diff --git a/applications/solvers/molecularDynamics/gnemdFoam/Make/options b/applications/solvers/molecularDynamics/gnemdFoam/Make/options
index 80f9773456..89431d0625 100755
--- a/applications/solvers/molecularDynamics/gnemdFoam/Make/options
+++ b/applications/solvers/molecularDynamics/gnemdFoam/Make/options
@@ -1,5 +1,6 @@
 EXE_INC = \
-    -I$(LIB_SRC)/lagrangian/molecule/lnInclude \
+    -I$(LIB_SRC)/lagrangian/molecularDynamics/molecule/lnInclude \
+    -I$(LIB_SRC)/lagrangian/molecularDynamics/potential/lnInclude \
     -I$(LIB_SRC)/finiteVolume/lnInclude \
     -I$(LIB_SRC)/lagrangian/basic/lnInclude \
     -I$(LIB_SRC)/meshTools/lnInclude
@@ -8,4 +9,5 @@ EXE_LIBS = \
     -lmeshTools \
     -lfiniteVolume \
     -llagrangian \
-    -lmolecule
+    -lmolecule \
+    -lpotential
diff --git a/applications/solvers/molecularDynamics/gnemdFoam/gnemdFoam.C b/applications/solvers/molecularDynamics/gnemdFoam/gnemdFoam.C
old mode 100755
new mode 100644
diff --git a/applications/solvers/molecularDynamics/mdEquilibrationFoam/Make/options b/applications/solvers/molecularDynamics/mdEquilibrationFoam/Make/options
index 80f9773456..89431d0625 100755
--- a/applications/solvers/molecularDynamics/mdEquilibrationFoam/Make/options
+++ b/applications/solvers/molecularDynamics/mdEquilibrationFoam/Make/options
@@ -1,5 +1,6 @@
 EXE_INC = \
-    -I$(LIB_SRC)/lagrangian/molecule/lnInclude \
+    -I$(LIB_SRC)/lagrangian/molecularDynamics/molecule/lnInclude \
+    -I$(LIB_SRC)/lagrangian/molecularDynamics/potential/lnInclude \
     -I$(LIB_SRC)/finiteVolume/lnInclude \
     -I$(LIB_SRC)/lagrangian/basic/lnInclude \
     -I$(LIB_SRC)/meshTools/lnInclude
@@ -8,4 +9,5 @@ EXE_LIBS = \
     -lmeshTools \
     -lfiniteVolume \
     -llagrangian \
-    -lmolecule
+    -lmolecule \
+    -lpotential
diff --git a/applications/solvers/molecularDynamics/mdEquilibrationFoam/mdEquilibrationFoam.C b/applications/solvers/molecularDynamics/mdEquilibrationFoam/mdEquilibrationFoam.C
old mode 100755
new mode 100644
diff --git a/applications/solvers/molecularDynamics/mdEquilibrationFoam/readmdEquilibrationDict.H b/applications/solvers/molecularDynamics/mdEquilibrationFoam/readmdEquilibrationDict.H
old mode 100755
new mode 100644
diff --git a/applications/utilities/mesh/manipulation/setSet/.setSet b/applications/utilities/mesh/manipulation/setSet/.setSet
deleted file mode 100644
index ff604669be..0000000000
--- a/applications/utilities/mesh/manipulation/setSet/.setSet
+++ /dev/null
@@ -1 +0,0 @@
-quit
diff --git a/applications/utilities/mesh/manipulation/setSet/setSet.C b/applications/utilities/mesh/manipulation/setSet/setSet.C
index c4e6b21162..4790e0ffc2 100644
--- a/applications/utilities/mesh/manipulation/setSet/setSet.C
+++ b/applications/utilities/mesh/manipulation/setSet/setSet.C
@@ -405,64 +405,71 @@ bool doCommand
                 backup(mesh, setName, currentSet, setName + "_old");
             }
 
-            if (action == topoSetSource::CLEAR)
+            switch (action)
             {
-                // Already handled above by not reading
-            }
-            else if (action == topoSetSource::INVERT)
-            {
-                currentSet.invert(currentSet.maxSize(mesh));
-            }
-            else if (action == topoSetSource::LIST)
-            {
-                currentSet.writeDebug(Pout, mesh, 100);
-                Pout<< endl;
-            }
-            else if (action == topoSetSource::SUBSET)
-            {
-                if (is >> sourceType)
+                case topoSetSource::CLEAR:
                 {
-                    autoPtr<topoSetSource> setSource
-                    (
-                        topoSetSource::New
-                        (
-                            sourceType,
-                            mesh,
-                            is
-                        )
-                    );
-
-                    // Backup current set.
-                    topoSet oldSet
-                    (
-                        mesh,
-                        currentSet.name() + "_old2",
-                        currentSet
-                    );
-
-                    currentSet.clear();
-                    currentSet.resize(oldSet.size());
-                    setSource().applyToSet(topoSetSource::NEW, currentSet);
-
-                    // Combine new value of currentSet with old one.
-                    currentSet.subset(oldSet);
+                    // Already handled above by not reading
+                    break;
                 }
-            }
-            else
-            {
-                if (is >> sourceType)
+                case topoSetSource::INVERT:
                 {
-                    autoPtr<topoSetSource> setSource
-                    (
-                        topoSetSource::New
+                    currentSet.invert(currentSet.maxSize(mesh));
+                    break;
+                }
+                case topoSetSource::LIST:
+                {
+                    currentSet.writeDebug(Pout, mesh, 100);
+                    Pout<< endl;
+                    break;
+                }
+                case topoSetSource::SUBSET:
+                {
+                    if (is >> sourceType)
+                    {
+                        autoPtr<topoSetSource> setSource
                         (
-                            sourceType,
-                            mesh,
-                            is
-                        )
-                    );
+                            topoSetSource::New
+                            (
+                                sourceType,
+                                mesh,
+                                is
+                            )
+                        );
 
-                    setSource().applyToSet(action, currentSet);
+                        // Backup current set.
+                        topoSet oldSet
+                        (
+                            mesh,
+                            currentSet.name() + "_old2",
+                            currentSet
+                        );
+
+                        currentSet.clear();
+                        currentSet.resize(oldSet.size());
+                        setSource().applyToSet(topoSetSource::NEW, currentSet);
+
+                        // Combine new value of currentSet with old one.
+                        currentSet.subset(oldSet);
+                    }
+                    break;
+                }
+                default:
+                {
+                    if (is >> sourceType)
+                    {
+                        autoPtr<topoSetSource> setSource
+                        (
+                            topoSetSource::New
+                            (
+                                sourceType,
+                                mesh,
+                                is
+                            )
+                        );
+
+                        setSource().applyToSet(action, currentSet);
+                    }
                 }
             }
 
@@ -532,7 +539,7 @@ bool doCommand
         }
     }
 
-    return error;
+    return !error;
 }
 
 
@@ -612,31 +619,36 @@ commandStatus parseType
         switch(stat)
         {
             case polyMesh::UNCHANGED:
+            {
                 Pout<< "    mesh not changed." << endl;
-            break;
-
+                break;
+            }
             case polyMesh::POINTS_MOVED:
+            {
                 Pout<< "    points moved; topology unchanged." << endl;
-            break;
-
+                break;
+            }
             case polyMesh::TOPO_CHANGE:
+            {
                 Pout<< "    topology changed; patches unchanged." << nl
                     << "    ";
                 printMesh(runTime, mesh);
-
-            break;
-
+                break;
+            }
             case polyMesh::TOPO_PATCH_CHANGE:
+            {
                 Pout<< "    topology changed and patches changed." << nl
                     << "    ";
                 printMesh(runTime, mesh);
 
