateModels)/engineSearch/engineSearch.C
 $(locateModels)/turboEngineSearch/turboEngineSearch.C
 $(locateModels)/engineSearchIB/engineSearchIB.C
 
-
 $(meshMotionModels)/meshMotionModel/meshMotionModel.C
 $(meshMotionModels)/meshMotionModel/newMeshMotionModel.C
 $(meshMotionModels)/noMeshMotion/noMeshMotion.C
+$(meshMotionModels)/DEMdrivenMeshMotion/DEMdrivenMeshMotion.C
 
 $(momCoupleModels)/momCoupleModel/momCoupleModel.C
 $(momCoupleModels)/momCoupleModel/newMomCoupleModel.C
 $(momCoupleModels)/explicitCouple/explicitCouple.C
+$(momCoupleModels)/explicitCoupleSource/explicitCoupleSource.C
 $(momCoupleModels)/implicitCouple/implicitCouple.C
 $(momCoupleModels)/noCouple/noCouple.C
 
 $(regionModels)/regionModel/regionModel.C
 $(regionModels)/regionModel/newRegionModel.C
 $(regionModels)/allRegion/allRegion.C
+$(regionModels)/differentialRegion/differentialRegion.C
 
 $(dataExchangeModels)/dataExchangeModel/dataExchangeModel.C
 $(dataExchangeModels)/dataExchangeModel/newDataExchangeModel.C

src/lagrangian/cfdemParticle/Make/options

@@ -24,4 +24,4 @@ LIB_LIBS = \
     -llagrangian \
     -lmpi_cxx \
     -L$(CFDEM_LIGGGHTS_SRC_DIR) \
-    -l$(CFDEM_LIGGGHTS_LIB_NAME) \
+    -l$(CFDEM_LIGGGHTS_LIB_NAME)

src/lagrangian/cfdemParticle/cfdemCloud/cfdemCloud.C

@@ -372,34 +372,41 @@ bool Foam::cfdemCloud::evolve
             Info << "\n Coupling..." << endl;
             doCouple=true;
 
+            clockM().start(5,"defineRegion");
             if(verbose_) Info << "- defineRegion()" << endl;
             regionM().defineRegion();
             if(verbose_) Info << "defineRegion done." << endl;
+            clockM().stop("defineRegion");
 
             // reset vol Fields
+            clockM().start(6,"resetVolFields");
             if(verbose_) Info << "- resetVolFields()" << endl;
             regionM().resetVolFields(Us);
             if(verbose_) Info << "resetVolFields done." << endl;
+            clockM().stop("resetVolFields");
 
             if(verbose_) Info << "- getDEMdata()" << endl;
-            clockM().start(4,"getDEMdata");
+            clockM().start(7,"getDEMdata");
             getDEMdata();
-            clockM().stop();
+            clockM().stop("getDEMdata");
             if(verbose_) Info << "- getDEMdata done." << endl;
 
             // search cellID of particles
-            clockM().start(5,"findCell");
+            clockM().start(8,"findCell");
             if(verbose_) Info << "- findCell()" << endl;
             findCells();
             if(verbose_) Info << "findCell done." << endl;
             clockM().stop("findCell");
 
             // set void fraction field
+            clockM().start(9,"setvoidFraction");
             if(verbose_) Info << "- setvoidFraction()" << endl;
             voidFractionM().setvoidFraction(regionM().inRegion(),voidfractions_,particleWeights_,particleVolumes_);
             if(verbose_) Info << "setvoidFraction done." << endl;
+            clockM().stop("setvoidFraction");
 
             // set particles velocity field
+            clockM().start(10,"setVectorAverage");
             if(verbose_) Info << "- setVectorAverage(Us,velocities_,weights_)" << endl;
             averagingM().setVectorAverage
             (
@@ -410,15 +417,18 @@ bool Foam::cfdemCloud::evolve
                 regionM().inRegion()
             );
             if(verbose_) Info << "setVectorAverage done." << endl;
+            clockM().stop("setVectorAverage");
 
             // set particles forces
+            clockM().start(11,"setForce");
             if(verbose_) Info << "- setForce(forces_)" << endl;
             setForces();
             if(verbose_) Info << "setForce done." << endl;
+            clockM().stop("setForce");
 
             // get next force field
+            clockM().start(12,"setParticleForceField");
             if(verbose_) Info << "- setParticleForceField()" << endl;
-
             averagingM().setVectorSum
             (
                 forceM(0).impParticleForces(),
@@ -433,12 +443,12 @@ bool Foam::cfdemCloud::evolve
                 particleWeights_,
                 regionM().inRegion()
             );
-
             if(verbose_) Info << "- setParticleForceField done." << endl;
+            clockM().stop("setParticleForceField");
 
             // write DEM data
             if(verbose_) Info << " -giveDEMdata()" << endl;
-            clockM().start(6,"giveDEMdata");
+            clockM().start(13,"giveDEMdata");
             giveDEMdata();
             clockM().stop("giveDEMdata");
 
@@ -450,6 +460,7 @@ bool Foam::cfdemCloud::evolve
         }//end dataExchangeM().couple()
         Info << "\n timeStepFraction() = " << dataExchangeM().timeStepFraction() << endl;
 
+        clockM().start(14,"interpolateEulerFields");
         // update voidFractionField
         alpha.internalField() = voidFractionM().voidFractionInterp();
         alpha.correctBoundaryConditions();
@@ -457,12 +468,16 @@ bool Foam::cfdemCloud::evolve
         // update particle velocity Field
         Us.internalField() = averagingM().UsInterp();
         Us.correctBoundaryConditions();
+        clockM().stop("interpolateEulerFields");
 
         if(verbose_){
             #include "debugInfo.H"
         }
+
+        clockM().start(15,"dumpDEMdata");
         // do particle IO
         IOM().dumpDEMdata();
+        clockM().stop("dumpDEMdata");
 
     }//end ignore
     return doCouple;

src/lagrangian/cfdemParticle/derived/cfdemCloudIB/cfdemCloudIB.C

@@ -141,7 +141,8 @@ void Foam::cfdemCloudIB::calcVelocityCorrection
 (
     volScalarField& p,
     volVectorField& U,
-    volScalarField& phiIB
+    volScalarField& phiIB,
+    volScalarField& voidfraction
 )
 {
     label cellI=0;
@@ -174,7 +175,7 @@ void Foam::cfdemCloudIB::calcVelocityCorrection
     }
 
     // make field divergence free
-    solve(fvm::laplacian(phiIB) == fvc::div(U));
+    solve(fvm::laplacian(phiIB) == fvc::div(U) + fvc::ddt(voidfraction));
 
     U=U-fvc::grad(phiIB);
     U.correctBoundaryConditions();

src/lagrangian/cfdemParticle/derived/cfdemCloudIB/cfdemCloudIB.H

@@ -82,7 +82,7 @@ public:
     
         bool evolve();
 
-        void calcVelocityCorrection(volScalarField&,volVectorField&,volScalarField&); // this could be moved to an IB mom couple model
+        void calcVelocityCorrection(volScalarField&,volVectorField&,volScalarField&,volScalarField&); // this could be moved to an IB mom couple model
 
       // Access
         vector angularVelocity(int);

src/lagrangian/cfdemParticle/derived/cfdemCloudMS/cfdemCloudMS.C

@@ -0,0 +1,273 @@
+/*---------------------------------------------------------------------------*\
+    CFDEMcoupling - Open Source CFD-DEM coupling
+
+    CFDEMcoupling is part of the CFDEMproject
+    www.cfdem.com
+                                Christoph Goniva, christoph.goniva@cfdem.com
+                                Copyright 2009-2012 JKU Linz
+                                Copyright 2012-     DCS Computing GmbH, Linz
+-------------------------------------------------------------------------------
+License
+    This file is part of CFDEMcoupling.
+
+    CFDEMcoupling 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.
+
+    CFDEMcoupling 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 CFDEMcoupling; if not, write to the Free Software Foundation,
+    Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
+
+Description
+    This code is designed to realize coupled CFD-DEM simulations using LIGGGHTS
+    and OpenFOAM(R). Note: this code is not part of OpenFOAM(R) (see DISCLAIMER).
+\*---------------------------------------------------------------------------*/
+
+#include "cfdemCloudMS.H"
+#include "voidFractionModel.H"
+#include "forceModelMS.H"
+#include "regionModel.H"
+#include "locateModel.H"
+#include "dataExchangeModel.H"
+
+//#include "mpi.h" // only for debug reason
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+namespace Foam
+{
+// * * * * * * * * * * * * * * Static Data Members * * * * * * * * * * * * * //
+
+// * * * * * * * * * * * * * * * * Constructors  * * * * * * * * * * * * * * //
+
+// Construct from components
+cfdemCloudMS::cfdemCloudMS
+(
+    const fvMesh& mesh
+)
+:
+    cfdemCloud(mesh),
+    positionsCM_(NULL),
+    velocitiesCM_(NULL),
+    cellIDsCM_(NULL),
+    bodies_(NULL),
+    nrigids_(NULL),
+    exCM_(NULL),
+    eyCM_(NULL),
+    ezCM_(NULL),
+    VclumpCM_(NULL),
+    SclumpCM_(NULL),
+    scalingCM_(NULL),
+    typeCM_(NULL),
+    Cclump_ex_(NULL),
+    Cclump_ey_(NULL),
+    impForcesCM_(NULL),
+    expForcesCM_(NULL),
+    DEMForcesCM_(NULL),
+    numberOfClumps_(-1),
+    numberOfClumpsChanged_(false),
+    forceModels_(couplingProperties_.lookup("forceModelsMS"))
+{
+    forceModel_ = new autoPtr<forceModelMS>[nrForceModels()];
+    for (int i=0;i<nrForceModels();i++)
+    {
+        forceModel_[i] = forceModelMS::New
+        (
+            couplingProperties_,
+            *this,
+            forceModels_[i]
+        );
+    }
+}
+
+
+// * * * * * * * * * * * * * * * * Destructor  * * * * * * * * * * * * * * * //
+
+cfdemCloudMS::~cfdemCloudMS()
+{
+    delete positionsCM_;
+    delete velocitiesCM_;
+    delete cellIDsCM_;
+    delete bodies_;
+    delete nrigids_;
+    delete exCM_;
+    delete eyCM_;
+    delete ezCM_;
+    delete VclumpCM_;
+    delete SclumpCM_;
+    delete scalingCM_;
+    delete typeCM_;
+    delete Cclump_ex_;
+    delete Cclump_ey_;
+    delete impForcesCM_;
+    delete expForcesCM_;
+    delete DEMForcesCM_;
+}
+
+// * * * * * * * * * * * * * * * Member Functions  * * * * * * * * * * * * * //
+//             PUBLIC MEMBER FUNCTIONS
+
+void cfdemCloudMS::getDEMdata()
+{
+    cfdemCloud::getDEMdata();
+
+    // update NClumpTypes in data exch. model
+    //dataExchangeM().checkNClumpTypes();
+
+    dataExchangeM().getData("xcm","vector-multisphere",positionsCM_);   // position of the centre of mass
+    dataExchangeM().getData("vcm","vector-multisphere",velocitiesCM_);  // velocity of the centre of mass
+    dataExchangeM().getData("body","scalar-atom",bodies_);              // clump-particle connex
+    dataExchangeM().getData("nrigid","scalar-multisphere",nrigids_);    // # particles in clump
+    dataExchangeM().getData("ex_space","vector-multisphere",exCM_);     // axis of inertia
+    dataExchangeM().getData("ey_space","vector-multisphere",eyCM_);     // axis of inertia
+    dataExchangeM().getData("ez_space","vector-multisphere",ezCM_);     // axis of inertia
+
+//    dataExchangeM().getScalarData("Vclump",VclumpCM_);   // Volume of the clump
+//    dataExchangeM().getScalarData("Sclump",SclumpCM_);   // surface area of the clump
+
+//    dataExchangeM().getScalarData("scaling",scalingCM_); // scaling of the clump
+//    dataExchangeM().getScalarData("typeCM",typeCM_);    // type of the clump
+
+//    dataExchangeM().getScalarData("Cclump_ex",Cclump_ex_);   // cross section of the clump in ex normal direction
+//    dataExchangeM().getScalarData("Cclump_ey",Cclump_ey_);   // cross section of the clump in ey normal direction
+
+    // calc Saequi, surface area of the vol aequivalent sphere
+      // Saequi=pi*pow(6*VclumpCM_/pi,2./3.);
+
+    // calc Caequi, cross section of the vol aequivalent sphere
+      // Caequi=Saequi/4;
+}
+
+void Foam::cfdemCloudMS::giveDEMdata()
+{
+    for(int index = 0;index < numberOfClumps(); ++index)
+    {
+        for(int i=0;i<3;i++){
+            impForcesCM()[index][i] += expForcesCM()[index][i] + DEMForcesCM()[index][i];
+        }
+    }
+    if(forceM(0).coupleForce()) dataExchangeM().giveData("dragforce_cm","vector-multisphere",impForcesCM());
+    if(verbose_) Info << "giveDEMdata done." << endl;
+}
+
+bool cfdemCloudMS::evolve
+(
+    volScalarField& alpha,
+    volVectorField& Us,
+    volVectorField& U
+)
+{
+    if(cfdemCloud::evolve(alpha,Us,U)) return true;
+
+    return false;
+}
+
+bool cfdemCloudMS::reAllocArrays() const
+{
+    if(cfdemCloud::reAllocArrays())
+    {
+        int nClumpTypes = dataExchangeM().nClumpTypes();
+
+        // get arrays of new length
+        dataExchangeM().allocateArray(positionsCM_,0,3,"nbodies");
+        dataExchangeM().allocateArray(velocitiesCM_,0,3,"nbodies");
+        dataExchangeM().allocateArray(cellIDsCM_,0,1,"nbodies");
+        dataExchangeM().allocateArray(bodies_,0,3);
+        dataExchangeM().allocateArray(nrigids_,0,1,"nbodies");
+        dataExchangeM().allocateArray(exCM_,0,3,"nbodies");
+        dataExchangeM().allocateArray(eyCM_,0,3,"nbodies");
+        dataExchangeM().allocateArray(ezCM_,0,3,"nbodies");
+        dataExchangeM().allocateArray(VclumpCM_,0,3,nClumpTypes);
+        dataExchangeM().allocateArray(SclumpCM_,0,3,nClumpTypes);
+        dataExchangeM().allocateArray(scalingCM_,0,3,"nbodies");
+        dataExchangeM().allocateArray(typeCM_,0,3,"nbodies");
+        dataExchangeM().allocateArray(Cclump_ex_,0,3,nClumpTypes);
+        dataExchangeM().allocateArray(Cclump_ey_,0,3,nClumpTypes);
+        dataExchangeM().allocateArray(impForcesCM_,0,3,"nbodies");
+        dataExchangeM().allocateArray(expForcesCM_,0,3,"nbodies");
+        dataExchangeM().allocateArray(DEMForcesCM_,0,3,"nbodies");
+        return true;
+    }
+    return false;
+}
+
+void Foam::cfdemCloudMS::setNumberOfParticles(int nP)
+{
+    cfdemCloud::setNumberOfParticles(nP);
+
+    int nC = dataExchangeM().getNumberOfClumps();
+
+    if(nC != numberOfClumps())
+    {
+        numberOfClumpsChanged_ = true;
+        numberOfClumps_ = nC;
+    }
+}
+
+void Foam::cfdemCloudMS::findCells()
+{
+    cfdemCloud::findCells();
+    locateM().findCell(regionM().inRegion(),positionsCM_,cellIDsCM_,numberOfClumps());
+}
+
+void Foam::cfdemCloudMS::setForces()
+{
+    cfdemCloud::setForces();
+
+    resetArray(impForces_,numberOfParticles(),3);
+    resetArray(expForces_,numberOfParticles(),3);
+    resetArray(DEMForces_,numberOfParticles(),3);
+    for (int i=0;i<cfdemCloudMS::nrForceModels();i++) cfdemCloudMS::forceM(i).setForce(regionM().inRegion(),impForces_,expForces_,DEMForces_);
+}
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+//             PUBLIC MEMBER FUNCTIONS
+
+vector Foam::cfdemCloudMS::positionCM(int index)
+{
+    vector pos;
+    for(int i=0;i<3;i++) pos[i] = positionsCM()[index][i];
+    return pos;
+}
+
+vector Foam::cfdemCloudMS::velocityCM(int index)
+{
+    vector vel;
+    for(int i=0;i<3;i++) vel[i] = velocitiesCM()[index][i];
+    return vel;
+}
+
+label Foam::cfdemCloudMS::cellIDCM(int index)
+{
+    return cellIDsCM_[index][0];
+}
+
+label Foam::cfdemCloudMS::body(int index)
+{
+    return bodies_[0][index];
+}
+
+label Foam::cfdemCloudMS::nrigid(int index)
+{
+    return nrigids_[0][index];
+}
+
+const forceModel& Foam::cfdemCloudMS::forceM(int i)
+{
+    return forceModel_[i];
+}
+
+int Foam::cfdemCloudMS::nrForceModels()
+{
+    return forceModels_.size();
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+} // End namespace Foam
+
+// ************************************************************************* //