-            break;
-
+                break;
+            }
             default:
+            {
                 FatalErrorIn("parseType") << "Illegal mesh update state "
                     << stat  << abort(FatalError);
-            break;
+                break;
+            }
         }
 
         return INVALID;
diff --git a/applications/utilities/miscellaneous/patchSummary/Make/files b/applications/utilities/miscellaneous/patchSummary/Make/files
new file mode 100644
index 0000000000..62485dc33d
--- /dev/null
+++ b/applications/utilities/miscellaneous/patchSummary/Make/files
@@ -0,0 +1,3 @@
+patchSummary.C
+
+EXE = $(FOAM_USER_APPBIN)/patchSummary
diff --git a/applications/utilities/miscellaneous/patchSummary/Make/options b/applications/utilities/miscellaneous/patchSummary/Make/options
new file mode 100644
index 0000000000..fa15f12452
--- /dev/null
+++ b/applications/utilities/miscellaneous/patchSummary/Make/options
@@ -0,0 +1,5 @@
+EXE_INC = \
+    -I$(LIB_SRC)/finiteVolume/lnInclude
+
+EXE_LIBS = \
+    -lfiniteVolume
diff --git a/applications/utilities/miscellaneous/patchSummary/patchSummary.C b/applications/utilities/miscellaneous/patchSummary/patchSummary.C
new file mode 100644
index 0000000000..a2f8c986ba
--- /dev/null
+++ b/applications/utilities/miscellaneous/patchSummary/patchSummary.C
@@ -0,0 +1,117 @@
+/*---------------------------------------------------------------------------*\
+  =========                 |
+  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
+   \\    /   O peration     |
+    \\  /    A nd           | Copyright (C) 1991-2007 OpenCFD Ltd.
+     \\/     M anipulation  |
+-------------------------------------------------------------------------------
+License
+    This file is part of OpenFOAM.
+
+    OpenFOAM is free software; you can redistribute it and/or modify it
+    under the terms of the GNU General Public License as published by the
+    Free Software Foundation; either version 2 of the License, or (at your
+    option) any later version.
+
+    OpenFOAM is distributed in the hope that it will be useful, but WITHOUT
+    ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+    FITNESS FOR A PARTICULAR PURPOSE.  See the GNU General Public License
+    for more details.
+
+    You should have received a copy of the GNU General Public License
+    along with OpenFOAM; if not, write to the Free Software Foundation,
+    Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
+
+Application
+    patchSummary
+
+Description
+    Writes fields and boundary condition info for each patch at each requested
+    time instance.
+
+\*---------------------------------------------------------------------------*/
+
+#include "fvCFD.H"
+#include "volFields.H"
+#include "IOobjectList.H"
+#include "patchSummaryTemplates.H"
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+int main(int argc, char *argv[])
+{
+
+#   include "addTimeOptions.H"
+#   include "setRootCase.H"
+#   include "createTime.H"
+
+    // Get times list
+    instantList Times = runTime.times();
+
+    // set startTime and endTime depending on -time and -latestTime options
+#   include "checkTimeOptions.H"
+
+    runTime.setTime(Times[startTime], startTime);
+
+#   include "createMesh.H"
+
+    for (label i=startTime; i<endTime; i++)
+    {
+        runTime.setTime(Times[i], i);
+
+        Info<< "Time = " << runTime.timeName() << nl << endl;
+
+        const IOobjectList fieldObjs(mesh, runTime.timeName());
+
+        const wordList objNames = fieldObjs.names();
+
+        PtrList<volScalarField> vsf(objNames.size());
+        PtrList<volVectorField> vvf(objNames.size());
+        PtrList<volSphericalTensorField> vsptf(objNames.size());
+        PtrList<volSymmTensorField> vsytf(objNames.size());
+        PtrList<volTensorField> vtf(objNames.size());
+
+        Info<< "Valid fields:" << endl;
+
+        forAll(objNames, objI)
+        {
+            IOobject obj
+            (
+                objNames[objI],
+                runTime.timeName(),
+                mesh,
+                IOobject::MUST_READ
+            );
+
+            if (obj.headerOk())
+            {
+                addToFieldList<scalar>(vsf, obj, objI, mesh);
+                addToFieldList<vector>(vvf, obj, objI, mesh);
+                addToFieldList<sphericalTensor>(vsptf, obj, objI, mesh);
+                addToFieldList<symmTensor>(vsytf, obj, objI, mesh);
+                addToFieldList<tensor>(vtf, obj, objI, mesh);
+            }
+        }
+
+        Info<< endl;
+
+        const polyBoundaryMesh& bm = mesh.boundaryMesh();
+        forAll(bm, patchI)
+        {
+            Info<< "Patch: " << bm[patchI].name() << nl;
+            outputFieldList<scalar>(vsf, patchI);
+            outputFieldList<vector>(vvf, patchI);
+            outputFieldList<sphericalTensor>(vsptf, patchI);
+            outputFieldList<symmTensor>(vsytf, patchI);
+            outputFieldList<tensor>(vtf, patchI);
+            Info << endl;
+        }
+    }
+
+    Info << "End\n" << endl;
+
+    return 0;
+}
+
+
+// ************************************************************************* //
diff --git a/src/lagrangian/molecule/potentials/pairPotential/basic/pairPotentialI.H b/applications/utilities/miscellaneous/patchSummary/patchSummaryTemplates.C
old mode 100755
new mode 100644
similarity index 53%
rename from src/lagrangian/molecule/potentials/pairPotential/basic/pairPotentialI.H
rename to applications/utilities/miscellaneous/patchSummary/patchSummaryTemplates.C
index 3a3efa223a..57123fd117
--- a/src/lagrangian/molecule/potentials/pairPotential/basic/pairPotentialI.H
+++ b/applications/utilities/miscellaneous/patchSummary/patchSummaryTemplates.C
@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 1991-2005 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 1991-2007 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
@@ -22,80 +22,53 @@ License
     along with OpenFOAM; if not, write to the Free Software Foundation,
     Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
 
+
 \*---------------------------------------------------------------------------*/
 
-inline Foam::scalar Foam::pairPotential::m() const
-{
-    return m_;
-}
+#include "patchSummaryTemplates.H"
+#include "IOmanip.H"
 
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
-inline Foam::scalar Foam::pairPotential::gamma() const
-{
-    return gamma_;
-}
-
-
-inline Foam::scalar Foam::pairPotential::rm() const
-{
-    return rm_;
-}
-
-
-inline Foam::scalar Foam::pairPotential::epsilon() const
-{
-    return epsilon_;
-}
-
-
-inline Foam::scalar Foam::pairPotential::rCut() const
-{
-    return rCut_;
-}
-
-
-inline Foam::scalar Foam::pairPotential::rCutSqr() const
-{
-    return rCutSqr_;
-}
-
-
-inline Foam::scalar Foam::pairPotential::rMin() const
-{
-    return rMin_;
-}
-
-
-inline Foam::scalar Foam::pairPotential::dr() const
-{
-    return dr_;
-}
-
-
-// * * * * * * * * * * * * * * * Friend Operators  * * * * * * * * * * * * * //
-
-inline bool Foam::operator==
+template<class Type>
+void Foam::addToFieldList
 (
-    const pairPotential& a,
-    const pairPotential& b
+    PtrList<GeometricField<Type, fvPatchField, volMesh> >& fieldList,
+    const IOobject& obj,
+    const label fieldI,
+    const fvMesh& mesh
 )
 {
-    return
-        (a.m() == b.m())
-     && (a.gamma() == b.gamma())
-     && (a.rm() == b.rm())
-     && (a.epsilon() == b.epsilon())
-     && (a.rCut() == b.rCut());
+    typedef GeometricField<Type, fvPatchField, volMesh> fieldType;
+
+    if (obj.headerClassName() == fieldType::typeName)
+    {
+        fieldList.set
+        (
+            fieldI,
+            new fieldType(obj, mesh)
+        );
+        Info<< "    " << fieldType::typeName << tab << obj.name() << endl;
+    }
 }
 
 
-inline bool Foam::operator!=
+template<class Type>
+void Foam::outputFieldList
 (
-    const pairPotential& a,
-    const pairPotential& b
+    PtrList<GeometricField<Type, fvPatchField, volMesh> >& fieldList,
+    const label patchI
 )
 {
-    return !(a == b);
+    forAll(fieldList, fieldI)
+    {
+        if (fieldList.set(fieldI))
+        {
+            Info<< "    " << pTraits<Type>::typeName << tab << tab
+                << fieldList[fieldI].name() << tab << tab
+                << fieldList[fieldI].boundaryField()[patchI].type() << nl;
+        }
+    }
 }
 
 
diff --git a/src/lagrangian/molecule/potentials/tetherPotential/tetherPotentialI.H b/applications/utilities/miscellaneous/patchSummary/patchSummaryTemplates.H
old mode 100755
new mode 100644
similarity index 67%
rename from src/lagrangian/molecule/potentials/tetherPotential/tetherPotentialI.H
rename to applications/utilities/miscellaneous/patchSummary/patchSummaryTemplates.H
index d9ca0dae1a..e29db21fc3
--- a/src/lagrangian/molecule/potentials/tetherPotential/tetherPotentialI.H
+++ b/applications/utilities/miscellaneous/patchSummary/patchSummaryTemplates.H
@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 1991-2005 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 1991-2007 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
@@ -24,33 +24,42 @@ License
 
 \*---------------------------------------------------------------------------*/
 
+#ifndef patchSummaryTemplates_H
+#define patchSummaryTemplates_H
+
+#include "fvCFD.H"
+#include "volFields.H"
+
 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
 namespace Foam
 {
+    template<class Type>
+    void addToFieldList
+    (
+        PtrList<GeometricField<Type, fvPatchField, volMesh> >& fieldList,
+        const IOobject& obj,
+        const label fieldI,
+        const fvMesh& mesh
+    );
 
-// * * * * * * * * * * * * * * * Member Functions  * * * * * * * * * * * * * //
-
-inline const word& tetherPotential::tetherPotentialName() const
-{
-    return tetherPotentialName_;
-}
-
-
-inline const word& tetherPotential::tetherPotentialType() const
-{
-    return tetherPotentialType_;
-}
-
-
-inline scalar tetherPotential::springConstant() const
-{
-    return springConstant_;
-}
+    template<class Type>
+    void outputFieldList
+    (
+        PtrList<GeometricField<Type, fvPatchField, volMesh> >& fieldList,
+        const label patchI
+    );
+} // End namespace Foam
 
 
 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
-} // End namespace Foam
+#ifdef NoRepository
+#   include "patchSummaryTemplates.C"
+#endif
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+#endif
 
 // ************************************************************************* //
diff --git a/applications/utilities/preProcessing/molConfig/Make/options b/applications/utilities/preProcessing/molConfig/Make/options
index 196a4d66dd..aab9a2ca4f 100755
--- a/applications/utilities/preProcessing/molConfig/Make/options
+++ b/applications/utilities/preProcessing/molConfig/Make/options
@@ -3,7 +3,8 @@ EXE_INC = \
     -I$(velocityDistributions) \
     -I$(LIB_SRC)/meshTools/lnInclude \
     -I$(LIB_SRC)/dynamicMesh/lnInclude \
-    -I$(LIB_SRC)/lagrangian/molecule/lnInclude \
+    -I$(LIB_SRC)/lagrangian/molecularDynamics/molecule/lnInclude \
+    -I$(LIB_SRC)/lagrangian/molecularDynamics/potential/lnInclude \
     -I$(LIB_SRC)/lagrangian/basic/lnInclude \
     -I$(LIB_SRC)/finiteVolume/lnInclude
 
@@ -12,4 +13,5 @@ EXE_LIBS = \
     -ldynamicMesh \
     -lfiniteVolume \
     -llagrangian \
-    -lmolecule
+    -lmolecule \
+    -lpotential
diff --git a/bin/foamLog b/bin/foamLog
index 28e97a4630..0848d50cc1 100755
--- a/bin/foamLog
+++ b/bin/foamLog
@@ -47,7 +47,7 @@ printUsage() {
 cat <<LABUSAGE
 $PROGNAME - extracts xy files from Foam logs.
 
-Usage: $PROGNAME [-n][-s] <root> <case> <log>
+Usage: $PROGNAME [-n][-s] <log>
            extracts xy files from log
        $PROGNAME -l <log>
            lists but does not extract
@@ -82,11 +82,11 @@ files with the extracted data only.
 
 The query database is a simple text format with three entries per line, 
 separated with '/'. Column 1 is the name of the variable (cannot contain
-spaces), column 2 is the regular expression to select the line and
-column 3 is the string to select the column inside the line. The value
-taken will be the first (non-space)word after this column.
-The database will either be \$HOME/.${PROGNAME}.db or if not found 
-$PROGDIR/${PROGNAME}.db.
+spaces), column 2 is the extended regular expression (egrep) to select
+the line and column 3 is the string (fgrep) to select the column inside the
+line. The value taken will be the first (non-space)word after this
+column. The database will either be \$HOME/.${PROGNAME}.db or if not
+found  $PROGDIR/${PROGNAME}.db.
 
 Option -s suppresses the default information and only prints the extracted
 variables.
@@ -105,7 +105,7 @@ myEcho() {
 # getSolvedVars logFile
 # Prints names of all 'solved for' variables in the log file.
 getSolvedVars() {
-    grep ' Solving for ' $1 | fgrep ',' | sed -e 's/.* Solving for \([^,]*\)[,:].*/\1/' | sort -u
+    fgrep ' Solving for ' $1 | fgrep ',' | sed -e 's/.* Solving for \([^,]*\)[,:].*/\1/' | sort -u
 }
 
 
@@ -163,7 +163,7 @@ getAllQueries() {
     for var in $dbQueries
     do
         getQueries $1 "$var"
-        line=`grep "$LINEQ" $2`
+        line=`egrep "$LINEQ" $2`
         if [ "$line" ]; then
             column=`echo "$line" | fgrep "$NUMQ"`
             if [ "$column" ]; then
@@ -228,14 +228,13 @@ if [ "$LISTONLY" ]; then
     exit 0
 fi
 
-if [ $# -ne 3 ]; then
+if [ $# -ne 1 ]; then
     printUsage
     exit 1
 fi
 
-ROOT=$1
-CASE=$2
-LOG=$3
+CASEDIR=.
+LOG=$1
 if [ ! -r $LOG ]; then
     echo "$PROGNAME: Cannot read log $LOG"
     exit 1
@@ -244,13 +243,13 @@ fi
 QUERYNAMES=`getAllQueries $DBFILE $LOG`
 
 
-if [ ! "$ROOT" -o ! "$CASE" ]; then
+if [ ! "$CASEDIR" ]; then
     printUsage
     exit 1
 fi
 
-if [ ! -d "$ROOT/$CASE" ]; then
-    echo "$PROGNAME: Cannot read $ROOT/$CASE"
+if [ ! -d "$CASEDIR" ]; then
+    echo "$PROGNAME: Cannot read $CASEDIR"
     exit 1
 fi
 
@@ -262,16 +261,14 @@ fi
 
 #-- Make logs dir in case directory and put awk file there.
 
-mkdir -p $ROOT/$CASE/logs
-AWKFILE=$ROOT/$CASE/logs/$PROGNAME.awk
+mkdir -p $CASEDIR/logs
+AWKFILE=$CASEDIR/logs/$PROGNAME.awk
 
 myEcho "Using:"
-myEcho "  root     : $ROOT"
-myEcho "  case     : $CASE"
 myEcho "  log      : $LOG"
 myEcho "  database : $DBFILE"
 myEcho "  awk file : $AWKFILE"
-myEcho "  files to : $ROOT/$CASE/logs"
+myEcho "  files to : $CASEDIR/logs"
 myEcho ""
 
 
@@ -364,19 +361,19 @@ cat <<LABSOLVE >> $AWKFILE
 
     varName=varNameVal[1]
     file=varName "_" subIter[varName]++
-    file="$ROOT/$CASE/logs/" file 
+    file="$CASEDIR/logs/" file 
     extract(\$0, "Initial residual = ", val)
     print $TIMENAME "\t" val[1] > file
 
     varName=varNameVal[1] "FinalRes"
     file=varName "_" subIter[varName]++
-    file="$ROOT/$CASE/logs/" file 
+    file="$CASEDIR/logs/" file 
     extract(\$0, "Final residual = ", val)
     print $TIMENAME "\t" val[1] > file
 
     varName=varNameVal[1] "Iters"
     file=varName "_" subIter[varName]++
-    file="$ROOT/$CASE/logs/" file 
+    file="$CASEDIR/logs/" file 
     extract(\$0, "No Iterations ", val)
     print $TIMENAME "\t" val[1] > file
 }
@@ -393,7 +390,7 @@ do
         echo "#-- Extraction of $queryName" >> $AWKFILE
         echo "/$LINEQ/ {" >> $AWKFILE
         echo "    extract(\$0, \"$NUMQ\", val)" >> $AWKFILE
-        echo "    file=\"$ROOT/$CASE/logs/${queryName}_\" ${counter}" >> $AWKFILE
+        echo "    file=\"$CASEDIR/logs/${queryName}_\" ${counter}" >> $AWKFILE
         echo "    print $TIMENAME \"\\t\" val[1] > file" >> $AWKFILE
         echo "    ${counter}++" >> $AWKFILE
         echo "}" >> $AWKFILE
diff --git a/bin/foamLog.db b/bin/foamLog.db
index 933dae1a8d..49d551f32c 100644
--- a/bin/foamLog.db
+++ b/bin/foamLog.db
@@ -48,6 +48,6 @@ epsMax/bounding epsilon,/max:
 epsAvg/bounding epsilon,/average: 
 