src/lagrangian/cfdemParticle/derived/cfdemCloudMS/cfdemCloudMS.H

@@ -0,0 +1,160 @@
+/*---------------------------------------------------------------------------*\
+    CFDEMcoupling - Open Source CFD-DEM coupling
+
+    CFDEMcoupling is part of the CFDEMproject
+    www.cfdem.com
+                                Christoph Goniva, christoph.goniva@cfdem.com
+                                Copyright 2009-2012 JKU Linz
+                                Copyright 2012-     DCS Computing GmbH, Linz
+-------------------------------------------------------------------------------
+License
+    This file is part of CFDEMcoupling.
+
+    CFDEMcoupling 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.
+
+    CFDEMcoupling 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 CFDEMcoupling; if not, write to the Free Software Foundation,
+    Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
+
+Description
+    This code is designed to realize coupled CFD-DEM simulations using LIGGGHTS
+    and OpenFOAM(R). Note: this code is not part of OpenFOAM(R) (see DISCLAIMER).
+
+Class
+    Foam::cfdemCloudMS derived from cfdemCloud
+
+Description
+    cloud class managing DEM data for CFD-DEM coupling including multi-sphere
+    functionality
+
+SourceFiles
+    cfdemCloudMS.C
+
+
+\*---------------------------------------------------------------------------*/
+
+#ifndef cfdemCloudMS_H
+#define cfdemCloudMS_H
+
+#include "cfdemCloud.H"
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+namespace Foam
+{
+
+/*---------------------------------------------------------------------------*\
+                           Class cfdemCloudMS Declaration
+\*---------------------------------------------------------------------------*/
+
+class cfdemCloudMS
+:
+    public cfdemCloud
+{
+private:
+
+    mutable double **positionsCM_;
+    mutable double **velocitiesCM_;
+    mutable double **cellIDsCM_;
+    mutable int **bodies_;
+    mutable int **nrigids_;
+
+    mutable double **exCM_;
+    mutable double **eyCM_;
+    mutable double **ezCM_;
+
+    mutable double **VclumpCM_;
+    mutable double **SclumpCM_;
+
+    mutable double **scalingCM_;
+    mutable double **typeCM_;
+
+    mutable double **Cclump_ex_;
+    mutable double **Cclump_ey_;
+
+    mutable double **impForcesCM_;
+    mutable double **expForcesCM_;
+    mutable double **DEMForcesCM_;
+
+    int numberOfClumps_;
+    bool numberOfClumpsChanged_;
+
+    const wordList forceModels_;
+    autoPtr<class forceModelMS>* forceModel_;
+
+// Private member functions
+    void getDEMdata();
+    void giveDEMdata();
+    bool reAllocArrays() const;
+    void setNumberOfParticles(int);
+    void findCells();
+    void setForces();
+
+public:
+
+    // Constructors
+
+        //- Construct from components
+        cfdemCloudMS
+        (
+            const fvMesh& mesh
+        );
+
+    // Destructor
+
+        virtual ~cfdemCloudMS();
+
+
+    // Member Functions
+      // Access
+
+       vector positionCM(int);
+
+       vector velocityCM(int);
+
+       label cellIDCM(int);
+
+       label body(int);
+
+       label nrigid(int);
+
+       inline double **& positionsCM() const;
+
+       inline double **& velocitiesCM() const;
+
+       inline double **& impForcesCM() const;
+
+       inline double **& expForcesCM() const;
+
+       inline double **& DEMForcesCM() const;
+
+       inline int numberOfClumps() const;
+
+       inline bool numberOfClumpsChanged() const;
+
+       const forceModel& forceM(int);
+
+       int nrForceModels();
+
+       bool evolve(volScalarField&,volVectorField&,volVectorField&);
+};
+
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+} // End namespace Foam
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+#include "cfdemCloudMSI.H"
+
+#endif
+
+// ************************************************************************* //

src/lagrangian/cfdemParticle/etc/bashrc

@@ -46,6 +46,19 @@ export CFDEM_LIB_NAME=lagrangianCFDEM-$CFDEM_VERSION-$WM_PROJECT_VERSION
 #- path to test harness
 export CFDEM_TEST_HARNESS_PATH=$CFDEM_PROJECT_USER_DIR/log/logFilesCFDEM-$CFDEM_VERSION-$WM_PROJECT_VERSION
 
+#------------------------------------------------------------------------------
+#- settings for lpp postproc tool
+#------------------------------------------------------------------------------
+
+#- nr of procs for lpp tool
+export CFDEM_LPP_NPROCS=1
+
+#- nr of procs for lpp tool
+export CFDEM_LPP_CHUNKSIZE=1
+
+#- shortcut to run lpp
+alias lpp='python -i $CFDEM_LPP_DIR/lpp.py --cpunum $CFDEM_LPP_NPROCS --chunksize $CFDEM_LPP_CHUNKSIZE'
+
 #------------------------------------------------------------------------------
 #- aliases for easy navigation (no changes necessary)
 #------------------------------------------------------------------------------
@@ -96,9 +109,6 @@ export -f cfdemLiggghts
 cfdemLiggghtsPar() { mpirun -np $2 $CFDEM_LIGGGHTS_SRC_DIR/lmp_$CFDEM_LIGGGHTS_MAKEFILE_NAME < $1; }
 export -f cfdemLiggghtsPar
 
-#- shortcut to run lpp
-alias lpp='python -i $CFDEM_LPP_DIR/lpp.py'
-
 # check if the directory exists
 if [ -d "$CFDEM_PROJECT_USER_DIR" ]; then
     :

src/lagrangian/cfdemParticle/etc/cfdemSystemTest.sh

@@ -25,6 +25,7 @@ checkDirComment "$CFDEM_LIGGGHTS_SRC_DIR" '$CFDEM_LIGGGHTS_SRC_DIR' "yes"
 checkDirComment "$CFDEM_PROJECT_DIR" '$CFDEM_PROJECT_DIR' "yes"
 checkDirComment "$CFDEM_PROJECT_USER_DIR" '$CFDEM_PROJECT_USER_DIR' "no"
 checkDirComment "$CFDEM_SRC_DIR" '$CFDEM_SRC_DIR' "yes"
+checkDirComment "$CFDEM_LIGGGHTS_SRC_DIR" '$CFDEM_LIGGGHTS_SRC_DIR' "yes"
 checkDirComment "$CFDEM_LPP_DIR" '$CFDEM_LPP_DIR' "yes"
 checkDirComment "$CFDEM_PIZZA_DIR" '$CFDEM_PIZZA_DIR' "no"
 checkDirComment "$CFDEM_TEST_HARNESS_PATH" '$CFDEM_TEST_HARNESS_PATH' "no"

src/lagrangian/cfdemParticle/etc/compileCFDEMcoupling.sh

@@ -26,8 +26,9 @@ logpath="$(dirname "$(readlink -f ${BASH_SOURCE[0]})")/$logDir"
 logfileName="log_compileCFDEMcoupling_src" #alternative: logfileName="log_compileLIGGGHTS_$NOW"
 casePath="$CFDEM_SRC_DIR"
 headerText="$logfileName""-$NOW"
+#doClean="$1" # "" | "noClean"
 #--------------------------------------------------------------------------------#
-compileLib $logpath $logfileName $casePath $headerText
+compileLib $logpath $logfileName $casePath $headerText #$doClean
 
 #================================================================================#
 # compile solvers
@@ -42,7 +43,7 @@ do
     casePath="$CFDEM_SOLVER_DIR/$solverName"
     headerText="$logfileName""_$solverName""-$NOW"
     #--------------------------------------------------------------------------------#
-    compileSolver $logpath $logfileName $casePath $headerText
+    compileSolver $logpath $logfileName $casePath $headerText  #$doClean
 done
 
 echo "Note: the list of solvers compiled might be incomplete."

src/lagrangian/cfdemParticle/etc/cshrc

@@ -46,6 +46,19 @@ setenv CFDEM_LIB_NAME lagrangianCFDEM-$CFDEM_VERSION-$WM_PROJECT_VERSION
 #- path to test harness
 setenv CFDEM_TEST_HARNESS_PATH $CFDEM_PROJECT_USER_DIR/log/logFilesCFDEM-$CFDEM_VERSION-$WM_PROJECT_VERSION
 
+#------------------------------------------------------------------------------
+#- settings for lpp postproc tool
+#------------------------------------------------------------------------------
+
+#- nr of procs for lpp tool
+setenv CFDEM_LPP_NPROCS 4
+
+#- nr of procs for lpp tool
+setenv CFDEM_LPP_CHUNKSIZE 1
+
+#- shortcut to run lpp
+alias lpp 'python -i $CFDEM_LPP_DIR/lpp.py --cpunum $CFDEM_LPP_NPROCS --chunksize $CFDEM_LPP_CHUNKSIZE \!:1'
+
 #------------------------------------------------------------------------------
 #- aliases for easy navigation (no changes necessary)
 #------------------------------------------------------------------------------

src/lagrangian/cfdemParticle/etc/functions.sh

@@ -18,6 +18,7 @@ compileLib()
     logfileName="$2"
     casePath="$3"
     headerText="$4"
+    #doClean="$5"
     #--------------------------------------------------------------------------------#
 
     #- clean up old log file
@@ -36,8 +37,10 @@ compileLib()
     echo 2>&1 | tee -a $logpath/$logfileName
 
     #- wclean and wmake
-    rmdepall 2>&1 | tee -a $logpath/$logfileName
+    #if [ $doClean != "noClean" ]; then
-    wclean 2>&1 | tee -a $logpath/$logfileName
+        rmdepall 2>&1 | tee -a $logpath/$logfileName
+        wclean 2>&1 | tee -a $logpath/$logfileName
+    #fi
     wmake libso 2>&1 | tee -a $logpath/$logfileName
 
     #- keep terminal open
@@ -56,6 +59,7 @@ compileSolver()
     logfileName="$2"
     casePath="$3"
     headerText="$4"
+    #doClean="$5"
     #--------------------------------------------------------------------------------#
 
     #- clean up old log file
@@ -74,8 +78,10 @@ compileSolver()
     echo 2>&1 | tee -a $logpath/$logfileName
 
     #- wclean and wmake
-    rmdepall 2>&1 | tee -a $logpath/$logfileName
+    #if [ $doClean != "noClean" ]; then
-    wclean 2>&1 | tee -a $logpath/$logfileName
+        rmdepall 2>&1 | tee -a $logpath/$logfileName
+        wclean 2>&1 | tee -a $logpath/$logfileName
+    #fi
     wmake 2>&1 | tee -a $logpath/$logfileName
 
     #- keep terminal open
@@ -118,6 +124,47 @@ compileLIGGGHTS()
 }
 #==================================#
 
+#==================================#
+#- function to compile a lammps lib
+
+compileLMPlib()
+{
+    #--------------------------------------------------------------------------------#
+    #- define variables
+    logpath="$1"
+    logfileName="$2"
+    headerText="$3"
+    makeFileName="$4"
+    libraryPath="$5"
+    #--------------------------------------------------------------------------------#
+
+    #- clean up old log file
+    rm $logpath/$logfileName
+
+    #- change path
+    cd $libraryPath
+
+    #- header
+    echo 2>&1 | tee -a $logpath/$logfileName
+    echo "//   $headerText   //" 2>&1 | tee -a $logpath/$logfileName
+    echo 2>&1 | tee -a $logpath/$logfileName
+
+    #- write path
+    pwd 2>&1 | tee -a $logpath/$logfileName
+    echo 2>&1 | tee -a $logpath/$logfileName
+
+    #- clean up
+    echo "make clean" 2>&1 | tee -a $logpath/$logfileName
+    echo 2>&1 | tee -a $logpath/$logfileName
+    make -f $makeFileName clean 2>&1 | tee -a $logpath/$logfileName
+
+    #- compile
+    echo "make" 2>&1 | tee -a $logpath/$logfileName
+    echo 2>&1 | tee -a $logpath/$logfileName
+    make -f $makeFileName 2>&1 | tee -a $logpath/$logfileName
+}
+#==================================#
+
 #==================================#
 #- function to run a DEM case
 
@@ -156,6 +203,50 @@ DEMrun()
 }
 #==================================#
 
+#==================================#
+#- function to run a DEM case in parallel
+
+parDEMrun()
+{
+    #--------------------------------------------------------------------------------#
+    #- define variables
+    logpath="$1"
+    logfileName="$2"
+    casePath="$3"
+    headerText="$4"
+    solverName="$5"
+    nrProcs="$6"
+    machineFileName="$7"
+    debugMode="$8"
+    #--------------------------------------------------------------------------------#
+
+    #- clean up old log file
+    rm $logpath/$logfileName
+
+    #- change path
+    cd $casePath/DEM
+
+    #- header
+    echo 2>&1 | tee -a $logpath/$logfileName
+    echo "//   $headerText   //" 2>&1 | tee -a $logpath/$logfileName
+    echo 2>&1 | tee -a $logpath/$logfileName
+
+    #- write path
+    pwd 2>&1 | tee -a $logpath/$logfileName
+    echo 2>&1 | tee -a $logpath/$logfileName
+
+    #- run applictaion
+    if [ $machineFileName == "none" ]; then
+        mpirun -np $nrProcs $debugMode $CFDEM_LIGGGHTS_SRC_DIR/$CFDEM_LIGGGHTS_LIB_NAME < $solverName 2>&1 | tee -a $logpath/$logfileName
+    else
+        mpirun -machinefile $machineFileName -np $nrProcs $debugMode $CFDEM_LIGGGHTS_SRC_DIR/$CFDEM_LIGGGHTS_LIB_NAME < $solverName 2>&1 | tee -a $logpath/$logfileName
+    fi
+
+    #- keep terminal open (if started in new terminal)
+    #read
+}
+#==================================#
+
 #==================================#
 #- function to run a CFD case
 