 #- gamma bounding
-gammaMin/Min\(gamma\) =/Min(gamma) =
-gammaMax/Max\(gamma\) =/Max(gamma) =
+gammaMin/Min\(gamma\) =/Min(gamma) = 
+gammaMax/Max\(gamma\) =/Max(gamma) = 
 
diff --git a/bin/upgradeTurbulenceProperties b/bin/upgradeTurbulenceProperties
new file mode 100755
index 0000000000..35de08f093
--- /dev/null
+++ b/bin/upgradeTurbulenceProperties
@@ -0,0 +1,85 @@
+#!/bin/sh
+#------------------------------------------------------------------------------
+# =========                 |
+# \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
+#  \\    /   O peration     |
+#   \\  /    A nd           | Copyright (C) 1991-2007 OpenCFD Ltd.
+#    \\/     M anipulation  |
+#------------------------------------------------------------------------------
+# License
+#     This file is part of OpenFOAM.
+#
+#     OpenFOAM is free software; you can redistribute it and/or modify it
+#     under the terms of the GNU General Public License as published by the
+#     Free Software Foundation; either version 2 of the License, or (at your
+#     option) any later version.
+#
+#     OpenFOAM is distributed in the hope that it will be useful, but WITHOUT
+#     ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+#     FITNESS FOR A PARTICULAR PURPOSE.  See the GNU General Public License
+#     for more details.
+#
+#     You should have received a copy of the GNU General Public License
+#     along with OpenFOAM; if not, write to the Free Software Foundation,
+#     Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
+#
+# Script
+#     upgradeTurbulenceProperties
+#
+# Description
+#     Upgrade the turbulenceProperties dictionary to the new format employed
+#     in OpenFOAM version 1.5
+#     - RAS turbulence models now defined by the RASProperties dictionary,
+#       and RASModel keyword, and
+#     - LES turbulence models now defined by the LESProperties dictionary,
+#       and LESModel keyword.
+#
+#------------------------------------------------------------------------------
+
+printUsage()
+{
+    echo "Usage: `basename $0` <turbulenceProperties>"
+    echo "    Where <turbulenceProperties> is the full path to the"
+    echo "    turbulenceProperties dictionary"
+}
+
+convertDict()
+{
+    echo "    Identified $1 turbulence model"
+
+    sed -e "s/turbulenceProperties/$1Properties/" \
+        -e "s/$2/$1Model/" \
+        -e "s/[a-zA-Z0-9]* [ ]*\[[0-9 ]*\]//" \
+        $3 > "$outputPath/$1Properties"
+
+    echo "    written $1Properties to $outputPath/"
+}
+
+outputPath=`dirname $1`
+
+if [ $# -ne 1 ]; then
+    printUsage
+    exit 1
+elif [ ! -e $1 ]; then
+    echo "    Error: file $1 does not exist"
+    echo ""
+    printUsage
+    exit 1
+fi
+
+# Identify type of turbulence model
+RAS=`grep turbulenceModel $1`
+LES=`grep LESmodel $1`
+
+if [ -n "$RAS" ]; then
+    convertDict "RAS" "turbulenceModel" $1
+elif [ -n "$LES" ]; then
+    convertDict "LES" "LESmodel" $1
+else
+    echo "Unable to determine turbulence model type - nothing changed"
+    exit 1
+fi
+
+echo "done."
+
+exit 0
diff --git a/doc/Doxygen/tools/README b/doc/Doxygen/tools/README
index 0a3a9ceecb..86c4e8ae73 100644
--- a/doc/Doxygen/tools/README
+++ b/doc/Doxygen/tools/README
@@ -11,4 +11,5 @@ Misc Tools
 1.  find-templateInComments
 2.  find-its
 3.  find-junkFiles
+4.  find-longlines
 
diff --git a/doc/Doxygen/tools/find-longlines b/doc/Doxygen/tools/find-longlines
new file mode 100755
index 0000000000..c5294715d8
--- /dev/null
+++ b/doc/Doxygen/tools/find-longlines
@@ -0,0 +1,46 @@
+#!/usr/bin/perl -w
+use strict;
+use File::Find ();
+
+# -----------------------------------------------------------------------------
+#
+# Script
+#     find-longlines
+#
+# Description
+#     Search for *.[CH] files that exceed the 80-column width
+#
+#     - print filename lineNumber and offending line (with truncation point)
+#
+# -----------------------------------------------------------------------------
+
+my $maxlen = 80;
+my $re_filespec = qr{^.+\.[CH]$};
+my $count;
+
+sub wanted {
+    unless ( lstat($_) and -f _ and -r _ and not -l _ and /$re_filespec/ ) {
+        return;
+    }
+
+    local @ARGV = $_;
+    while (<>) {
+        chomp;
+        s{\s+$}{};        # trim
+
+        if ( $maxlen < length ) {
+            $count++;
+            substr( $_, $maxlen, 0 ) = "||->>";    # show truncation point
+            print "$ARGV $. $_\n";
+        }
+    }
+    close ARGV;
+}
+
+## Traverse desired filesystems
+for my $dir (@ARGV) {
+    no warnings 'File::Find';
+    warn "(**) checking '$dir' ...\n";
+    File::Find::find( { wanted => \&wanted }, $dir );
+}
+
diff --git a/src/OpenFOAM/db/IOstreams/gzstream/gzstream.C.1.7 b/src/OpenFOAM/db/IOstreams/gzstream/gzstream.C.1.7
deleted file mode 100644
index 361609a24a..0000000000
--- a/src/OpenFOAM/db/IOstreams/gzstream/gzstream.C.1.7
+++ /dev/null
@@ -1,165 +0,0 @@
-// ============================================================================
-// gzstream, C++ iostream classes wrapping the zlib compression library.
-// Copyright (C) 2001  Deepak Bandyopadhyay, Lutz Kettner
-//
-// This library is free software; you can redistribute it and/or
-// modify it under the terms of the GNU Lesser General Public
-// License as published by the Free Software Foundation; either
-// version 2.1 of the License, or (at your option) any later version.
-//
-// This library 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
-// Lesser General Public License for more details.
-//
-// You should have received a copy of the GNU Lesser General Public
-// License along with this library; if not, write to the Free Software
-// Foundation, Inc., 59 Temple Place, Suite 330, Boston, MA  02111-1307  USA
-// ============================================================================
-//
-// File          : gzstream.C
-// Revision      : $Revision: 1.7 $
-// Revision_date : $Date: 2003/01/08 14:41:27 $
-// Author(s)     : Deepak Bandyopadhyay, Lutz Kettner
-// 
-// Standard streambuf implementation following Nicolai Josuttis, "The 
-// Standard C++ Library".
-// ============================================================================
-
-#include <gzstream.h>
-#include <iostream>
-#include <string.h>  // for memcpy
-
-#ifdef GZSTREAM_NAMESPACE
-namespace GZSTREAM_NAMESPACE {
-#endif
-
-// ----------------------------------------------------------------------------
-// Internal classes to implement gzstream. See header file for user classes.
-// ----------------------------------------------------------------------------
-
-// --------------------------------------
-// class gzstreambuf:
-// --------------------------------------
-
-gzstreambuf* gzstreambuf::open( const char* name, int open_mode) {
-    if ( is_open())
-        return reinterpret_cast<gzstreambuf*>(0);
-    mode = open_mode;
-    // no append nor read/write mode
-    if ((mode & std::ios::ate) || (mode & std::ios::app)
-        || ((mode & std::ios::in) && (mode & std::ios::out)))
-        return reinterpret_cast<gzstreambuf*>(0);
-    char  fmode[10];
-    char* fmodeptr = fmode;
-    if ( mode & std::ios::in)
-        *fmodeptr++ = 'r';
-    else if ( mode & std::ios::out)
-        *fmodeptr++ = 'w';
-    *fmodeptr++ = 'b';
-    *fmodeptr = '\0';
-    file = gzopen( name, fmode);
-    if (file == 0)
-        return reinterpret_cast<gzstreambuf*>(0);
-    opened = 1;
-    return this;
-}
-
-gzstreambuf * gzstreambuf::close() {
-    if ( is_open()) {
-        sync();
-        opened = 0;
-        if ( gzclose( file) == Z_OK)
-            return this;
-    }
-    return reinterpret_cast<gzstreambuf*>(0);
-}
-
-int gzstreambuf::underflow() { // used for input buffer only
-    if ( gptr() && ( gptr() < egptr()))
-        return * reinterpret_cast<unsigned char *>( gptr());
-
-    if ( ! (mode & std::ios::in) || ! opened)
-        return EOF;
-    // Josuttis' implementation of inbuf
-    int n_putback = gptr() - eback();
-    if ( n_putback > 4)
-        n_putback = 4;
-    memcpy( buffer + (4 - n_putback), gptr() - n_putback, n_putback);
-
-    int num = gzread( file, buffer+4, bufferSize-4);
-    if (num <= 0) // ERROR or EOF
-        return EOF;
-
-    // reset buffer pointers
-    setg( buffer + (4 - n_putback),   // beginning of putback area
-          buffer + 4,                 // read position
-          buffer + 4 + num);          // end of buffer
-
-    // return next character
-    return * reinterpret_cast<unsigned char *>( gptr());    
-}
-
-int gzstreambuf::flush_buffer() {
-    // Separate the writing of the buffer from overflow() and
-    // sync() operation.
-    int w = pptr() - pbase();
-    if ( gzwrite( file, pbase(), w) != w)
-        return EOF;
-    pbump( -w);
-    return w;
-}
-
-int gzstreambuf::overflow( int c) { // used for output buffer only
-    if ( ! ( mode & std::ios::out) || ! opened)
-        return EOF;
-    if (c != EOF) {
-        *pptr() = c;
-        pbump(1);
-    }
-    if ( flush_buffer() == EOF)
-        return EOF;
-    return c;
-}
-
-int gzstreambuf::sync() {
-    // Changed to use flush_buffer() instead of overflow( EOF)
-    // which caused improper behavior with std::endl and flush(),
-    // bug reported by Vincent Ricard.
-    if ( pptr() && pptr() > pbase()) {
-        if ( flush_buffer() == EOF)
-            return -1;
-    }
-    return 0;
-}
-
-// --------------------------------------
-// class gzstreambase:
-// --------------------------------------
-
-gzstreambase::gzstreambase( const char* name, int mode) {
-    init( &buf);
-    open( name, mode);
-}
-
-gzstreambase::~gzstreambase() {
-    buf.close();
-}
-
-void gzstreambase::open( const char* name, int open_mode) {
-    if ( ! buf.open( name, open_mode))
-        clear( rdstate() | std::ios::badbit);
-}
-
-void gzstreambase::close() {
-    if ( buf.is_open())
-        if ( ! buf.close())
-            clear( rdstate() | std::ios::badbit);
-}
-
-#ifdef GZSTREAM_NAMESPACE
-} // namespace GZSTREAM_NAMESPACE
-#endif
-
-// ============================================================================
-// EOF //
diff --git a/src/OpenFOAM/db/IOstreams/gzstream/gzstream.h.1.5 b/src/OpenFOAM/db/IOstreams/gzstream/gzstream.h.1.5
deleted file mode 100644
index 861653f481..0000000000
--- a/src/OpenFOAM/db/IOstreams/gzstream/gzstream.h.1.5
+++ /dev/null
@@ -1,121 +0,0 @@
-// ============================================================================
-// gzstream, C++ iostream classes wrapping the zlib compression library.
-// Copyright (C) 2001  Deepak Bandyopadhyay, Lutz Kettner
-//
-// This library is free software; you can redistribute it and/or
-// modify it under the terms of the GNU Lesser General Public
-// License as published by the Free Software Foundation; either
-// version 2.1 of the License, or (at your option) any later version.
-//
-// This library 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
-// Lesser General Public License for more details.
-//
-// You should have received a copy of the GNU Lesser General Public
-// License along with this library; if not, write to the Free Software
-// Foundation, Inc., 59 Temple Place, Suite 330, Boston, MA  02111-1307  USA
-// ============================================================================
-//
-// File          : gzstream.h
-// Revision      : $Revision: 1.5 $
-// Revision_date : $Date: 2002/04/26 23:30:15 $
-// Author(s)     : Deepak Bandyopadhyay, Lutz Kettner
-// 
-// Standard streambuf implementation following Nicolai Josuttis, "The 
-// Standard C++ Library".
-// ============================================================================
-
-#ifndef GZSTREAM_H
-#define GZSTREAM_H 1
-
-// standard C++ with new header file names and std:: namespace
-#include <iostream>
-#include <fstream>
-#include <zlib.h>
-
-#ifdef GZSTREAM_NAMESPACE
-namespace GZSTREAM_NAMESPACE {
-#endif
-
-// ----------------------------------------------------------------------------
-// Internal classes to implement gzstream. See below for user classes.
-// ----------------------------------------------------------------------------
-
-class gzstreambuf : public std::streambuf {
-private:
-    static const int bufferSize = 47+256;    // size of data buff
-    // totals 512 bytes under g++ for igzstream at the end.
-
-    gzFile           file;               // file handle for compressed file
-    char             buffer[bufferSize]; // data buffer
-    char             opened;             // open/close state of stream
-    int              mode;               // I/O mode
-
-    int flush_buffer();
-public:
-    gzstreambuf() : opened(0) {
-        setp( buffer, buffer + (bufferSize-1));
-        setg( buffer + 4,     // beginning of putback area
-              buffer + 4,     // read position
-              buffer + 4);    // end position      
-        // ASSERT: both input & output capabilities will not be used together
-    }
-    int is_open() { return opened; }
-    gzstreambuf* open( const char* name, int open_mode);
-    gzstreambuf* close();
-    ~gzstreambuf() { close(); }
-    
-    virtual int     overflow( int c = EOF);
-    virtual int     underflow();
-    virtual int     sync();
-};
-
-class gzstreambase : virtual public std::ios {
-protected:
-    gzstreambuf buf;
-public:
-    gzstreambase() { init(&buf); }
-    gzstreambase( const char* name, int open_mode);
-    ~gzstreambase();
-    void open( const char* name, int open_mode);
-    void close();
-    gzstreambuf* rdbuf() { return &buf; }
-};
-
-// ----------------------------------------------------------------------------
-// User classes. Use igzstream and ogzstream analogously to ifstream and
-// ofstream respectively. They read and write files based on the gz* 
-// function interface of the zlib. Files are compatible with gzip compression.
-// ----------------------------------------------------------------------------
-
-class igzstream : public gzstreambase, public std::istream {
-public:
-    igzstream() : std::istream( &buf) {} 
-    igzstream( const char* name, int open_mode = std::ios::in)
-        : gzstreambase( name, open_mode), std::istream( &buf) {}  
-    gzstreambuf* rdbuf() { return gzstreambase::rdbuf(); }
-    void open( const char* name, int open_mode = std::ios::in) {
-        gzstreambase::open( name, open_mode);
-    }
-};
-
-class ogzstream : public gzstreambase, public std::ostream {
-public:
-    ogzstream() : std::ostream( &buf) {}
-    ogzstream( const char* name, int mode = std::ios::out)
-        : gzstreambase( name, mode), std::ostream( &buf) {}  
-    gzstreambuf* rdbuf() { return gzstreambase::rdbuf(); }
-    void open( const char* name, int open_mode = std::ios::out) {
-        gzstreambase::open( name, open_mode);
-    }
-};
-
-#ifdef GZSTREAM_NAMESPACE
-} // namespace GZSTREAM_NAMESPACE
-#endif
-
-#endif // GZSTREAM_H
-// ============================================================================
-// EOF //
-
diff --git a/src/autoMesh/autoHexMesh/autoHexMeshDriver/autoHexMeshDriver.H b/src/autoMesh/autoHexMesh/autoHexMeshDriver/autoHexMeshDriver.H
index 6576e3699c..790ef687b9 100644
--- a/src/autoMesh/autoHexMesh/autoHexMeshDriver/autoHexMeshDriver.H
+++ b/src/autoMesh/autoHexMesh/autoHexMeshDriver/autoHexMeshDriver.H
@@ -803,7 +803,7 @@ public:
             (
                 const dictionary& shrinkDict,
                 const dictionary& motionDict,
-                const scalar nAllowableErrors,
+                const label nAllowableErrors,
                 motionSmoother&
             );
 