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

@@ -267,7 +267,9 @@ bool Foam::twoWayMPI::couple() const
         setNumberOfParticles(newNpart);
 
         // re-allocate arrays of cloud
+        particleCloud_.clockM().start(4,"LIGGGHTS_reallocArrays");
         particleCloud_.reAllocArrays();
+        particleCloud_.clockM().stop("LIGGGHTS_reallocArrays");
     }
 
     return coupleNow;

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

@@ -75,6 +75,8 @@ KochHillDrag::KochHillDrag
     if (propsDict_.found("verbose")) verbose_=true;
     if (propsDict_.found("treatExplicit")) treatExplicit_=true;
     if (propsDict_.found("interpolation")) interpolation_=true;
+
+    // Note: dprim=ds/scale_
     if (propsDict_.found("scale"))
         scale_=scalar(readScalar(propsDict_.lookup("scale")));
 }
@@ -126,7 +128,6 @@ void KochHillDrag::setForce
     {
         if(mask[index][0])
         {
-
             cellI = particleCloud_.cellIDs()[index][0];
             drag = vector(0,0,0);
 
@@ -137,6 +138,10 @@ void KochHillDrag::setForce
 	                position = particleCloud_.position(index);
                     voidfraction = voidfractionInterpolator_.interpolate(position,cellI);
                     Ufluid = UInterpolator_.interpolate(position,cellI);
+                    //Ensure interpolated void fraction to be meaningful
+                    // Info << " --> voidfraction: " << voidfraction << endl;
+                    if(voidfraction>1.00) voidfraction = 1.00;
+                    if(voidfraction<0.40) voidfraction = 0.40;
                 }else
                 {
 					voidfraction = particleCloud_.voidfraction(index);
@@ -162,8 +167,12 @@ void KochHillDrag::setForce
                     scalar F0=0.;
                     if(volumefraction < 0.4)
                     {
-                        F0 = (1+3*sqrt((volumefraction)/2)+135/64*volumefraction*log(volumefraction)+16.14*volumefraction)/
+                        F0 = (1+3*sqrt((volumefraction)/2)+135/64*volumefraction*log(volumefraction)
-                             (1+0.681*volumefraction-8.48*sqr(volumefraction)+8.16*volumefraction*volumefraction*volumefraction);
+                              +16.14*volumefraction
+                             )/
+                             (1+0.681*volumefraction-8.48*sqr(volumefraction)
+                              +8.16*volumefraction*volumefraction*volumefraction
+                             );
                     } else {
                         F0 = 10*volumefraction/(voidfraction*voidfraction*voidfraction);
                     }
@@ -171,12 +180,14 @@ void KochHillDrag::setForce
                     // calc model coefficient F3
                     scalar F3 = 0.0673+0.212*volumefraction+0.0232/pow(voidfraction,5);
 
-                    // calc model coefficient beta
+                    //Calculate F in the formulation of van der Hoef et al. (JFM 528:233-254)
-                    scalar beta = 18*nuf*rho*voidfraction*voidfraction*volumefraction/(ds/scale_*ds/scale_)*
+                    scalar F = voidfraction * (F0 + 0.5*F3*Rep);
-                                  (F0 + 0.5*F3*Rep);
+
+                    // calc drag model coefficient betaP
+                    scalar betaP = 18.*nuf*rho/(ds/scale_*ds/scale_)*voidfraction*F;
 
                     // calc particle's drag
-                    drag = Vs*beta/volumefraction*Ur;
+                    drag = Vs*betaP*Ur;
 
                     if (modelType_=="B")
                         drag /= voidfraction;

src/lagrangian/cfdemParticle/subModels/forceModelMS/DiFeliceDragMS/DiFeliceDragMS.C

@@ -0,0 +1,232 @@
+/*---------------------------------------------------------------------------*\
+    CFDEMcoupling - Open Source CFD-DEM coupling
+
+    CFDEMcoupling is part of the CFDEMproject
+    www.cfdem.com
+                                Christoph Goniva, christoph.goniva@cfdem.com
+                                Copyright 2009-2012 JKU Linz
+                                Copyright 2012-     DCS Computing GmbH, Linz
+-------------------------------------------------------------------------------
+License
+    This file is part of CFDEMcoupling.
+
+    CFDEMcoupling 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.
+
+    CFDEMcoupling 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 CFDEMcoupling; if not, write to the Free Software Foundation,
+    Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
+
+Description
+    This code is designed to realize coupled CFD-DEM simulations using LIGGGHTS
+    and OpenFOAM(R). Note: this code is not part of OpenFOAM(R) (see DISCLAIMER).
+\*---------------------------------------------------------------------------*/
+
+#include "error.H"
+
+#include "DiFeliceDragMS.H"
+#include "addToRunTimeSelectionTable.H"
+
+//#include "mpi.h"
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+namespace Foam
+{
+
+// * * * * * * * * * * * * * * Static Data Members * * * * * * * * * * * * * //
+
+defineTypeNameAndDebug(DiFeliceDragMS, 0);
+
+addToRunTimeSelectionTable
+(
+    forceModelMS,
+    DiFeliceDragMS,
+    dictionary
+);
+
+
+// * * * * * * * * * * * * * * * * Constructors  * * * * * * * * * * * * * * //
+
+// Construct from components
+DiFeliceDragMS::DiFeliceDragMS
+(
+    const dictionary& dict,
+    cfdemCloudMS& sm
+)
+:
+    forceModelMS(dict,sm),
+    propsDict_(dict.subDict(typeName + "Props")),
+    verbose_(false),
+    velFieldName_(propsDict_.lookup("velFieldName")),
+    U_(sm.mesh().lookupObject<volVectorField> (velFieldName_)),
+    densityFieldName_(propsDict_.lookup("densityFieldName")),
+    rho_(sm.mesh().lookupObject<volScalarField> (densityFieldName_)),
+    voidfractionFieldName_(propsDict_.lookup("voidfractionFieldName")),
+    voidfraction_(sm.mesh().lookupObject<volScalarField> (voidfractionFieldName_)),
+    interpolation_(false),
+    //sphereToClump_(readScalar(propsDict_.lookup("sphereToClump")))
+    dH_(readScalar(propsDict_.lookup("hydraulicDiameter")))
+{
+    if (propsDict_.found("verbose")) verbose_=true;
+    if (propsDict_.found("treatExplicit")) treatExplicit_=true;
+    if (propsDict_.found("interpolation"))
+    {
+        Info << "using interpolated value of U." << endl;
+        interpolation_=true;
+    }
+}
+
+
+// * * * * * * * * * * * * * * * * Destructor  * * * * * * * * * * * * * * * //
+
+DiFeliceDragMS::~DiFeliceDragMS()
+{}
+
+
+// * * * * * * * * * * * * * * * Member Functions  * * * * * * * * * * * * * //
+
+void DiFeliceDragMS::setForce
+(
+    double** const& mask,
+    double**& impForces,
+    double**& expForces,
+    double**& DEMForces
+) const
+{
+    // get viscosity field
+    #ifdef comp
+        const volScalarField& nufField = cloudRefMS().turbulence().mu() / rho_;
+    #else
+        const volScalarField& nufField = cloudRefMS().turbulence().nu();
+    #endif
+
+    interpolationCellPoint<vector> UInterpolator(U_);
+    interpolationCellPoint<scalar> voidfractionInterpolator(voidfraction_);
+    vector U(0,0,0);
+    vector position(0,0,0);
+    scalar voidfraction(1);
+    vector Us(0,0,0);
+    vector Ur(0,0,0);
+    scalar ds(0);
+    scalar nuf(0);
+    scalar rho(0);
+    scalar magUr(0);
+    scalar Rep(0);
+    scalar Cd(0);
+
+    cloudRefMS().resetArray(cloudRefMS().expForcesCM(),cloudRefMS().numberOfClumps(),3);
+    cloudRefMS().resetArray(cloudRefMS().impForcesCM(),cloudRefMS().numberOfClumps(),3);
+
+    for(int index = 0;index <  cloudRefMS().numberOfClumps(); index++)
+    {
+
+        //if(mask[index][0])  // would have to be transformed from body ID to particle ID
+        //{
+            vector drag(0,0,0);
+            label cellI = cloudRefMS().cellIDCM(index);
+
+            if (cellI > -1) // particle Found
+            {
+                if(interpolation_)
+                {
+                    position = cloudRefMS().positionCM(index);
+                    U = UInterpolator.interpolate(position,cellI);
+                    voidfraction = voidfractionInterpolator.interpolate(position,cellI);
+                }else
+                {
+                    U = U_[cellI];
+                    voidfraction = voidfraction_[cellI];
+                }
+
+                Us = cloudRefMS().velocityCM(index);
+                Ur = U-Us;
+                //ds = 2*cloudRefMS().radius(index)/sphereToClump_; // scale from particle diameter
+                ds = dH_;                                           // use dict defined diameter
+
+                nuf = nufField[cellI];
+                rho = rho_[cellI];
+                magUr = mag(Ur);
+                Rep = 0;
+                Cd = 0;
+                scalar phi(0);
+                scalar phiN(0);
+
+                if (magUr > 0)
+                {
+                    // calc particle Re Nr
+                    Rep = ds*voidfraction*magUr/nuf;
+
+                    // calc fluid drag Coeff
+//                    phi=1; //AsurfAequi/Asurf;
+//                    phiN=1; //AcrosssecAequi/Acrosssec;
+                    // paper uses different Re definition!?
+//                    Cd=8/(Rep*sqrt(phiN))+16/(Rep*sqrt(phi))+3/(sqrt(Rep)*pow(phi,0.75))+0.42*pow(10,(-0.4*pow(log(phi),0.2)))/phiN;
+
+                    // calc fluid drag Coeff
+                    Cd = sqr(0.63 + 4.8/sqrt(Rep));
+
+                    // calc model coefficient Xi
+                    scalar Xi = 3.7 - 0.65 * exp(-sqr(1.5-log10(Rep))/2);
+
+                    // calc particle's drag
+                    drag = 0.125*Cd*rho*M_PI*ds*ds*pow(voidfraction,(2-Xi))*magUr*Ur;
+
+                    if (modelType_=="B")
+                        drag /= voidfraction;
+                }
+
+                if(verbose_ && index >=0 && index <10)
+                {
+                    Info << "index = " << index << endl;
+                    Info << "Us = " << Us << endl;
+                    Info << "Ur = " << Ur << endl;
+                    Info << "ds = " << ds << endl;
+                    Info << "rho = " << rho << endl;
+                    Info << "nuf = " << nuf << endl;
+                    Info << "voidfraction = " << voidfraction << endl;
+                    Info << "Rep = " << Rep << endl;
+                    Info << "Cd = " << Cd << endl;
+                    Info << "drag = " << drag << endl;
+                }
+            }
+            // set force on bodies
+            if(treatExplicit_) for(int j=0;j<3;j++) cloudRefMS().expForcesCM()[index][j] += drag[j];
+            else  for(int j=0;j<3;j++) cloudRefMS().impForcesCM()[index][j] += drag[j];
+        //}
+    }
+
+    // set force on particles
+    int nrigidC(-1);
+    label ind(-1);
+    for(int index = 0;index <  cloudRefMS().numberOfParticles(); index++)
+    {
+        if (particleCloud_.cellIDs()[index][0] > -1) // particle Found
+        {
+            ind=cloudRefMS().body(index);
+            nrigidC=cloudRefMS().nrigid(ind);
+
+            if (nrigidC <= 0)
+            {
+                Warning <<"A BUG occurred in DiFeliceDragMS::setForce!!! nrigidC = " << nrigidC <<", ind = " << ind <<", index=" << index <<"\n" << endl;
+                nrigidC = 1000;
+            }
+            if(treatExplicit_) for(int j=0;j<3;j++) expForces[index][j] += cloudRefMS().expForcesCM()[ind][j] / nrigidC;
+            else  for(int j=0;j<3;j++) impForces[index][j] += cloudRefMS().impForcesCM()[ind][j] / nrigidC;
+        }
+    }
+}
+
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+} // End namespace Foam
+
+// ************************************************************************* //

src/lagrangian/cfdemParticle/subModels/forceModelMS/DiFeliceDragMS/DiFeliceDragMS.H

@@ -0,0 +1,121 @@
+/*---------------------------------------------------------------------------*\
+    CFDEMcoupling - Open Source CFD-DEM coupling
+
+    CFDEMcoupling is part of the CFDEMproject
+    www.cfdem.com
+                                Christoph Goniva, christoph.goniva@cfdem.com
+                                Copyright 2009-2012 JKU Linz
+                                Copyright 2012-     DCS Computing GmbH, Linz
+-------------------------------------------------------------------------------
+License
+    This file is part of CFDEMcoupling.
+
+    CFDEMcoupling 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.
+
+    CFDEMcoupling 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 CFDEMcoupling; if not, write to the Free Software Foundation,
+    Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
+
+Description
+    This code is designed to realize coupled CFD-DEM simulations using LIGGGHTS
+    and OpenFOAM(R). Note: this code is not part of OpenFOAM(R) (see DISCLAIMER).
+
+Class
+    DiFeliceDragMS
+
+SourceFiles
+    DiFeliceDragMS.C
+
+\*---------------------------------------------------------------------------*/
+
+#ifndef DiFeliceDragMS_H
+#define DiFeliceDragMS_H
+
+#include "cfdemCloudMS.H"
+#include "forceModelMS.H"
+#include "interpolationCellPoint.H"
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+namespace Foam
+{
+
+/*---------------------------------------------------------------------------*\
+                           Class DiFeliceDragMS Declaration
+\*---------------------------------------------------------------------------*/
+
+class DiFeliceDragMS
+:
+    public forceModelMS
+{
+private:
+    dictionary propsDict_;
+
+    bool verbose_;
+
+    word velFieldName_;
+
+    const volVectorField& U_;
+
+    word densityFieldName_;
+
+    const volScalarField& rho_;
+
+    word voidfractionFieldName_;
+
+    const volScalarField& voidfraction_;
+
+    bool interpolation_; // use interpolated U field values
+
+    //scalar sphereToClump_; // ratio of sphere radius to clump radius
+
+    scalar dH_; // hydraulic diameter
+
+public:
+
+    //- Runtime type information
+    TypeName("DiFeliceDragMS");
+
+
+    // Constructors
+
+        //- Construct from components
+        DiFeliceDragMS
+        (
+            const dictionary& dict,
+            cfdemCloudMS& sm
+        );
+
+    // Destructor
+
+        ~DiFeliceDragMS();
+
+
+    // Member Functions
+        void setForce
+        (
+            double** const& mask,
+            double**&,
+            double**&,
+            double**&
+        ) const;
+};
+
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+} // End namespace Foam
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+#endif
+
+// ************************************************************************* //

src/lagrangian/cfdemParticle/subModels/forceModelMS/forceModelMS/forceModelMS.C

@@ -0,0 +1,76 @@
+/*---------------------------------------------------------------------------*\
+    CFDEMcoupling - Open Source CFD-DEM coupling
+
+    CFDEMcoupling is part of the CFDEMproject
+    www.cfdem.com
+                                Christoph Goniva, christoph.goniva@cfdem.com
+                                Copyright 2009-2012 JKU Linz
+                                Copyright 2012-     DCS Computing GmbH, Linz
+-------------------------------------------------------------------------------
+License
+    This file is part of CFDEMcoupling.
+
+    CFDEMcoupling 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.
+
+    CFDEMcoupling 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 CFDEMcoupling; if not, write to the Free Software Foundation,
+    Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
+
+Description
+    This code is designed to realize coupled CFD-DEM simulations using LIGGGHTS
+    and OpenFOAM(R). Note: this code is not part of OpenFOAM(R) (see DISCLAIMER).
+\*---------------------------------------------------------------------------*/
+
+#include "error.H"
+#include "forceModelMS.H"
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+namespace Foam
+{
+
+// * * * * * * * * * * * * * * Static Data Members * * * * * * * * * * * * * //
+
+defineTypeNameAndDebug(forceModelMS, 0);
+
+defineRunTimeSelectionTable(forceModelMS, dictionary);
+
+// * * * * * * * * * * * * * * Member Functions  * * * * * * * * * * * * * //
+
+// * * * * * * * * * * * * * * * * Constructors  * * * * * * * * * * * * * * //
+
+// Construct from components
+forceModelMS::forceModelMS
+(
+    const dictionary& dict,
+    cfdemCloudMS& sm
+)
+:
+    forceModel(dict,sm),
+    particleCloudMS_(sm)
+{}
+
+
+// * * * * * * * * * * * * * * * * Destructor  * * * * * * * * * * * * * * * //
+
+forceModelMS::~forceModelMS()
+{}
+
+// * * * * * * * * * * * * * * * * Member Fct  * * * * * * * * * * * * * * * //
+cfdemCloudMS& forceModelMS::cloudRefMS() const
+{
+    return particleCloudMS_;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+} // End namespace Foam
+
+// ************************************************************************* //

src/lagrangian/cfdemParticle/subModels/forceModelMS/forceModelMS/forceModelMS.H

@@ -0,0 +1,124 @@
+/*---------------------------------------------------------------------------*\
+    CFDEMcoupling - Open Source CFD-DEM coupling
+
+    CFDEMcoupling is part of the CFDEMproject
+    www.cfdem.com
+                                Christoph Goniva, christoph.goniva@cfdem.com
+                                Copyright 2009-2012 JKU Linz
+                                Copyright 2012-     DCS Computing GmbH, Linz
+-------------------------------------------------------------------------------
+License
+    This file is part of CFDEMcoupling.
+
+    CFDEMcoupling 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.
+
+    CFDEMcoupling 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 CFDEMcoupling; if not, write to the Free Software Foundation,
+    Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
+
+Description
+    This code is designed to realize coupled CFD-DEM simulations using LIGGGHTS
+    and OpenFOAM(R). Note: this code is not part of OpenFOAM(R) (see DISCLAIMER).
+
+Class
+    forceModelMS
+
+SourceFiles
+    forceModelMS.C
+
+\*---------------------------------------------------------------------------*/
+
+#ifndef forceModelMS_H
+#define forceModelMS_H
+
+#include "fvCFD.H"
+#include "cfdemCloudMS.H"
+#include "forceModel.H"
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+namespace Foam
+{
+/*---------------------------------------------------------------------------*\
+                           Class forceModelMS Declaration
+\*---------------------------------------------------------------------------*/
+
+class forceModelMS
+:
+    public forceModel
+{
+
+protected:
+
+        cfdemCloudMS& particleCloudMS_;
+
+
+public:
+
+    //- Runtime type information
+    TypeName("forceModelMS");
+
+    // Declare runtime constructor selection table
+
+        declareRunTimeSelectionTable
+        (
+            autoPtr,
+            forceModelMS,
+            dictionary,
+            (
+                const dictionary& dict,
+                cfdemCloudMS& sm
+            ),
+            (dict,sm)
+        );
+
+
+    // Constructors
+
+        //- Construct from components
+        forceModelMS
+        (
+            const dictionary& dict,
+            cfdemCloudMS& sm
+        );
+
+
+    // Destructor
+
+        virtual ~forceModelMS();
+
+
+    // Selector
+
+        static autoPtr<forceModelMS> New
+        (
+            const dictionary& dict,
+            cfdemCloudMS& sm,
+            word forceType
+        );
+
+
+    // Member Functions
+
+
+    // Access
+        cfdemCloudMS& cloudRefMS() const;
+};
+
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+} // End namespace Foam
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+#endif
+
+// ************************************************************************* //

src/lagrangian/cfdemParticle/subModels/forceModelMS/forceModelMS/newForceModelMS.C

@@ -0,0 +1,79 @@
+/*---------------------------------------------------------------------------*\
+    CFDEMcoupling - Open Source CFD-DEM coupling
+
+    CFDEMcoupling is part of the CFDEMproject
+    www.cfdem.com
+                                Christoph Goniva, christoph.goniva@cfdem.com
+                                Copyright 2009-2012 JKU Linz
+                                Copyright 2012-     DCS Computing GmbH, Linz
+-------------------------------------------------------------------------------
+License
+    This file is part of CFDEMcoupling.
+
+    CFDEMcoupling 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.
+
+    CFDEMcoupling 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 CFDEMcoupling; if not, write to the Free Software Foundation,
+    Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
+
+Description
+    This code is designed to realize coupled CFD-DEM simulations using LIGGGHTS
+    and OpenFOAM(R). Note: this code is not part of OpenFOAM(R) (see DISCLAIMER).
+\*---------------------------------------------------------------------------*/
+
+#include "error.H"
+
+#include "forceModelMS.H"
+#include "DiFeliceDrag.H"
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+namespace Foam
+{
+
+// * * * * * * * * * * * * * * * * Constructors  * * * * * * * * * * * * * * //
+
+autoPtr<forceModelMS> forceModelMS::New
+(
+    const dictionary& dict,
+    cfdemCloudMS& sm,
+    word forceType
+)
+{
+    Info<< "Selecting forceModelMS "
+         << forceType << endl;
+
+    dictionaryConstructorTable::iterator cstrIter =
+        dictionaryConstructorTablePtr_->find(forceType);
+
+    if (cstrIter == dictionaryConstructorTablePtr_->end())
+    {
+        FatalError
+            << "forceModelMS::New(const dictionary&, const spray&) : "
+            << endl
+            << "    unknown forceModelType type "
+            << forceType
+            << ", constructor not in hash table" << endl << endl
+            << "    Valid forceModelMS types are :"
+            << endl;
+        Info<< dictionaryConstructorTablePtr_->toc()
+            << abort(FatalError);
+    }
+
+    return autoPtr<forceModelMS>(cstrIter()(dict,sm));
+}
+
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+} // End namespace Foam
+
+// ************************************************************************* //

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

@@ -69,12 +69,18 @@ dividedVoidFraction::dividedVoidFraction
     alphaMin_(readScalar(propsDict_.lookup("alphaMin"))),
     alphaLimited_(0),
     tooMuch_(0.0),
-    scaleUpVol_(readScalar(propsDict_.lookup("scaleUpVol")))
+    scaleUpVol_(readScalar(propsDict_.lookup("scaleUpVol"))),
+    interpolation_(false)
 {
     maxCellsPerParticle_ = 29;
 
     if(scaleUpVol_ > 1.3 || scaleUpVol_ < 1){ FatalError<< "scaleUpVol shloud be > 1 and < 1.3 !!!" << abort(FatalError); }
     if(alphaMin_ > 1 || alphaMin_ < 0.01){ FatalError<< "alphaMin shloud be > 1 and < 0.01 !!!" << abort(FatalError); }
+    if (propsDict_.found("interpolation")){
+        interpolation_=true;
+        Warning << "interpolation for dividedVoidFraction does not yet work correctly!" << endl;
+        Info << "Using interpolated voidfraction field - do not use this in combination with interpolation in drag model!"<< endl;
+    }
 }
 
 
@@ -90,6 +96,12 @@ void dividedVoidFraction::setvoidFraction(double** const& mask,double**& voidfra
 {
     reAllocArrays();
 
+    scalar pi = M_PI;
+    vector position(0,0,0);
+    label cellID=-1;
+    scalar radius(-1);
+    scalar cellVol(0);
+
     for(int index=0; index< particleCloud_.numberOfParticles(); index++)
     {
         if(mask[index][0])
@@ -101,14 +113,12 @@ void dividedVoidFraction::setvoidFraction(double** const& mask,double**& voidfra
             }
 
             cellsPerParticle_[index][0]=1;
-
+            position = particleCloud_.position(index);
-            scalar pi = M_PI;
+            cellID = particleCloud_.cellIDs()[index][0];
-            vector position = particleCloud_.position(index);
+            radius = particleCloud_.radii()[index][0];
-            label cellID = particleCloud_.cellIDs()[index][0];
-            scalar radius = particleCloud_.radii()[index][0];
             scalar volume =  4./3.*radius*radius*radius*3.1415;
             radius = radius*pow(scaleUpVol_,1/3);
-            scalar cellVol(0);
+            cellVol=0;
 
             //--variables for sub-search
             int nPoints = 29;
@@ -195,20 +205,53 @@ void dividedVoidFraction::setvoidFraction(double** const& mask,double**& voidfra
         if(index == particleCloud_.numberOfParticles()-1) Info << "Total particle volume neglected: " << tooMuch_<< endl;
     }// end loop all particles
 
-    // bring voidfraction from Eulerian Field to particle array
+    // bring voidfraction from Eulerian Field to particle arra
+//    interpolationCellPoint<scalar> voidfractionInterpolator_(voidfractionNext_);
+    scalar voidfractionAtPos(0);
     for(int index=0; index< particleCloud_.numberOfParticles(); index++)
     {
-        for(int subcell=0;subcell<cellsPerParticle_[index][0];subcell++)
+/*        if(interpolation_)
         {
-            label cellID = particleCloud_.cellIDs()[index][subcell];
+            label cellI = particleCloud_.cellIDs()[index][0];
-
+            if(cellI >= 0)
-            if(cellID >= 0)
             {
-                voidfractions[index][subcell] = voidfractionNext_[cellID];
+                position = particleCloud_.position(index);
+                voidfractionAtPos=voidfractionInterpolator_.interpolate(position,cellI);
+            }else{
+                voidfractionAtPos=-1;
             }
-            else
+    
+            for(int subcell=0;subcell<cellsPerParticle_[index][0];subcell++)
             {
-                voidfractions[index][subcell] = -1.;
+                label cellID = particleCloud_.cellIDs()[index][subcell];
+
+                if(cellID >= 0)
+                {
+                    if(voidfractionAtPos > 0)
+                        voidfractions[index][subcell] = voidfractionAtPos;
+                    else
+                        voidfractions[index][subcell] = voidfractionNext_[cellID];
+                } 
+                else
+                {
+                    voidfractions[index][subcell] = -1.;
+                }
+            }
+        }
+        else*/
+        {
+            for(int subcell=0;subcell<cellsPerParticle_[index][0];subcell++)
+            {
+                label cellID = particleCloud_.cellIDs()[index][subcell];
+
+                if(cellID >= 0)
+                {
+                    voidfractions[index][subcell] = voidfractionNext_[cellID];
+                } 
+                else
+                {
+                    voidfractions[index][subcell] = -1.;
+                }
             }
         }
     }

src/lagrangian/cfdemParticle/subModels/voidFractionModel/dividedVoidFraction/dividedVoidFraction.H

@@ -40,6 +40,7 @@ SourceFiles
 #define dividedVoidFraction_H
 
 #include "voidFractionModel.H"
+#include "interpolationCellPoint.H"
 
 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
@@ -66,6 +67,8 @@ private:
 
         const scalar scaleUpVol_;        //NP scaling radius, keeping volume of particle
 
+        bool interpolation_;
+
 public:
 