diff --git a/src/autoMesh/autoHexMesh/autoHexMeshDriver/autoHexMeshDriverLayers.C b/src/autoMesh/autoHexMesh/autoHexMeshDriver/autoHexMeshDriverLayers.C
index 1cfbee79d4..1de6e845fb 100644
--- a/src/autoMesh/autoHexMesh/autoHexMeshDriver/autoHexMeshDriverLayers.C
+++ b/src/autoMesh/autoHexMesh/autoHexMeshDriver/autoHexMeshDriverLayers.C
@@ -2346,7 +2346,7 @@ void Foam::autoHexMeshDriver::addLayers
 (
     const dictionary& shrinkDict,
     const dictionary& motionDict,
-    const scalar nAllowableErrors,
+    const label nAllowableErrors,
     motionSmoother& meshMover
 )
 {
diff --git a/src/finiteVolume/Make/files b/src/finiteVolume/Make/files
index c899636dce..d0e560c73b 100644
--- a/src/finiteVolume/Make/files
+++ b/src/finiteVolume/Make/files
@@ -103,8 +103,6 @@ $(derivedFvPatchFields)/timeVaryingUniformTotalPressure/timeVaryingUniformTotalP
 $(derivedFvPatchFields)/totalTemperature/totalTemperatureFvPatchScalarField.C
 $(derivedFvPatchFields)/turbulentInlet/turbulentInletFvPatchFields.C
 $(derivedFvPatchFields)/turbulentIntensityKineticEnergyInlet/turbulentIntensityKineticEnergyInletFvPatchScalarField.C
-$(derivedFvPatchFields)/turbulentMixingLengthDissipationRateInlet/turbulentMixingLengthDissipationRateInletFvPatchScalarField.C
-$(derivedFvPatchFields)/turbulentMixingLengthFrequencyInlet/turbulentMixingLengthFrequencyInletFvPatchScalarField.C
 $(derivedFvPatchFields)/uniformFixedValue/uniformFixedValueFvPatchFields.C
 $(derivedFvPatchFields)/waveTransmissive/waveTransmissiveFvPatchFields.C
 
diff --git a/src/finiteVolume/cfdTools/general/porousMedia/porousZone.C b/src/finiteVolume/cfdTools/general/porousMedia/porousZone.C
index 1a1d940193..c2fca0bbd9 100644
--- a/src/finiteVolume/cfdTools/general/porousMedia/porousZone.C
+++ b/src/finiteVolume/cfdTools/general/porousMedia/porousZone.C
@@ -32,15 +32,28 @@ License
 // * * * * * * * * * * * * Static Member Functions * * * * * * * * * * * * * //
 
 // adjust negative resistance values to be multiplier of max value
-void Foam::porousZone::adjustNegativeResistance(vector& resist)
+void Foam::porousZone::adjustNegativeResistance(dimensionedVector& resist)
 {
-    scalar maxCmpt = max(0, cmptMax(resist));
+    scalar maxCmpt = max(0, cmptMax(resist.value()));
 
-    for (label cmpt=0; cmpt < vector::nComponents; ++cmpt)
+    if (maxCmpt < 0)
     {
-        if (resist[cmpt] < 0)
+        FatalErrorIn
+        (
+            "Foam::porousZone::porousZone::adjustNegativeResistance"
+            "(dimensionedVector&)"
+        )   << "negative resistances! " << resist
+            << exit(FatalError);
+    }
+    else
+    {
+        vector& val = resist.value();
+        for (label cmpt=0; cmpt < vector::nComponents; ++cmpt)
         {
-            resist[cmpt] *= -maxCmpt;
+            if (val[cmpt] < 0)
+            {
+                val[cmpt] *= -maxCmpt;
+            }
         }
     }
 }
@@ -71,24 +84,20 @@ Foam::porousZone::porousZone
         FatalErrorIn
         (
             "Foam::porousZone::porousZone"
-            "(const fvMesh&, const Istream&)"
+            "(const fvMesh&, const word&, const dictionary&)"
         )   << "cannot find porous cellZone " << name_
             << exit(FatalError);
     }
 
-    // local-to-global transformation tensor
-    const tensor& E = coordSys_.R();
-
     // porosity
-    if (dict_.found("porosity"))
+    if (dict_.readIfPresent("porosity", porosity_))
     {
-        dict_.lookup("porosity") >> porosity_;
-
         if (porosity_ <= 0.0 || porosity_ > 1.0)
         {
             FatalIOErrorIn
             (
-                "Foam::porousZone::porousZone(const fvMesh&, const Istream&)",
+                "Foam::porousZone::porousZone"
+                "(const fvMesh&, const word&, const dictionary&)",
                 dict_
             )
                 << "out-of-range porosity value " << porosity_
@@ -97,73 +106,64 @@ Foam::porousZone::porousZone
     }
 
     // powerLaw coefficients
-    if (dict_.found("powerLaw"))
+    if (const dictionary* dictPtr = dict_.subDictPtr("powerLaw"))
     {
-        const dictionary& subDict = dict_.subDict("powerLaw");
-        if (subDict.found("C0"))
-        {
-            subDict.lookup("C0") >> C0_;
-        }
-        if (subDict.found("C1"))
-        {
-            subDict.lookup("C1") >> C1_;
-        }
+        dictPtr->readIfPresent("C0", C0_);
+        dictPtr->readIfPresent("C1", C1_);
     }
 
     // Darcy-Forchheimer coefficients
-    if (dict_.found("Darcy"))
+    if (const dictionary* dictPtr = dict_.subDictPtr("Darcy"))
     {
-        const dictionary& subDict = dict_.subDict("Darcy");
+        // local-to-global transformation tensor
+        const tensor& E = coordSys_.R();
 
-        dimensionedVector d("d", D_.dimensions(), vector::zero);
-        dimensionedVector f("f", F_.dimensions(), vector::zero);
-
-        if (subDict.found("d"))
+        dimensionedVector d(vector::zero);
+        if (dictPtr->readIfPresent("d", d))
         {
-            // d = dimensionedVector("d", subDict.lookup("d"));
-            subDict.lookup("d") >> d;
-            adjustNegativeResistance(d.value());
+            if (D_.dimensions() != d.dimensions())
+            {
+                FatalIOErrorIn
+                (
+                    "Foam::porousZone::porousZone"
+                    "(const fvMesh&, const word&, const dictionary&)",
+                    dict_
+                )   << "incorrect dimensions for d: " << d.dimensions()
+                    << " should be " << D_.dimensions()
+                    << exit(FatalIOError);
+            }
 
-        }
-        if (subDict.found("f"))
-        {
-            // f = dimensionedVector("f", subDict.lookup("f"));
-            subDict.lookup("f") >> f;
-            adjustNegativeResistance(f.value());
+            adjustNegativeResistance(d);
+
+            D_.value().xx() = d.value().x();
+            D_.value().yy() = d.value().y();
+            D_.value().zz() = d.value().z();
+            D_.value() = (E & D_ & E.T()).value();
         }
 
-        if (D_.dimensions() != d.dimensions())
+        dimensionedVector f(vector::zero);
+        if (dictPtr->readIfPresent("f", f))
         {
-            FatalIOErrorIn
-            (
-                "Foam::porousZone::porousZone(const fvMesh&, const Istream&)",
-                dict_
-            )   << "incorrect dimensions for d: " << d.dimensions()
-                << " should be " << D_.dimensions()
-                << exit(FatalIOError);
+            if (F_.dimensions() != f.dimensions())
+            {
+                FatalIOErrorIn
+                (
+                    "Foam::porousZone::porousZone"
+                    "(const fvMesh&, const word&, const dictionary&)",
+                    dict_
+                )   << "incorrect dimensions for f: " << f.dimensions()
+                    << " should be " << F_.dimensions()
+                    << exit(FatalIOError);
+            }
+
+            adjustNegativeResistance(f);
+
+            // leading 0.5 is from 1/2 * rho
+            F_.value().xx() = 0.5*f.value().x();
+            F_.value().yy() = 0.5*f.value().y();
+            F_.value().zz() = 0.5*f.value().z();
+            F_.value() = (E & F_ & E.T()).value();
         }
-
-        if (F_.dimensions() != f.dimensions())
-        {
-            FatalIOErrorIn
-            (
-                "Foam::porousZone::porousZone(const fvMesh&, const Istream&)",
-                dict_
-            )   << "incorrect dimensions for f: " << f.dimensions()
-                << " should be " << F_.dimensions()
-                << exit(FatalIOError);
-        }
-
-        D_.value().xx() = d.value().x();
-        D_.value().yy() = d.value().y();
-        D_.value().zz() = d.value().z();
-        D_.value() = (E & D_ & E.T()).value();
-
-        // leading 0.5 is from 1/2 * rho
-        F_.value().xx() = 0.5*f.value().x();
-        F_.value().yy() = 0.5*f.value().y();
-        F_.value().zz() = 0.5*f.value().z();
-        F_.value() = (E & F_ & E.T()).value();
     }
 
     // provide some feedback for the user
@@ -179,7 +179,8 @@ Foam::porousZone::porousZone
     {
         FatalIOErrorIn
         (
-            "Foam::porousZone::porousZone(const fvMesh&, const Istream&)",
+            "Foam::porousZone::porousZone"
+            "(const fvMesh&, const word&, const dictionary&)",
             dict_
         )   << "neither powerLaw (C0/C1) "
                "nor Darcy-Forchheimer law (d/f) specified"
diff --git a/src/finiteVolume/cfdTools/general/porousMedia/porousZone.H b/src/finiteVolume/cfdTools/general/porousMedia/porousZone.H
index eb58f7bb47..671c39fa45 100644
--- a/src/finiteVolume/cfdTools/general/porousMedia/porousZone.H
+++ b/src/finiteVolume/cfdTools/general/porousMedia/porousZone.H
@@ -128,7 +128,7 @@ class porousZone
     // Private Member Functions
 