     //- Runtime type information

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

@@ -0,0 +1,223 @@
+/*---------------------------------------------------------------------------*\
+    CFDEMcoupling - Open Source CFD-DEM coupling
+
+    CFDEMcoupling is part of the CFDEMproject
+    www.cfdem.com
+                                Christoph Goniva, christoph.goniva@cfdem.com
+                                Copyright 2009-2012 JKU Linz
+                                Copyright 2012-     DCS Computing GmbH, Linz
+-------------------------------------------------------------------------------
+License
+    This file is part of CFDEMcoupling.
+
+    CFDEMcoupling 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.
+
+    CFDEMcoupling 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 CFDEMcoupling; if not, write to the Free Software Foundation,
+    Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
+
+Description
+    This code is designed to realize coupled CFD-DEM simulations using LIGGGHTS
+    and OpenFOAM(R). Note: this code is not part of OpenFOAM(R) (see DISCLAIMER).
+\*---------------------------------------------------------------------------*/
+
+#include "error.H"
+
+#include "dividedVoidFractionMS.H"
+#include "addToRunTimeSelectionTable.H"
+#include "locateModel.H"
+#include "regionModel.H"
+#include "dataExchangeModel.H"
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+namespace Foam
+{
+
+// * * * * * * * * * * * * * * Static Data Members * * * * * * * * * * * * * //
+
+defineTypeNameAndDebug(dividedVoidFractionMS, 0);
+
+addToRunTimeSelectionTable
+(
+    voidFractionModel,
+    dividedVoidFractionMS,
+    dictionary
+);
+
+
+// * * * * * * * * * * * * * * * * Constructors  * * * * * * * * * * * * * * //
+
+// Construct from components
+dividedVoidFractionMS::dividedVoidFractionMS
+(
+    const dictionary& dict,
+    cfdemCloud& sm
+)
+:
+    voidFractionModel(dict,sm),
+    propsDict_(dict.subDict(typeName + "Props")),
+    alphaMin_(readScalar(propsDict_.lookup("alphaMin"))),
+    alphaLimited_(0),
+    tooMuch_(0.0),
+    scaleUpVol_(readScalar(propsDict_.lookup("scaleUpVol"))),
+    clumpVol_(readScalar(propsDict_.lookup("clumpVol"))),
+    nrigid_(readScalar(propsDict_.lookup("nrigid")))
+{
+    maxCellsPerParticle_ = 29;
+
+    if(scaleUpVol_ > 1.3 || scaleUpVol_ < 1){ FatalError<< "scaleUpVol shloud be > 1 and < 1.3 !!!" << abort(FatalError); }
+    if(alphaMin_ > 1 || alphaMin_ < 0.01){ FatalError<< "alphaMin shloud be > 1 and < 0.01 !!!" << abort(FatalError); }
+}
+
+
+// * * * * * * * * * * * * * * * * Destructor  * * * * * * * * * * * * * * * //
+
+dividedVoidFractionMS::~dividedVoidFractionMS()
+{}
+
+
+// * * * * * * * * * * * * * * * Member Functions  * * * * * * * * * * * * * //
+
+void dividedVoidFractionMS::setvoidFraction(double** const& mask,double**& voidfractions,double**& particleWeights,double**& particleVolumes) const
+{
+    reAllocArrays();
+
+    for(int index=0; index< particleCloud_.numberOfParticles(); index++)
+    {
+        if(mask[index][0])
+        {
+            // reset
+            for(int subcell=0;subcell<cellsPerParticle_[index][0];subcell++){
+                particleWeights[index][subcell]=0;
+                particleVolumes[index][subcell]=0;
+            }
+
+            cellsPerParticle_[index][0]=1;
+
+            scalar pi = M_PI;
+            vector position = particleCloud_.position(index);
+            label cellID = particleCloud_.cellIDs()[index][0];
+            scalar radius = particleCloud_.radii()[index][0];
+            scalar volume =  clumpVol_/nrigid_;
+            radius = radius*pow(scaleUpVol_,1/3);
+            scalar cellVol(1);
+
+            //--variables for sub-search
+            int nPoints = 29;
+            int nNotFound=0,nUnEqual=0,nTotal=0;
+            vector offset(0,0,0);
+            int cellsSet = 0;
+
+            if (cellID >= 0)  // particel centre is in domain
+            {
+                cellVol = particleCloud_.mesh().V()[cellID];
+
+                //NP for 2 different radii
+                for(scalar r = 0.623926*radius;r < radius;r+=0.293976*radius)
+                {
+                    //NP try 8 subpoint derived from spherical coordinates
+	            for (scalar zeta=pi/4.;zeta<(2.*pi);zeta+=(pi/2.))
+	            {
+                        for (scalar theta=(pi/4.);theta<pi;theta+=(pi/2.))
+	                {
+	                    offset[0]=double(r)*Foam::sin(theta)*Foam::cos(zeta);
+	                    offset[1]=double(r)*Foam::sin(theta)*Foam::sin(zeta);
+	                    offset[2]=double(r)*Foam::cos(theta);
+                            #include "../dividedVoidFraction/setWeightedSource.H"   // set source terms at position+offset
+	                }
+                    }
+	            //NP try 2 more subpoints for each coordinate direction (6 total)
+	            for (int j=-1;j<=1;j+=2)
+	            {
+	    	        offset[0]=double(r)*(double(j));
+	                offset[1]=double(0.);offset[2]=double(0.);
+                        #include "../dividedVoidFraction/setWeightedSource.H"   //NP set source terms at position+offset
+	                offset[1]=double(r)*(double(j));
+	                offset[0]=double(0.);offset[2]=double(0.);
+                        #include "../dividedVoidFraction/setWeightedSource.H"   //NP set source terms at position+offset
+
+	                offset[2]=double(r)*(double(j));
+	                offset[0]=double(0.);offset[1]=double(0.);
+
+                        #include "../dividedVoidFraction/setWeightedSource.H"   //NP set source terms at position+offset
+	            }
+                }// end loop radiivoidfractions
+
+	        if(cellsSet>29 || cellsSet<0)
+                {
+	            Info << "ERROR  cellsSet =" << cellsSet << endl;
+        	}
+
+                //NP set source for particle center; source 1/nPts+weight of all subpoints that have not been found
+                scalar centreWeight = 1./nPoints*(nPoints-cellsSet);
+
+                // update voidfraction for each particle read
+                scalar newAlpha = voidfractionNext_[cellID]- volume*centreWeight/cellVol;
+                if(newAlpha > alphaMin_) voidfractionNext_[cellID] = newAlpha;
+                else
+                {
+                    voidfractionNext_[cellID] = alphaMin_;
+                    tooMuch_ += (alphaMin_-newAlpha) * cellVol;
+                }
+
+                // store cellweight for each particle --- this should be done for subpoints as well!!
+                particleWeights[index][0] += centreWeight;
+
+                // store particleVolume for each particle
+                particleVolumes[index][0] += volume*centreWeight;
+
+                /*//OUTPUT
+                if (index==0)
+                {
+                    Info << "centre cellID = " << cellID << endl;
+                    Info << "cellsPerParticle_=" << cellsPerParticle_[index][0] << endl;
+
+                    for(int i=0;i<cellsPerParticle_[index][0];i++)
+                    {
+                       if(i==0)Info << "cellids, voidfractions, particleWeights, : \n";
+                       Info << particleCloud_.cellIDs()[index][i] << " ," << endl;
+                       Info << voidfractions[index][i] << " ," << endl;
+                       Info << particleWeights[index][i] << " ," << endl;
+                     }
+                }*/
+
+            }// end if in cell
+        }// end if in mask
+        //NP reset counter of lost volume
+        if(index == particleCloud_.numberOfParticles()-1) Info << "Total particle volume neglected: " << tooMuch_<< endl;
+    }// end loop all particles
+
+    // bring voidfraction from Eulerian Field to particle array
+    for(int index=0; index< particleCloud_.numberOfParticles(); index++)
+    {
+        for(int subcell=0;subcell<cellsPerParticle_[index][0];subcell++)
+        {
+            label cellID = particleCloud_.cellIDs()[index][subcell];
+
+            if(cellID >= 0)
+            {
+                voidfractions[index][subcell] = voidfractionNext_[cellID];
+            }
+            else
+            {
+                voidfractions[index][subcell] = -1.;
+            }
+        }
+    }
+}
+
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+} // End namespace Foam
+
+// ************************************************************************* //

src/lagrangian/cfdemParticle/subModels/voidFractionModel/dividedVoidFractionMS/dividedVoidFractionMS.H

@@ -0,0 +1,106 @@
+/*---------------------------------------------------------------------------*\
+    CFDEMcoupling - Open Source CFD-DEM coupling
+
+    CFDEMcoupling is part of the CFDEMproject
+    www.cfdem.com
+                                Christoph Goniva, christoph.goniva@cfdem.com
+                                Copyright 2009-2012 JKU Linz
+                                Copyright 2012-     DCS Computing GmbH, Linz
+-------------------------------------------------------------------------------
+License
+    This file is part of CFDEMcoupling.
+
+    CFDEMcoupling 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.
+
+    CFDEMcoupling 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 CFDEMcoupling; if not, write to the Free Software Foundation,
+    Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
+
+Description
+    This code is designed to realize coupled CFD-DEM simulations using LIGGGHTS
+    and OpenFOAM(R). Note: this code is not part of OpenFOAM(R) (see DISCLAIMER).
+
+Class
+    dividedVoidFractionMS
+
+SourceFiles
+    dividedVoidFractionMS.C
+
+\*---------------------------------------------------------------------------*/
+
+#ifndef dividedVoidFractionMS_H
+#define dividedVoidFractionMS_H
+
+#include "voidFractionModel.H"
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+namespace Foam
+{
+
+/*---------------------------------------------------------------------------*\
+                           Class noDrag Declaration
+\*---------------------------------------------------------------------------*/
+
+class dividedVoidFractionMS
+:
+    public voidFractionModel
+{
+
+private:
+        dictionary propsDict_;
+
+        const scalar alphaMin_;          //NP min value of voidFraction
+
+	mutable bool alphaLimited_;
+
+        mutable scalar tooMuch_;         //NP particle volume which is lost due to voidFraction limitation
+
+        const scalar scaleUpVol_;        //NP scaling radius, keeping volume of particle
+
+        const scalar clumpVol_;
+
+        const int nrigid_;
+
+public:
+
+    //- Runtime type information
+    TypeName("dividedMS");
+
+
+    // Constructors
+
+        //- Construct from components
+        dividedVoidFractionMS
+        (
+            const dictionary& dict,
+            cfdemCloud& sm
+        );
+
+    // Destructor
+
+        ~dividedVoidFractionMS();
+
+
+    // Member Functions
+        void setvoidFraction(double** const& ,double**&, double**&, double**&) const;
+};
+
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+} // End namespace Foam
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+#endif
+
+// ************************************************************************* //

tutorials/cfdemSolverIB/twoSpheresGlowinskiMPI/parCFDDEMrun.sh

@@ -21,7 +21,7 @@ logfileName="log_$headerText"
 solverName="cfdemSolverIB"
 nrProcs="8"
 machineFileName="none"   # yourMachinefileName | none
-debugMode="off"          # on | off
+debugMode="off"          # on | off | prof
 testHarnessPath="$CFDEM_TEST_HARNESS_PATH"
 runOctave="true"
 postproc="false"
@@ -66,6 +66,8 @@ cp ../../$logfileName $testHarnessPath
 #- clean up case
 echo "deleting data at: $casePath"
 rm -r $casePath/CFD/0.*
+rm -r $casePath/CFD/callgrind.*
+rm -r $casePath/CFD/*.out
 rm -r $casePath/CFD/VTK
 rm -r $casePath/CFD/couplingFiles/*
 rm -r $casePath/CFD/processor*

tutorials/cfdemSolverPiso/ErgunTestMPI/CFD/constant/couplingProperties

@@ -49,8 +49,8 @@ clockModel standardClock;//off;
 forceModels
 (
     //GidaspowDrag
-    DiFeliceDrag
+    //DiFeliceDrag
-    //KochHillDrag
+    KochHillDrag
     gradPForce
     viscForce
     //Archimedes
@@ -132,6 +132,7 @@ KochHillDragProps
 {
     velFieldName "U";
     densityFieldName "rho";
+    voidfractionFieldName "voidfraction";
 }
 
 virtualMassForceProps

tutorials/cfdemSolverPiso/ErgunTestMPI/CFD/system/controlDict

@@ -29,7 +29,7 @@ deltaT          0.001;
 
 writeControl    adjustableRunTime;
 
-writeInterval   0.001;//0.01;
+writeInterval   0.01;
 
 purgeWrite      0;
 

tutorials/cfdemSolverPiso/ErgunTestMPI/parCFDDEMrun.sh

@@ -21,7 +21,7 @@ logfileName="log_$headerText"
 solverName="cfdemSolverPiso"
 nrProcs="8"
 machineFileName="none"   # yourMachinefileName | none
-debugMode="off"          # on | off
+debugMode="off"          # on | off | prof
 testHarnessPath="$CFDEM_TEST_HARNESS_PATH"
 runOctave="true"
 postproc="false"
@@ -83,6 +83,8 @@ fi
 #- clean up case
 echo "deleting data at: $casePath :\n"
 rm -r $casePath/CFD/0.*
+rm -r $casePath/CFD/callgrind.*
+rm -r $casePath/CFD/*.out
 rm -r $casePath/CFD/log.*
 rm -r $casePath/CFD/octave/octave-core
 rm -r $casePath/CFD/VTK

tutorials/cfdemSolverPiso/ErgunTestMPI_restart/Allrun.sh

@@ -98,6 +98,8 @@ fi
 
 #- clean up case
 rm -rf $casePath/CFD/0.*
+rm -r $casePath/CFD/callgrind.*
+rm -r $casePath/CFD/*.out
 rm -r $casePath/CFD/clockData
 rm -rf $casePath/CFD/processor*
 rm -r $casePath/CFD/VTK

tutorials/cfdemSolverPiso/ErgunTestMPI_restart/DEM/post/dummy

@@ -23,3 +23,5 @@ dummyfile
 dummyfile
 dummyfile
 dummyfile
+dummyfile
+dummyfile

tutorials/cfdemSolverPiso/ErgunTestMPI_restart/parCFDDEMrun.sh

@@ -21,7 +21,7 @@ logfileName="log_$headerText"
 solverName="cfdemSolverPiso"
 nrProcs="2"
 machineFileName="none"   # yourMachinefileName | none
-debugMode="off"          # on | off
+debugMode="off"          # on | off | prof
 testHarnessPath="$CFDEM_TEST_HARNESS_PATH"
 #--------------------------------------------------------------------------------#
 

tutorials/cfdemSolverPiso/settlingTestMPI/parCFDDEMrun.sh

@@ -21,7 +21,7 @@ logfileName="log_$headerText"
 solverName="cfdemSolverPiso"
 nrProcs="2"
 machineFileName="none"   # yourMachinefileName | none
-debugMode="off"          # on | off
+debugMode="off"          # on | off | prof
 testHarnessPath="$CFDEM_TEST_HARNESS_PATH"
 runOctave="true"
 postproc="false"
@@ -78,6 +78,8 @@ fi
 #- clean up case
 echo "deleting data at: $casePath :\n"
 rm -r $casePath/CFD/0.*
+rm -r $casePath/CFD/callgrind.*
+rm -r $casePath/CFD/*.out
 rm -r $casePath/CFD/log.*
 rm -r $casePath/CFD/octave/octave-core
 rm -r $casePath/CFD/VTK

tutorials/cfdemSolverPisoMS/ErgunTestMPI/Allrun.sh

@@ -0,0 +1,62 @@
+#!/bin/bash
+
+#===================================================================#
+# allrun script for testcase as part of test routine 
+# run settlingTest
+# Christoph Goniva - Sept. 2010
+#===================================================================#
+
+#- define variables
+casePath="$(dirname "$(readlink -f ${BASH_SOURCE[0]})")"
+pizzaPath="$CFDEM_PIZZA_DIR"
+postproc="false"
+nrPostProcProcessors=2
+
+# check if mesh was built
+if [ -d "$casePath/CFD/constant/polyMesh/boundary" ]; then
+    echo "mesh was built before - using old mesh"
+else
+    echo "mesh needs to be built"
+    cd $casePath/CFD
+    blockMesh
+fi
+
+#- run parallel CFD-DEM in new terminal
+gnome-terminal --title='cfdemSolverPisoMS ErgunTestMPI CFD'  -e "bash $casePath/parCFDDEMrun.sh" 
+
+if [ $postproc == "true" ]
+  then
+
+    #- keep terminal open (if started in new terminal)
+    echo "simulation finisehd? ...press enter to proceed"
+    read
+
+    #- get VTK data from liggghts dump file
+    cd $casePath/DEM
+    python $pizzaPath/pizza.py -f pizzaScriptRestart
+
+    #- get VTK data from CFD sim
+    cd $casePath/CFD
+    #foamToVTK                                                   #- serial run of foamToVTK
+    source $CFDEM_SRC_DIR/etc/functions.sh                       #- include functions
+    pseudoParallelRun "foamToVTK" $nrPostProcProcessors          #- pseudo parallel run of foamToVTK
+
+    #- start paraview
+    paraview
+
+    #- keep terminal open (if started in new terminal)
+    echo "...press enter to clean up case"
+    echo "press Ctr+C to keep data"
+    read
+
+    #- clean up case
+    echo "deleting data at: $casePath"
+    rm -r $casePath/CFD/0.*
+    rm -r $casePath/CFD/VTK
+    rm -r $casePath/CFD/couplingFiles/*
+    rm -r $casePath/DEM/post/*
+    rm -r $casePath/DEM/log.*
+    rm -r $casePath/log_*
+    echo "done"
+
+fi

tutorials/cfdemSolverPisoMS/ErgunTestMPI/CFD/0/Ksl

@@ -0,0 +1,41 @@
+/*--------------------------------*- C++ -*----------------------------------*\
+| =========                 |                                                 |
+| \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox           |
+|  \\    /   O peration     | Version:  1.6                                   |
+|   \\  /    A nd           | Web:      www.OpenFOAM.org                      |
+|    \\/     M anipulation  |                                                 |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+    version     2.0;
+    format      ascii;
+    class       volScalarField;
+    location    "0";
+    object      Ksl;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+dimensions      [1 -3 -1 0 0 0 0];
+
+internalField   uniform 0;
+
+boundaryField
+{
+    wall
+    {
+        type            zeroGradient;
+        //type            fixedValue;
+        //value           uniform 0;
+    }
+    inlet
+    {
+        type            zeroGradient;
+    }
+    outlet
+    {
+        type            zeroGradient;
+    }
+}
+
+
+// ************************************************************************* //