         //- adjust negative resistance values to be multiplier of max value
-        static void adjustNegativeResistance(vector& resist);
+        static void adjustNegativeResistance(dimensionedVector& resist);
 
         //- Power-law resistance
         template<class RhoFieldType>
diff --git a/src/lagrangian/Allwmake b/src/lagrangian/Allwmake
index 567f7a10de..0a5e86bdef 100755
--- a/src/lagrangian/Allwmake
+++ b/src/lagrangian/Allwmake
@@ -5,4 +5,6 @@ wmake libso basic
 wmake libso solidParticle
 wmake libso intermediate
 wmake libso dieselSpray
-wmake libso molecule
+(cd molecularDynamics && wmake libso potential)
+(cd molecularDynamics && wmake libso molecule)
+
diff --git a/src/lagrangian/molecule/Make/files b/src/lagrangian/molecularDynamics/molecule/Make/files
similarity index 83%
rename from src/lagrangian/molecule/Make/files
rename to src/lagrangian/molecularDynamics/molecule/Make/files
index d8063d0974..0bb1acc49b 100755
--- a/src/lagrangian/molecule/Make/files
+++ b/src/lagrangian/molecularDynamics/molecule/Make/files
@@ -11,11 +11,6 @@ referredMolecule = referredMolecule
 referredCellList = referredCellList
 referredCell = referredCell
 referralLists = referralLists
-
-potentials = potentials
-pairPotential = $(potentials)/pairPotential
-tetherPotential = $(potentials)/tetherPotential
-
 $(distribution)/distribution.C
 
 $(reducedUnits)/reducedUnits.C
@@ -42,11 +37,6 @@ $(moleculeCloud)/moleculeCloudIntegrateEquationsOfMotion.C
 $(moleculeCloud)/moleculeCloudRemoveHighEnergyOverlaps.C
 $(moleculeCloud)/moleculeCloudApplyConstraintsAndThermostats.C
 
-$(pairPotential)/basic/pairPotential.C
-$(pairPotential)/basic/pairPotentialList.C
-$(tetherPotential)/tetherPotential.C
-$(tetherPotential)/tetherPotentialList.C
-
 $(referralLists)/receivingReferralList.C
 $(referralLists)/sendingReferralList.C
 $(referredCellList)/referredCellList.C
diff --git a/src/lagrangian/molecule/Make/options b/src/lagrangian/molecularDynamics/molecule/Make/options
similarity index 57%
rename from src/lagrangian/molecule/Make/options
rename to src/lagrangian/molecularDynamics/molecule/Make/options
index a0fb316eec..cc91fd4bbe 100755
--- a/src/lagrangian/molecule/Make/options
+++ b/src/lagrangian/molecularDynamics/molecule/Make/options
@@ -1,8 +1,10 @@
 EXE_INC = \
     -I$(LIB_SRC)/finiteVolume/lnInclude \
     -I$(LIB_SRC)/lagrangian/basic/lnInclude \
+    -I$(LIB_SRC)/lagrangian/molecularDynamics/potential/lnInclude
 
 EXE_LIBS = \
     -lfiniteVolume \
-    -llagrangian
+    -llagrangian \
+    -lpotential
 
diff --git a/src/lagrangian/molecule/correlationFunction/bufferedAccumulator/bufferedAccumulator.C b/src/lagrangian/molecularDynamics/molecule/correlationFunction/bufferedAccumulator/bufferedAccumulator.C
old mode 100755
new mode 100644
similarity index 100%
rename from src/lagrangian/molecule/correlationFunction/bufferedAccumulator/bufferedAccumulator.C
rename to src/lagrangian/molecularDynamics/molecule/correlationFunction/bufferedAccumulator/bufferedAccumulator.C
diff --git a/src/lagrangian/molecule/correlationFunction/bufferedAccumulator/bufferedAccumulator.H b/src/lagrangian/molecularDynamics/molecule/correlationFunction/bufferedAccumulator/bufferedAccumulator.H
old mode 100755
new mode 100644
similarity index 100%
rename from src/lagrangian/molecule/correlationFunction/bufferedAccumulator/bufferedAccumulator.H
rename to src/lagrangian/molecularDynamics/molecule/correlationFunction/bufferedAccumulator/bufferedAccumulator.H
diff --git a/src/lagrangian/molecule/correlationFunction/bufferedAccumulator/bufferedAccumulatorI.H b/src/lagrangian/molecularDynamics/molecule/correlationFunction/bufferedAccumulator/bufferedAccumulatorI.H
old mode 100755
new mode 100644
similarity index 100%
rename from src/lagrangian/molecule/correlationFunction/bufferedAccumulator/bufferedAccumulatorI.H
rename to src/lagrangian/molecularDynamics/molecule/correlationFunction/bufferedAccumulator/bufferedAccumulatorI.H
diff --git a/src/lagrangian/molecule/correlationFunction/bufferedAccumulator/bufferedAccumulatorIO.C b/src/lagrangian/molecularDynamics/molecule/correlationFunction/bufferedAccumulator/bufferedAccumulatorIO.C
old mode 100755
new mode 100644
similarity index 100%
rename from src/lagrangian/molecule/correlationFunction/bufferedAccumulator/bufferedAccumulatorIO.C
rename to src/lagrangian/molecularDynamics/molecule/correlationFunction/bufferedAccumulator/bufferedAccumulatorIO.C
diff --git a/src/lagrangian/molecule/correlationFunction/correlationFunction.C b/src/lagrangian/molecularDynamics/molecule/correlationFunction/correlationFunction.C
similarity index 100%
rename from src/lagrangian/molecule/correlationFunction/correlationFunction.C
rename to src/lagrangian/molecularDynamics/molecule/correlationFunction/correlationFunction.C
diff --git a/src/lagrangian/molecule/correlationFunction/correlationFunction.H b/src/lagrangian/molecularDynamics/molecule/correlationFunction/correlationFunction.H
similarity index 100%
rename from src/lagrangian/molecule/correlationFunction/correlationFunction.H
rename to src/lagrangian/molecularDynamics/molecule/correlationFunction/correlationFunction.H
diff --git a/src/lagrangian/molecule/correlationFunction/correlationFunctionI.H b/src/lagrangian/molecularDynamics/molecule/correlationFunction/correlationFunctionI.H
similarity index 100%
rename from src/lagrangian/molecule/correlationFunction/correlationFunctionI.H
rename to src/lagrangian/molecularDynamics/molecule/correlationFunction/correlationFunctionI.H
diff --git a/src/lagrangian/molecule/correlationFunction/correlationFunctionIO.C b/src/lagrangian/molecularDynamics/molecule/correlationFunction/correlationFunctionIO.C
similarity index 100%
rename from src/lagrangian/molecule/correlationFunction/correlationFunctionIO.C
rename to src/lagrangian/molecularDynamics/molecule/correlationFunction/correlationFunctionIO.C
diff --git a/src/lagrangian/molecule/distribution/distribution.C b/src/lagrangian/molecularDynamics/molecule/distribution/distribution.C
old mode 100755
new mode 100644
similarity index 97%
rename from src/lagrangian/molecule/distribution/distribution.C
rename to src/lagrangian/molecularDynamics/molecule/distribution/distribution.C
index 717929e5e4..166391acb6
--- a/src/lagrangian/molecule/distribution/distribution.C
+++ b/src/lagrangian/molecularDynamics/molecule/distribution/distribution.C
@@ -135,7 +135,7 @@ scalar distribution::median()
 
     scalar runningSum = 0.0;
 
-    List< Pair<scalar> > normDist(normalised());
+    List<Pair<scalar> > normDist(normalised());
 
     if (normDist.size())
     {
@@ -259,7 +259,7 @@ List< Pair<scalar> > distribution::normalised()
 
     sort(keys);
 
-    List< Pair<scalar> > normDist(size());
+    List<Pair<scalar> > normDist(size());
 
     forAll(keys,k)
     {
@@ -282,9 +282,9 @@ List< Pair<scalar> > distribution::normalisedMinusMean()
 
 List< Pair<scalar> > distribution::normalisedShifted(const scalar shiftValue)
 {
-    List< Pair<scalar> > oldDist(normalised());
+    List<Pair<scalar> > oldDist(normalised());
 