tutorials/cfdemSolverPisoMS/ErgunTestMPI/CFD/0/U

@@ -0,0 +1,72 @@
+/*--------------------------------*- C++ -*----------------------------------*\
+| =========                 |                                                 |
+| \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox           |
+|  \\    /   O peration     | Version:  1.6                                   |
+|   \\  /    A nd           | Web:      http://www.OpenFOAM.org               |
+|    \\/     M anipulation  |                                                 |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+    version     2.0;
+    format      ascii;
+    class       volVectorField;
+    object      U;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+dimensions      [0 1 -1 0 0 0 0];
+
+internalField   uniform (0 0 0.1);
+
+boundaryField
+{
+
+    wall
+    {
+        //type            fixedValue;
+        //value           uniform (0 0 0);
+        type            slip;
+    }
+
+    inlet
+    {
+        /*type            flowRateInletVelocity;
+        flowRate        0.001;
+        value           uniform (0 0 0);*/
+
+/*        type            fixedValue;
+        value           uniform (0 0 0.1);*/
+
+        //type            zeroGradient;
+
+        /*// superficial velocity BC
+        type            groovyBC;
+        variables       "Usup=vector(0,0,2);alpha=voidfraction;tEnd=0.1;"; // should be used with zeroGradient voidfraction
+        valueExpression "((time() < tEnd) ? Usup/alpha*(time()/tEnd) :  Usup/alpha)";
+        value           uniform (0 0 0);*/
+
+        /*// 2.0.x, ext
+        type            timeVaryingUniformFixedValue;
+        fileName        "steps_0p1s";
+        outOfBounds     clamp;
+        value           uniform (0 0 0);*/
+
+        // 2.1.x
+        type            uniformFixedValue;
+        uniformValue     table
+        (
+        (0.000 (0 0 0.))
+        (0.099 (0 0 2))
+        (0.100 (0 0 2))
+        );
+    }
+    outlet
+    {
+        /*type            fluxCorrectedVelocity; //inletOutlet;
+        value           uniform (0 0 0);
+        inletValue      uniform (0 0 0);*/
+        type            zeroGradient;
+    }
+}
+
+// ************************************************************************* //

tutorials/cfdemSolverPisoMS/ErgunTestMPI/CFD/0/Us

@@ -0,0 +1,45 @@
+/*--------------------------------*- C++ -*----------------------------------*\
+| =========                 |                                                 |
+| \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox           |
+|  \\    /   O peration     | Version:  1.6                                   |
+|   \\  /    A nd           | Web:      www.OpenFOAM.org                      |
+|    \\/     M anipulation  |                                                 |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+    version     2.0;
+    format      ascii;
+    class       volVectorField;
+    location    "0";
+    object      Us;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+dimensions      [0 1 -1 0 0 0 0];
+
+internalField   uniform (0 0 0);
+
+boundaryField
+{
+    wall
+    {
+        type            zeroGradient;
+        //type            fixedValue;
+        //value           uniform (1 0 0);
+    }
+    inlet
+    {
+        type            zeroGradient;
+        //type            fixedValue;
+        //value           uniform (1 0 0);;
+    }
+    outlet
+    {
+        type            zeroGradient;
+        //type            fixedValue;
+        //value           uniform (1 0 0);
+    }
+}
+
+
+// ************************************************************************* //

tutorials/cfdemSolverPisoMS/ErgunTestMPI/CFD/0/epsilon

@@ -0,0 +1,48 @@
+/*--------------------------------*- C++ -*----------------------------------*\
+| =========                 |                                                 |
+| \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox           |
+|  \\    /   O peration     | Version:  1.6                                   |
+|   \\  /    A nd           | Web:      www.OpenFOAM.org                      |
+|    \\/     M anipulation  |                                                 |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+    version     2.0;
+    format      ascii;
+    class       volScalarField;
+    location    "0";
+    object      epsilon;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+dimensions      [0 2 -3 0 0 0 0];
+
+internalField   uniform 0.003;
+
+boundaryField
+{
+    wall
+    {
+        type            epsilonWallFunction;
+        Cmu             0.09;
+        kappa           0.41;
+        E               9.8;
+        value           uniform 0.003;
+    }
+    outlet
+    {
+        type            inletOutlet;
+        inletValue      uniform 0.003;
+        value           uniform 0.003;
+    }
+    inlet
+    {
+        /*type            turbulentMixingLengthDissipationRateInlet;
+        mixingLength    0.005;
+        value           uniform 0.003;*/
+        type            zeroGradient;
+    }
+}
+
+
+// ************************************************************************* //

tutorials/cfdemSolverPisoMS/ErgunTestMPI/CFD/0/k

@@ -0,0 +1,45 @@
+/*--------------------------------*- C++ -*----------------------------------*\
+| =========                 |                                                 |
+| \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox           |
+|  \\    /   O peration     | Version:  1.6                                   |
+|   \\  /    A nd           | Web:      www.OpenFOAM.org                      |
+|    \\/     M anipulation  |                                                 |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+    version     2.0;
+    format      ascii;
+    class       volScalarField;
+    location    "0";
+    object      k;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+dimensions      [0 2 -2 0 0 0 0];
+
+internalField   uniform 0.001;
+
+boundaryField
+{
+    wall
+    {
+        type            kqRWallFunction;
+        value           uniform 0.001;
+    }
+    outlet
+    {
+        type            inletOutlet;
+        inletValue      uniform 0.001;
+        value           uniform 0.001;
+    }
+    inlet
+    {
+        /*type            turbulentIntensityKineticEnergyInlet;
+        intensity       0.05;
+        value           uniform 0.001;*/
+        type            zeroGradient;
+    }
+}
+
+
+// ************************************************************************* //

tutorials/cfdemSolverPisoMS/ErgunTestMPI/CFD/0/nut

@@ -0,0 +1,45 @@
+/*--------------------------------*- C++ -*----------------------------------*\
+| =========                 |                                                 |
+| \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox           |
+|  \\    /   O peration     | Version:  1.6                                   |
+|   \\  /    A nd           | Web:      www.OpenFOAM.org                      |
+|    \\/     M anipulation  |                                                 |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+    version     2.0;
+    format      ascii;
+    class       volScalarField;
+    location    "0";
+    object      nut;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+dimensions      [0 2 -1 0 0 0 0];
+
+internalField   uniform 0;
+
+boundaryField
+{
+    wall
+    {
+        type            nutWallFunction;
+        Cmu             0.09;
+        kappa           0.41;
+        E               9.8;
+        value           uniform 0;
+    }
+    outlet
+    {
+        type            calculated;
+        value           uniform 0;
+    }
+    inlet
+    {
+        type            calculated;
+        value           uniform 0;
+    }
+}
+
+
+// ************************************************************************* //

tutorials/cfdemSolverPisoMS/ErgunTestMPI/CFD/0/p

@@ -0,0 +1,43 @@
+/*--------------------------------*- C++ -*----------------------------------*\
+| =========                 |                                                 |
+| \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox           |
+|  \\    /   O peration     | Version:  1.6                                   |
+|   \\  /    A nd           | Web:      http://www.OpenFOAM.org               |
+|    \\/     M anipulation  |                                                 |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+    version     2.0;
+    format      ascii;
+    class       volScalarField;
+    object      p;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+dimensions      [0 2 -2 0 0 0 0];
+
+internalField   uniform 1.0e5;
+
+boundaryField
+{
+
+    wall
+    {
+        type            zeroGradient;
+    }
+
+    inlet
+    {
+        type            zeroGradient;
+        //type            fixedValue;
+        //value           uniform 100000;
+    }
+    outlet
+    {
+        //type            zeroGradient;
+        type            fixedValue;
+        value           uniform 100000;
+    }
+}
+
+// ************************************************************************* //

tutorials/cfdemSolverPisoMS/ErgunTestMPI/CFD/0/rho

@@ -0,0 +1,39 @@
+/*--------------------------------*- C++ -*----------------------------------*\
+| =========                 |                                                 |
+| \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox           |
+|  \\    /   O peration     | Version:  1.6                                   |
+|   \\  /    A nd           | Web:      http://www.OpenFOAM.org               |
+|    \\/     M anipulation  |                                                 |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+    version     2.0;
+    format      ascii;
+    class       volScalarField;
+    object      rho;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+dimensions      [1 -3 0 0 0 0 0];
+
+internalField   uniform 5;
+
+boundaryField
+{
+
+    wall
+    {
+        type            zeroGradient;
+    }
+
+    inlet
+    {
+        type            zeroGradient;
+    }
+    outlet
+    {
+        type            zeroGradient;
+    }
+}
+
+// ************************************************************************* //

tutorials/cfdemSolverPisoMS/ErgunTestMPI/CFD/0/voidfraction

@@ -0,0 +1,41 @@
+/*--------------------------------*- C++ -*----------------------------------*\
+| =========                 |                                                 |
+| \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox           |
+|  \\    /   O peration     | Version:  1.6                                   |
+|   \\  /    A nd           | Web:      www.OpenFOAM.org                      |
+|    \\/     M anipulation  |                                                 |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+    version     2.0;
+    format      ascii;
+    class       volScalarField;
+    location    "0";
+    object      voidfraction;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+dimensions      [0 0 0 0 0 0 0];
+
+internalField   uniform 1;
+
+boundaryField
+{
+    wall
+    {
+        type            zeroGradient;
+    }
+    outlet
+    {
+        type            fixedValue;
+        value           uniform 1;
+    }
+    inlet
+    {
+        type            fixedValue;
+        value           uniform 1;
+    }
+}
+
+
+// ************************************************************************* //

tutorials/cfdemSolverPisoMS/ErgunTestMPI/CFD/constant/RASProperties

@@ -0,0 +1,25 @@
+/*--------------------------------*- C++ -*----------------------------------*\
+| =========                 |                                                 |
+| \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox           |
+|  \\    /   O peration     | Version:  1.6                                   |
+|   \\  /    A nd           | Web:      www.OpenFOAM.org                      |
+|    \\/     M anipulation  |                                                 |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+    version     2.0;
+    format      ascii;
+    class       dictionary;
+    location    "constant";
+    object      RASProperties;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+RASModel        laminar;
+
+turbulence      off;
+
+printCoeffs     on;
+
+
+// ************************************************************************* //

tutorials/cfdemSolverPisoMS/ErgunTestMPI/CFD/constant/couplingProperties

@@ -0,0 +1,177 @@
+/*---------------------------------------------------------------------------*\
+| =========                 |                                                 |
+| \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox           |
+|  \\    /   O peration     | Version:  1.4                                   |
+|   \\  /    A nd           | Web:      http://www.openfoam.org               |
+|    \\/     M anipulation  |                                                 |
+\*---------------------------------------------------------------------------*/
+
+
+FoamFile
+{
+    version         2.0;
+    format          ascii;
+
+    root            "";
+    case            "";
+    instance        "";
+    local           "";
+
+    class           dictionary;
+    object          couplingProperties;
+}
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+//===========================================================================//
+// sub-models & settings
+verbose;
+
+modelType B; // A or B
+
+couplingInterval 100;
+
+voidFractionModel dividedMS;
+
+locateModel engine;
+
+meshMotionModel noMeshMotion;
+
+regionModel allRegion;
+
+IOModel basicIO;
+
+dataExchangeModel twoWayMPI;//twoWayFiles;//oneWayVTK;//
+
+averagingModel dense;//dilute;//
+
+clockModel off;
+
+forceModels
+(
+    off
+    Archimedes
+    volWeightedAverage
+);
+
+forceModelsMS
+(
+    DiFeliceDragMS
+);
+
+momCoupleModels
+(
+    implicitCouple
+);
+
+turbulenceModelType RASProperties;//LESProperties;//
+
+//===========================================================================//
+// sub-model properties
+
+implicitCoupleProps
+{
+    velFieldName "U";
+    granVelFieldName "Us";
+    voidfractionFieldName "voidfraction";
+}
+
+ArchimedesProps
+{
+    densityFieldName "rho";
+    gravityFieldName "g";
+}
+gradPForceProps
+{
+    pFieldName "p";
+    densityFieldName "rho";
+    velocityFieldName "U";
+    interpolation;
+}
+
+viscForceProps
+{
+    velocityFieldName "U";
+    densityFieldName "rho";
+    interpolation;
+}
+volWeightedAverageProps
+{
+    scalarFieldNames
+    (
+        voidfraction
+    );
+    vectorFieldNames
+    (
+    );
+    upperThreshold 0.999;
+    lowerThreshold 0;
+    verbose;
+}
+totalMomentumExchangeProps
+{
+    implicitMomExFieldName "Ksl";
+    explicitMomExFieldName "none";
+    fluidVelFieldName "U";
+    granVelFieldName "Us";
+    densityFieldName "rho";
+}
+
+DiFeliceDragMSProps
+{
+    velFieldName "U";
+    densityFieldName "rho";
+    voidfractionFieldName "voidfraction";
+    hydraulicDiameter 0.002;
+    verbose;
+}
+
+oneWayVTKProps
+{
+    couplingFilename "vtk_out%4.4d.vtk";
+    maxNumberOfParticles 30000;
+}
+
+twoWayFilesProps
+{
+    maxNumberOfParticles 10100;
+}
+
+centreProps
+{
+    alphaMin 0.10;
+}
+
+dividedMSProps
+{
+    alphaMin 0.05;
+    scaleUpVol 1.0;
+    clumpVol 1.8433e-9; // this is particles volume, not clump!
+    nrigid 10;
+}
+
+bigParticleProps
+{
+    alphaMin 0.05;
+    scaleUpVol 50.0;
+    maxCellsPerParticle 1000;
+}
+
+GaussProps
+{
+    maxCellsPerParticle 5000;
+    alphaMin 0.05;
+    scaleUpVol 10.0;
+}
+
+engineProps
+{
+    treeSearch true;
+}
+
+twoWayMPIProps
+{
+    maxNumberOfParticles 101000;
+    liggghtsPath "../DEM/in.liggghts_init";
+}
+// ************************************************************************* //

tutorials/cfdemSolverPisoMS/ErgunTestMPI/CFD/constant/g

@@ -0,0 +1,22 @@
+/*--------------------------------*- C++ -*----------------------------------*\
+| =========                 |                                                 |
+| \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox           |
+|  \\    /   O peration     | Version:  1.6                                   |
+|   \\  /    A nd           | Web:      www.OpenFOAM.org                      |
+|    \\/     M anipulation  |                                                 |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+    version     2.0;
+    format      ascii;
+    class       uniformDimensionedVectorField;
+    location    "constant";
+    object      g;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+dimensions      [0 1 -2 0 0 0 0];
+value           ( 0 0 0 );
+
+
+// ************************************************************************* //

tutorials/cfdemSolverPisoMS/ErgunTestMPI/CFD/constant/liggghtsCommands

@@ -0,0 +1,31 @@
+/*---------------------------------------------------------------------------*\
+| =========                 |                                                 |
+| \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox           |
+|  \\    /   O peration     | Version:  1.4                                   |
+|   \\  /    A nd           | Web:      http://www.openfoam.org               |
+|    \\/     M anipulation  |                                                 |
+\*---------------------------------------------------------------------------*/
+
+
+FoamFile
+{
+    version         2.0;
+    format          ascii;
+
+    root            "";
+    case            "";
+    instance        "";
+    local           "";
+
+    class           dictionary;
+    object          liggghtsCommands;
+}
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+liggghtsCommandModels
+(
+   runLiggghts
+);
+
+// ************************************************************************* //

tutorials/cfdemSolverPisoMS/ErgunTestMPI/CFD/constant/polyMesh/blockMeshDict

@@ -0,0 +1,154 @@
+/*--------------------------------*- C++ -*----------------------------------*\
+| =========                 |                                                 |
+| \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox           |
+|  \\    /   O peration     | Version:  2.0                                   |
+|   \\  /    A nd           | Web:      http://www.OpenFOAM.org               |
+|    \\/     M anipulation  |                                                 |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+version  2.0;
+format   ascii;
+class       dictionary;
+object      blockMeshDict;
+}
+// ************************************
+
+
+
+
+
+
+   meshGenApp blockMesh;
+   convertToMeters 1;
+
+    //64 mm column diameter
+    //15 cm length
+   
+   
+   
+    //Width of middle square section
+   
+   
+   
+   
+    //how many cells in the square section
+    //how many cells from square section to perimeter
+    // how many cells from top to bottom
+
+   vertices
+   (
+    ( 0.0069 0.0069 0.0  ) // Vertex fiveoclocksqb = 0 
+    (-0.0069 0.0069 0.0  ) // Vertex sevenoclocksqb = 1 
+    (-0.0069 -0.0069 0.0 ) // Vertex elevenoclocksqb = 2 
+    ( 0.0069 -0.0069 0.0 ) // Vertex oneoclocksqb = 3 
+   
+    ( 0.00975807358913172 0.00975807357161699 0.0 ) // Vertex fiveoclockcb = 4 
+    (-0.00975807358913172 0.00975807357161699 0.0) // Vertex sevenoclockcb = 5 
+    (-0.00975807358913172 -0.00975807357161699 0.0) // Vertex elevenoclockcb = 6 
+    ( 0.00975807358913172 -0.00975807357161699 0.0) // Vertex oneoclockcb = 7 
+
+    ( 0.0069 0.0069 0.0553) // Vertex fiveoclocksqt = 8 
+    (-0.0069 0.0069 0.0553) // Vertex sevenoclocksqt = 9 
+    (-0.0069 -0.0069 0.0553) // Vertex elevenoclocksqt = 10 
+    ( 0.0069 -0.0069 0.0553) // Vertex oneoclocksqt = 11 
+   
+    ( 0.00975807358913172 0.00975807357161699 0.0553) // Vertex fiveoclockct = 12 
+    (-0.00975807358913172 0.00975807357161699 0.0553) // Vertex sevenoclockct = 13 
+    (-0.00975807358913172 -0.00975807357161699 0.0553) // Vertex elevenoclockct = 14 
+    ( 0.00975807358913172 -0.00975807357161699 0.0553) // Vertex oneoclockct = 15 
+   );				
+
+   blocks
+   (
+    //square block
+    hex (
+       2 3 0 1   
+       10 11 8 9   
+       )
+    (4 4 12)
+    simpleGrading (1 1 1)
+
+    //slice1
+    hex (
+       1 0 4 5
+       9 8 12 13
+       )
+    (4 2 12)
+    simpleGrading (1 1 1)
+
+    //slice2
+    hex (
+       6 2 1  5 
+       14 10 9   13 
+       )
+   ( 2 4 12)
+simpleGrading (1 1 1)
+
+   //slice3
+   hex (
+         6 7 3 2   
+         14 15 11 10   
+       )
+   (4 2 12)
+simpleGrading (1 1 1)
+
+   //slice4
+   hex (
+         3 7 4 0  
+         11 15 12 8  
+       )
+   (2 4 12)
+simpleGrading (1 1 1)
+
+   );
+
+
+   //create the quarter circles
+   edges
+   (
+    arc 4 5 (0.0 0.0138 0.0 )
+    arc 5 6 (-0.0138 0.0 0.0)
+    arc 6 7 (0.0 -0.0138 0.0 )
+    arc 7 4 (0.0138 0.0 0.0)
+
+    arc 12 13 (0.0 0.0138 0.0553 )
+    arc 13 14 (-0.0138 0.0 0.0553 )
+    arc 14 15 (0.0 -0.0138 0.0553 )
+    arc 15 12 (0.0138 0.0 0.0553 )
+
+   );
+
+   patches
+   (
+    patch inlet
+    (
+     (0 3 2 1)
+     (0 4 7 3)
+     (4 0 1 5)
+     (1 2 6 5)
+     (3 7 6 2)
+    )
+
+    patch outlet
+    (
+     (8 11 10 9)
+     (8 12 15 11)
+     (12 8 9 13)
+     (9 10 14 13)
+     (11 15 14 10)
+    )
+
+    wall wall
+    (
+     (5 4 12 13)
+     (5 13 14 6)
+     (6 14 15 7)
+     (7 15 12 4)
+    )
+
+);
+
+mergePatchPairs
+(
+);

tutorials/cfdemSolverPisoMS/ErgunTestMPI/CFD/constant/transportProperties

@@ -0,0 +1,37 @@
+/*--------------------------------*- C++ -*----------------------------------*\
+| =========                 |                                                 |
+| \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox           |
+|  \\    /   O peration     | Version:  1.6                                   |
+|   \\  /    A nd           | Web:      www.OpenFOAM.org                      |
+|    \\/     M anipulation  |                                                 |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+    version     2.0;
+    format      ascii;
+    class       dictionary;
+    location    "constant";
+    object      transportProperties;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+transportModel  Newtonian;
+
+nu              nu [ 0 2 -1 0 0 0 0 ] 1.5e-05;
+
+CrossPowerLawCoeffs
+{
+    nu0             nu0 [ 0 2 -1 0 0 0 0 ] 1e-06;
+    nuInf           nuInf [ 0 2 -1 0 0 0 0 ] 1e-06;
+    m               m [ 0 0 1 0 0 0 0 ] 1;
+    n               n [ 0 0 0 0 0 0 0 ] 1;
+}
+
+BirdCarreauCoeffs
+{
+    nu0             nu0 [ 0 2 -1 0 0 0 0 ] 1e-06;
+    nuInf           nuInf [ 0 2 -1 0 0 0 0 ] 1e-06;
+    k               k [ 0 0 1 0 0 0 0 ] 0;
+    n               n [ 0 0 0 0 0 0 0 ] 1;
+}
+// ************************************************************************* //

tutorials/cfdemSolverPisoMS/ErgunTestMPI/CFD/constant/turbulenceProperties

@@ -0,0 +1,21 @@
+/*--------------------------------*- C++ -*----------------------------------*\
+| =========                 |                                                 |
+| \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox           |
+|  \\    /   O peration     | Version:  1.6                                   |
+|   \\  /    A nd           | Web:      www.OpenFOAM.org                      |
+|    \\/     M anipulation  |                                                 |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+    version     2.0;
+    format      ascii;
+    class       dictionary;
+    location    "constant";
+    object      turbulenceProperties;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+simulationType  RASModel;
+
+
+// ************************************************************************* //

tutorials/cfdemSolverPisoMS/ErgunTestMPI/CFD/octave/clumpProperties.m

@@ -0,0 +1,29 @@
+clc;
+close all;
+clear;
+
+%==========================================================================
+%m-file to calculate the properties of the imported clump
+%==========================================================================
+
+fprintf('\n sphere10.multisphere:\n')
+
+rhoC=440
+scaling=1e-3
+nP=10
+rP=0.3530494
+VP=nP*(2*rP*scaling)^3*pi/6
+dH=2*scaling
+VC=dH^3*pi/6
+rhoP=rhoC*VC/VP
+
+%   -0.3301476 -3.4959164E-008       0.5563700	0.3530494
+%   0.5421265 -3.2849375E-008       0.3530494	0.3530494
+%   0.0822932       0.5358442       0.3530495	0.3530494
+%   0.0822932      -0.5358442       0.3530494	0.3530494
+%   -0.5126716      -0.3946047 -2.9544078E-009	0.3530494
+%   -0.5126715       0.3946047 -1.7513663E-008	0.3530494
+%   0.0822932       0.5358442      -0.3530494	0.3530494
+%   0.0822932      -0.5358442      -0.3530495	0.3530494
+%   0.5421264 -3.9639417E-008      -0.3530495	0.3530494
+%   -0.3301475 -1.5302462E-008      -0.5563700	0.3530494

tutorials/cfdemSolverPisoMS/ErgunTestMPI/CFD/octave/loaddata.m

@@ -0,0 +1,69 @@
+function [data,colname]=loaddata(filename,columns,headerlines)
+
+% data = loaddata(filename,columns,headerlines)
+% data = loaddata(filename,0,headerlines): automatc detection of 
+%           columns by word count in first headerline or first data line
+%           (if headerline==0), separated by blanks or tabs
+%           columns=-1: write colum assignment code lines
+%              works only if headerline>0 and colnames separated by 
+%              not more than 1 blank!
+%           columns=-2: columns separated by 2 blanks (fluent/scheme auswertung-instat.scm)
+% [data, colname] = loaddata(filename,0,headerlines) 
+%           colname = cell string array of column names from headerline
+
+fprintf(1,'loading %s ...  ', filename);
+f=fopen(filename,'r');
+if f==-1
+  fprintf(1,'\n*** error: could not open "%s" ...\n', filename);
+  data=[];
+else
+  for i=1:headerlines
+    if i==1 s=fgets(f); else fgets(f); end
+  end
+  if headerlines==0
+    s=fgets(f); frewind(f);
+  end
+  if columns<=0 % & headerlines>=1
+    fprintf(1,'\n');
+    fprintf(1,'  %s',s);
+    pos = findstr(sprintf('\t'),s); % trennzeichenpositionen in zeile suchen
+    if length(pos)>0
+      endpos=length(s);
+      %if isspace(s(endpos-1)) endpos=endpos-1; end
+      pos = [0 pos(1,:) endpos]; % anfangs- und endposition hinzuf<EFBFBD>gen
+    elseif columns==-2 % spalteneintr<EFBFBD>ge durch 2 blanks getrennt (fluent/scheme)
+      pos=[0];
+      for i=1:length(s)-1
+        if isspace(s(i)) & isspace(s(i+1))
+          pos(end+1)=i+1;
+        end
+      end
+      pos(end+1)=length(s);      
+    else % spalteneintr<EFBFBD>ge durch blanks getrennt     
+      %pos = findstr(' ',s); % trennzeichenpositionen in zeile suchen
+      pos=[];
+      word=0;
+      for i=1:length(s)
+        if isspace(s(i))
+          word=0;
+        elseif ~word
+          word=1;
+          pos(end+1)=i-1;
+        end
+      end
+      pos(end+1)=length(s);
+    end
+    if headerlines>=1
+      for i=1:length(pos)-1 % alle spalten
+        colname{i}=s(pos(i)+1:pos(i+1)-1);
+        if columns==-1 fprintf(' = data(strmatch(''%s'',colname),:); %% column %d\n', colname{i},i); end
+        if columns==-2 fprintf('%% column %d: %s\n', i, colname{i}); end
+      end   
+    end
+    columns = length(pos)-1;
+    fprintf(1,'  total: %d columns ',columns);
+  end
+  data=fscanf(f,'%f',[columns,inf]);
+  fclose(f);
+  fprintf(1,'done.\n');
+end

tutorials/cfdemSolverPisoMS/ErgunTestMPI/CFD/octave/totalPressureDrop.m

@@ -0,0 +1,104 @@
+close all;
+clear;
+clc;
+
+%====================================%
+% simulation data 1
+%====================================%
+%path = '../probes/0/p';
+path = '../probes/0/p';
+columns=22;
+headerlines=4;
+data = loaddata(path,columns,headerlines);
+data=transpose(data);
+[x,y]=size(data)
+dp_sim = (data(:,2)-data(:,y))/10000;
+t_sim = data(:,1);
+%fprintf('final pressureDrop of sim = %f Pa\n',dp_sim(length(dp_sim)) )
+
+%====================================%
+% analytical calculation
+%====================================%
+
+%===================
+% Ergun Equation
+%===================
+fprintf('\ncalc Ergun eqn:\n')
+
+% calc density of clump
+% Note: for drag calc the clump diameter is used-> reduced density of clump
+dp = 0.002			% clump diameter
+ds_=0.001*0.3530494*2 		% diameter of sphere
+ns_=10;              		% nr of spheres per clump
+rhos_=1000;          		% density of spheres
+VclumpToVbody=ns_*(ds_/dp)^3 	% ratio of the tot volume of the spheres to the volume of the body with d_
+rhoP = VclumpToVbody*rhos_ 	% density of clump
+
+nP_=2500;			% nr of clumps
+phip = 1			% sphericity
+Ustart = 0.
+Uend = 2
+timeStepSize = 0.001;            % time interval of pressure data
+Tstart = 0;
+Tend = t_sim(length(t_sim));
+deltaU=(Uend-Ustart)/((Tend-Tstart)/timeStepSize);
+U = Ustart+deltaU:deltaU:Uend;  % velocity over time
+L = 0.0212;			% length of bed filled with particles
+D = 0.0276;			% diameter of bed
+
+% calc epsilon from bedheight
+%Vpartiles=dp^3*pi/6*nP_;	    % tot clump vol
+Vpartiles=ds_^3*pi/6*nP_*ns_;	% tot particle vol
+Vfilled=D^2*pi/4*L;		%volume filled with particles
+epsilon = 1-Vpartiles/Vfilled   % void fraction
+
+%epsilon = 0.656968
+
+Ua = U / epsilon;		% physical velocity
+rhoG = 5			% density in kg/m3
+nuG = 1.5*10^-5			% kinemat Visk in m2/s
+muG = nuG*rhoG			% dynam visc in Pa s
+
+dpErgun= L * (
+                150*((1-epsilon)^2/epsilon^3)*((muG.*U)/(phip*dp)^2) 
+              +1.75*((1-epsilon)/epsilon^3)*((rhoG.*U.^2)/(phip*dp))
+        )/10000/rhoG;
+
+fprintf('NOTE: this pressure is divided by density (according to CFD solver)\n')
+fprintf('so the result does not depend on pressure\n')
+
+%fprintf('final pressure drop (Ergun eqn)= %f Pa\n',dpErgun)
+
+%==================================
+% min fluidization velocity in m/s
+%==================================
+%rhoP = 2000                      % particle density in kg/m3
+g = 9.81                        % gravity m/s2
+Umf = dp^2*(rhoP-rhoG)*g/(150*muG)*(epsilon^3*phip^2)/(1-epsilon)
+ReMF = Umf*dp*rhoG/muG 			% must be <20 !!!
+%Umf = sqrt(phip*dp^2/1.75*(rhoP-rhoG)/rhoG*g*epsilon^3) % Re>1000
+
+dpUmf= L * (
+                150*((1-epsilon)^2/epsilon^3)*((muG.*Umf)/(phip*dp)^2) 
+              +1.75*((1-epsilon)/epsilon^3)*((rhoG.*Umf.^2)/(phip*dp))
+        )/10000/rhoG;
+
+%====================================%
+% plot data
+%====================================%
+
+fig=figure(1)
+plot(U,dpErgun,U,dp_sim,[Umf,Uend],dpUmf*ones(1,2))
+title("Ergun pressure drop vs. simulation")
+a=strcat("analytical (Ergun), Umf=",num2str(Umf),", dpUmf=",num2str(dpUmf));
+legend(a,"simulation")
+xlabel("velocity in [m/s]")
+ylabel("pressure drop [bar]")
+axis([0,Uend,0,dpErgun(length(dpErgun))])
+
+%print('cfdemSolverPiso_settlingTest.eps','-deps2')
+print -color "cfdemSolverPisoMS_ErgunTestMPI.eps"
+replot;
+SimName="ErgunTestMPI_sphereOfSpheres"
+print(fig,strcat("figure_",SimName,".png"));
+

tutorials/cfdemSolverPisoMS/ErgunTestMPI/CFD/steps_0p1s

@@ -0,0 +1,28 @@
+(
+ (0.000 (0 0 0.002))
+ (0.099 (0 0 0.30))
+ (0.100 (0 0 0.30))
+)
+
+/*(
+ (0.000 (0 0 0.002))
+ (0.010 (0 0 0.002))
+ (0.011 (0 0 0.004))
+ (0.020 (0 0 0.004))
+ (0.021 (0 0 0.006))
+ (0.030 (0 0 0.006))
+ (0.031 (0 0 0.008))
+ (0.040 (0 0 0.008))
+ (0.041 (0 0 0.010))
+ (0.050 (0 0 0.010))
+ (0.051 (0 0 0.012))
+ (0.060 (0 0 0.012))
+ (0.061 (0 0 0.014))
+ (0.070 (0 0 0.014))
+ (0.071 (0 0 0.016))
+ (0.080 (0 0 0.016))
+ (0.081 (0 0 0.018))
+ (0.090 (0 0 0.018))
+ (0.091 (0 0 0.020))
+ (0.100 (0 0 0.020))
+)*/

tutorials/cfdemSolverPisoMS/ErgunTestMPI/CFD/system/controlDict

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

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

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

tutorials/cfdemSolverPisoMS/ErgunTestMPI/CFD/system/decomposeParDict

@@ -0,0 +1,86 @@
+/*-------------------------------*- C++ -*---------------------------------*\
+|    =========                                                              |
+|    \\      /     OpenFOAM                                                 |
+|     \\    /                                                               |
+|      \\  /       The Open Source CFD Toolbox                              |
+|       \\/                                        http://www.OpenFOAM.org  |
+\*-------------------------------------------------------------------------*/
+FoamFile
+{
+    version     2.0;
+    format      ascii;
+    class       dictionary;
+    note        "mesh decomposition control dictionary";
+    location    "system";
+    object      decomposeParDict;
+}
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+numberOfSubdomains  2;
+
+//- Keep owner and neighbour on same processor for faces in zones:
+// preserveFaceZones (heater solid1 solid3);
+
+//method          scotch;
+// method          hierarchical;
+ method          simple;
+// method          metis;
+// method          manual;
+
+simpleCoeffs
+{
+    n           (1 1 2);
+    delta       0.001;
+}
+
+hierarchicalCoeffs
+{
+    n           (2 2 1);
+    delta       0.001;
+    order       xyz;
+}
+
+metisCoeffs
+{
+ /*
+    processorWeights
+    (
+        1
+        1
+        1
+        1
+    );
+  */
+}
+
+scotchCoeffs
+{
+    //processorWeights
+    //(
+    //    1
+    //    1
+    //    1
+    //    1
+    //);
+    //writeGraph  true;
+    //strategy "b";
+}
+
+manualCoeffs
+{
+    dataFile    "decompositionData";
+}
+
+
+//// Is the case distributed
+//distributed     yes;
+//// Per slave (so nProcs-1 entries) the directory above the case.
+//roots           
+//(
+//    "/tmp"
+//    "/tmp"
+//);
+
+
+// ************************************************************************* //

tutorials/cfdemSolverPisoMS/ErgunTestMPI/CFD/system/funkySetFieldsDict

@@ -0,0 +1,33 @@
+FoamFile
+{
+    version         2.0;
+    format          ascii;
+
+    root            "/.automount/werner/Werner/bgschaid/bgschaid-foamStuff/DepositionTests";
+    case            "neutralTest";
+    instance        "system";
+    local           "";
+
+    class           dictionary;
+    object          funkySetFieldsDict;
+}
+
+expressions
+(
+	init
+	{
+		field voidfraction;
+		expression "1";
+                valuePatches 2(inlet outlet); // set value 1 at those patches
+	}
+	setGamma
+	{
+		field voidfraction;
+		expression "0.43";
+		//condition "pow(pow(pos().x-0.2,2) + pow(pos().y-0,2)+ pow(pos().z-0,2),0.5) < 0.04";
+                condition "pos().z < 0.01467 && pos().z > 0.0";
+                keepPatches true;
+                //valuePatches 1(inlet); // set value 1 at those patches
+	}
+	
+);

tutorials/cfdemSolverPisoMS/ErgunTestMPI/CFD/system/fvSchemes

@@ -0,0 +1,76 @@
+/*--------------------------------*- C++ -*----------------------------------*\
+| =========                 |                                                 |
+| \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox           |
+|  \\    /   O peration     | Version:  1.6                                   |
+|   \\  /    A nd           | Web:      www.OpenFOAM.org                      |
+|    \\/     M anipulation  |                                                 |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+    version     2.0;
+    format      ascii;
+    class       dictionary;
+    location    "system";
+    object      fvSchemes;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+ddtSchemes
+{
+    default         Euler;
+}
+
+gradSchemes
+{
+    default         Gauss linear;
+    grad(p)         Gauss linear;
+    grad(U)         Gauss linear;
+}
+
+divSchemes
+{
+    default         Gauss linear;
+    div(phi,U)      Gauss limitedLinearV 1;
+    div(phi,k)      Gauss limitedLinear 1;
+    div(phi,epsilon) Gauss limitedLinear 1;
+    div(phi,R)      Gauss limitedLinear 1;
+    div(R)          Gauss linear;
+    div(phi,nuTilda) Gauss limitedLinear 1;
+    div((viscousTerm*dev(grad(U).T()))) Gauss linear;
+    div((nu*dev(grad(U).T()))) Gauss linear;
+    div((nuEff*dev(grad(U).T()))) Gauss linear;
+}
+
+laplacianSchemes
+{
+    default         Gauss linear corrected;
+    laplacian(viscousTerm,U) Gauss linear corrected;
+    laplacian(nu,U) Gauss linear corrected;
+    laplacian(nuEff,U) Gauss linear corrected;
+    laplacian((1|A(U)),p) Gauss linear corrected;
+    laplacian((voidfraction2|A(U)),p) Gauss linear corrected;
+    laplacian(DkEff,k) Gauss linear corrected;
+    laplacian(DepsilonEff,epsilon) Gauss linear corrected;
+    laplacian(DREff,R) Gauss linear corrected;
+    laplacian(DnuTildaEff,nuTilda) Gauss linear corrected;
+}
+
+interpolationSchemes
+{
+    default         linear;
+    interpolate(U)  linear;
+}
+
+snGradSchemes
+{
+    default         corrected;
+}
+
+fluxRequired
+{
+    default         no;
+    p               ;
+}
+
+
+// ************************************************************************* //

tutorials/cfdemSolverPisoMS/ErgunTestMPI/CFD/system/fvSolution

@@ -0,0 +1,86 @@
+/*--------------------------------*- C++ -*----------------------------------*\
+| =========                 |                                                 |
+| \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox           |
+|  \\    /   O peration     | Version:  1.6                                   |
+|   \\  /    A nd           | Web:      www.OpenFOAM.org                      |
+|    \\/     M anipulation  |                                                 |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+    version     2.0;
+    format      ascii;
+    class       dictionary;
+    location    "system";
+    object      fvSolution;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+solvers
+{
+    p
+    {
+        solver          PCG;
+        preconditioner  DIC;
+        tolerance       1e-06;
+        relTol          0.1;
+    }
+
+    pFinal
+    {
+        solver          PCG;
+        preconditioner  DIC;
+        tolerance       1e-06;
+        relTol          0;
+    }
+
+    U
+    {
+        solver          PBiCG;
+        preconditioner  DILU;
+        tolerance       1e-05;
+        relTol          0;
+    }
+
+    k
+    {
+        solver          PBiCG;
+        preconditioner  DILU;
+        tolerance       1e-05;
+        relTol          0;
+    }
+
+    epsilon
+    {
+        solver          PBiCG;
+        preconditioner  DILU;
+        tolerance       1e-05;
+        relTol          0;
+    }
+
+    R
+    {
+        solver          PBiCG;
+        preconditioner  DILU;
+        tolerance       1e-05;
+        relTol          0;
+    }
+
+    nuTilda
+    {
+        solver          PBiCG;
+        preconditioner  DILU;
+        tolerance       1e-05;
+        relTol          0;
+    }
+}
+
+PISO
+{
+    nCorrectors     4;
+    nNonOrthogonalCorrectors 1;
+    pRefCell        0;
+    pRefValue       0;
+}
+
+
+// ************************************************************************* //

tutorials/cfdemSolverPisoMS/ErgunTestMPI/DEM/in.liggghts_init

@@ -0,0 +1,74 @@
+echo            both
+
+# Pour granular particles into chute container
+
+atom_style	hybrid granular molecular
+atom_modify	map array sort 0 0
+communicate	single vel yes
+
+boundary	m m m
+newton		off
+
+units		si
+
+region		reg block -0.015 0.015 -0.015 0.015 -0.001 0.0554 units box
+create_box	1 reg
+
+neighbor	0.001 bin
+neigh_modify	delay 0
+
+mass		1 1.0
+
+#Material properties required for new pair styles
+
+fix 		m1 all property/global youngsModulus peratomtype 5.e6
+fix 		m2 all property/global poissonsRatio peratomtype 0.45
+fix 		m3 all property/global coefficientRestitution peratomtypepair 1 0.3
+fix 		m4 all property/global coefficientFriction peratomtypepair 1 0.5
+
+#pair style
+pair_style 	gran/hertz/history 1 0  #Hertzian without cohesion
+pair_coeff	* *
+
+#timestep, gravity
+timestep	0.00001
+fix		gravi all gravity 9.81 vector 0.0 0.0 -1.0
+
+#walls
+fix		zwalls all wall/gran/hertz/history 1 0 zplane 0.0 0.0553 1
+fix		cylwalls all wall/gran/hertz/history 1 0 zcylinder 0.01385 1
+
+
+#============================
+#distributions for insertion
+fix pts1 all particletemplate/multisphere 1 atom_type 1 density constant 1000 nspheres 10 ntry 1000000 spheres file ../DEM/sphere10.multisphere scale 0.001 type 1
+fix		pdd1 all particledistribution/discrete 1.  1 pts1 1.0
+
+#region and insertion
+group		rigid_group region reg
+region		bc cylinder z 0.0 0.0 0.012 0.001 0.05 units box
+
+fix		ins rigid_group insert/pack seed 100001 distributiontemplate pdd1 vel constant 0. 0. 0. insert_every once overlapcheck yes region bc ntry_mc 10000 particles_in_region 2500  # volumefraction_region 0.01 #
+
+#integrator for multisphere rigid bodies
+fix		integr rigid_group rigid/multisphere
+#============================
+
+#cfd coupling
+fix		cfd all couple/cfd couple_every 100000 mpi
+fix		cfd2 all couple/cfd/force/multisphere
+
+
+#screen output
+compute		1 all erotate/sphere
+thermo_style	custom step atoms ke c_1 vol
+thermo		1000
+thermo_modify	lost ignore norm no
+compute_modify	thermo_temp dynamic yes
+
+#insert the first particles so that dump is not empty
+run		1
+dump		dmp all custom 5000 ../DEM/post/dump.liggghts_init id type type x y z ix iy iz vx vy vz fx fy fz omegax omegay omegaz radius 
+
+run		80000 upto
+#write_restart 	liggghts.restart

tutorials/cfdemSolverPisoMS/ErgunTestMPI/DEM/post/dummy

@@ -0,0 +1,4 @@
+dummyfile
+dummyfile
+dummyfile
+dummyfile

tutorials/cfdemSolverPisoMS/ErgunTestMPI/DEM/sphere10.multisphere

@@ -0,0 +1,10 @@
+-0.3301476 -3.4959164E-008       0.5563700	0.3530494
+0.5421265 -3.2849375E-008       0.3530494	0.3530494
+0.0822932       0.5358442       0.3530495	0.3530494
+0.0822932      -0.5358442       0.3530494	0.3530494
+-0.5126716      -0.3946047 -2.9544078E-009	0.3530494
+-0.5126715       0.3946047 -1.7513663E-008	0.3530494
+0.0822932       0.5358442      -0.3530494	0.3530494
+0.0822932      -0.5358442      -0.3530495	0.3530494
+0.5421264 -3.9639417E-008      -0.3530495	0.3530494
+-0.3301475 -1.5302462E-008      -0.5563700	0.3530494

tutorials/cfdemSolverPisoMS/ErgunTestMPI/parCFDDEMrun.sh

@@ -0,0 +1,68 @@
+#!/bin/bash
+
+#===================================================================#
+# allrun script for testcase as part of test routine 
+# run settlingTest CFD part
+# Christoph Goniva - Feb. 2011
+#===================================================================#
+
+#- source CFDEM env vars
+. ~/.bashrc
+
+#- include functions
+source $CFDEM_SRC_DIR/etc/functions.sh
+
+#--------------------------------------------------------------------------------#
+#- define variables
+casePath="$(dirname "$(readlink -f ${BASH_SOURCE[0]})")"
+logpath=$casePath
+headerText="run_parallel_cfdemSolverPisoMS_ErgunTestMPI_CFDDEM"
+logfileName="log_$headerText"
+solverName="cfdemSolverPisoMS"
+nrProcs="2"
+machineFileName="none"   # yourMachinefileName | none
+debugMode="off"          # on | off
+testHarnessPath="$CFDEM_TEST_HARNESS_PATH"
+
+cleanUp="true"
+#--------------------------------------------------------------------------------#
+
+#- call function to run a parallel CFD-DEM case
+parCFDDEMrun $logpath $logfileName $casePath $headerText $solverName $nrProcs $machineFileName $debugMode
+
+#------------------------------#
+#  octave
+
+#- change path
+cd octave
+
+#- rmove old graph
+rm cfdemSolverPisoMS_ErgunTestMPI.eps
+
+#- run octave
+octave totalPressureDrop.m
+
+#- show plot 
+evince cfdemSolverPisoMS_ErgunTestMPI.eps
+#------------------------------#
+
+#- copy log file to test harness
+cp ../../$logfileName $testHarnessPath
+cp cfdemSolverPisoMS_ErgunTestMPI.eps $testHarnessPath
+
+if [ $cleanUp == "true" ]
+  then
+    #- clean up case
+    cd ..
+    rm -rf 0.*
+    rm -rf processor*
+    rm -rf particles
+    rm -rf patchAverage_pressureDrop
+    rm -rf probes
+    rm log.liggghts
+    rm ../DEM/post/dump.*
+fi
+
+
+#- preserve post directory
+echo "dummyfile" >> $casePath/DEM/post/dummy

tutorials/cfdemSolverPisoScalar/packedBedTemp/parCFDDEMrun.sh

@@ -21,7 +21,7 @@ logfileName="log_$headerText"
 solverName="cfdemSolverPisoScalar"
 nrProcs="2"
 machineFileName="none"   # yourMachinefileName | none
-debugMode="off"          # on | off
+debugMode="off"          # on | off | prof
 testHarnessPath="$CFDEM_TEST_HARNESS_PATH"
 runOctave="true"
 postproc="false"
@@ -85,6 +85,8 @@ fi
 #- clean up case
 echo "deleting data at: $casePath : ???\n"
 rm -r $casePath/CFD/0.*
+rm -r $casePath/CFD/callgrind.*
+rm -r $casePath/CFD/*.out
 rm -r $casePath/CFD/octave/*.eps
 rm -r $casePath/CFD/octave/octave-core
 rm -r $casePath/CFD/VTK