-    List< Pair<scalar> > newDist(oldDist.size());
+    List<Pair<scalar> > newDist(oldDist.size());
 
     forAll(oldDist,u)
     {
@@ -383,7 +383,7 @@ List< Pair<scalar> > distribution::normalisedShifted(const scalar shiftValue)
 }
 
 
-List< Pair<scalar> > distribution::raw()
+List<Pair<scalar> > distribution::raw()
 {
     insertMissingKeys();
 
@@ -391,7 +391,7 @@ List< Pair<scalar> > distribution::raw()
 
     sort(keys);
 
-    List< Pair<scalar> > rawDist(size());
+    List<Pair<scalar> > rawDist(size());
 
     forAll(keys,k)
     {
diff --git a/src/lagrangian/molecule/distribution/distribution.H b/src/lagrangian/molecularDynamics/molecule/distribution/distribution.H
old mode 100755
new mode 100644
similarity index 99%
rename from src/lagrangian/molecule/distribution/distribution.H
rename to src/lagrangian/molecularDynamics/molecule/distribution/distribution.H
index c2de1055c1..3e222580ef
--- a/src/lagrangian/molecule/distribution/distribution.H
+++ b/src/lagrangian/molecularDynamics/molecule/distribution/distribution.H
@@ -102,6 +102,7 @@ public:
 
         List<Pair<scalar> > raw();
 
+
         // Access
 
             inline scalar binWidth() const;
diff --git a/src/lagrangian/molecule/distribution/distributionI.H b/src/lagrangian/molecularDynamics/molecule/distribution/distributionI.H
old mode 100755
new mode 100644
similarity index 100%
rename from src/lagrangian/molecule/distribution/distributionI.H
rename to src/lagrangian/molecularDynamics/molecule/distribution/distributionI.H
diff --git a/src/lagrangian/molecule/distribution/distributionIO.C b/src/lagrangian/molecularDynamics/molecule/distribution/distributionIO.C
old mode 100755
new mode 100644
similarity index 100%
rename from src/lagrangian/molecule/distribution/distributionIO.C
rename to src/lagrangian/molecularDynamics/molecule/distribution/distributionIO.C
diff --git a/src/lagrangian/molecule/mdTools/averageMDFields.H b/src/lagrangian/molecularDynamics/molecule/mdTools/averageMDFields.H
old mode 100755
new mode 100644
similarity index 100%
rename from src/lagrangian/molecule/mdTools/averageMDFields.H
rename to src/lagrangian/molecularDynamics/molecule/mdTools/averageMDFields.H
diff --git a/src/lagrangian/molecule/mdTools/calculateAutoCorrelationFunctions.H b/src/lagrangian/molecularDynamics/molecule/mdTools/calculateAutoCorrelationFunctions.H
similarity index 84%
rename from src/lagrangian/molecule/mdTools/calculateAutoCorrelationFunctions.H
rename to src/lagrangian/molecularDynamics/molecule/mdTools/calculateAutoCorrelationFunctions.H
index a7c4c326bb..8f7574a077 100644
--- a/src/lagrangian/molecule/mdTools/calculateAutoCorrelationFunctions.H
+++ b/src/lagrangian/molecularDynamics/molecule/mdTools/calculateAutoCorrelationFunctions.H
@@ -79,5 +79,27 @@ if (mesh.time().timeIndex() % pacf.sampleSteps() == 0)
 
 if (mesh.time().timeIndex() % hfacf.sampleSteps() == 0)
 {
-//     hFacf.calculateCorrelationFunction();
+
+    IDLList<molecule>::iterator mol(molecules.begin());
+
+    vector s = vector::zero;
+
+    for
+    (
+        mol = molecules.begin();
+        mol != molecules.end();
+        ++mol
+    )
+    {
+        s +=
+        (
+            0.5 * mol().mass() * magSqr(mol().U())
+            +
+            mol().potentialEnergy()
+        ) * mol().U()
+        +
+        0.5 * ( mol().rf() & mol().U() );
+    }
+
+    hfacf.calculateCorrelationFunction(s);
 }
diff --git a/src/lagrangian/molecule/mdTools/calculateMDFields.H b/src/lagrangian/molecularDynamics/molecule/mdTools/calculateMDFields.H
old mode 100755
new mode 100644
similarity index 100%
rename from src/lagrangian/molecule/mdTools/calculateMDFields.H
rename to src/lagrangian/molecularDynamics/molecule/mdTools/calculateMDFields.H
diff --git a/src/lagrangian/molecule/mdTools/calculateTransportProperties.H b/src/lagrangian/molecularDynamics/molecule/mdTools/calculateTransportProperties.H
similarity index 81%
rename from src/lagrangian/molecule/mdTools/calculateTransportProperties.H
rename to src/lagrangian/molecularDynamics/molecule/mdTools/calculateTransportProperties.H
index 15e0dab7e3..b0923c42db 100644
--- a/src/lagrangian/molecule/mdTools/calculateTransportProperties.H
+++ b/src/lagrangian/molecularDynamics/molecule/mdTools/calculateTransportProperties.H
@@ -59,7 +59,24 @@ Info<< "Viscosity = "
 
 if(writeHFacf)
 {
-
+    OFstream hfacfFile
+    (
+        runTime.path()/ + "hfacf"
+    );
+    
+    if (!hfacf.writeAveraged(hfacfFile))
+    {
+        FatalErrorIn(args.executable())
+            << "Failed writing to "
+            << hfacfFile.name()
+            << abort(FatalError);
+    }
 }
 
-
+Info << "Thermal conductivity = "
+    << hfacf.integral()
+        /averageTemperature
+        /averageTemperature
+        /moleculeCloud::kb
+        / meshVolume
+    << endl;
diff --git a/src/lagrangian/molecule/mdTools/createAutoCorrelationFunctions.H b/src/lagrangian/molecularDynamics/molecule/mdTools/createAutoCorrelationFunctions.H
similarity index 100%
rename from src/lagrangian/molecule/mdTools/createAutoCorrelationFunctions.H
rename to src/lagrangian/molecularDynamics/molecule/mdTools/createAutoCorrelationFunctions.H
diff --git a/src/lagrangian/molecule/mdTools/createMDFields.H b/src/lagrangian/molecularDynamics/molecule/mdTools/createMDFields.H
old mode 100755
new mode 100644
similarity index 80%
rename from src/lagrangian/molecule/mdTools/createMDFields.H
rename to src/lagrangian/molecularDynamics/molecule/mdTools/createMDFields.H
index f5742fd2c8..dccd1891a7
--- a/src/lagrangian/molecule/mdTools/createMDFields.H
+++ b/src/lagrangian/molecularDynamics/molecule/mdTools/createMDFields.H
@@ -2,25 +2,25 @@
 
 List< scalarField > allSpeciesN_RU
 (
-    molecules.nIds(),
+    molecules.pairPotentials().nIds(),
     scalarField (mesh.nCells(), 0.0)
 );
 
 List< scalarField > allSpeciesM_RU
 (
-    molecules.nIds(),
+    molecules.pairPotentials().nIds(),
     scalarField (mesh.nCells(), 0.0)
 );
 
 List< vectorField > allSpeciesVelocitySum_RU
 (
-    molecules.nIds(),
+    molecules.pairPotentials().nIds(),
     vectorField (mesh.nCells(), vector::zero)
 );
 
 List< scalarField > allSpeciesVelocityMagSquaredSum_RU
 (
-    molecules.nIds(),
+    molecules.pairPotentials().nIds(),
     scalarField (mesh.nCells(), 0.0)
 );
 
@@ -34,13 +34,13 @@ Info << nl << "Creating fields." << endl;
 
 PtrList<volScalarField> allSpeciesRhoN
 (
-    molecules.nIds()
+    molecules.pairPotentials().nIds()
 );
 
 forAll (allSpeciesRhoN, rN)
 {
     Info << "    Creating number density field for "
-        << molecules.idList()[rN] << endl;
+        << molecules.pairPotentials().idList()[rN] << endl;
 
     allSpeciesRhoN.set
     (
@@ -49,7 +49,7 @@ forAll (allSpeciesRhoN, rN)
         (
             IOobject
             (
-                "rhoN_" + molecules.idList()[rN],
+                "rhoN_" + molecules.pairPotentials().idList()[rN],
                 runTime.timeName(),
                 mesh,
                 IOobject::NO_READ,
@@ -89,13 +89,13 @@ totalRhoN.correctBoundaryConditions();
 
 PtrList<volScalarField> allSpeciesRhoM
 (
-    molecules.nIds()
+    molecules.pairPotentials().nIds()
 );
 
 forAll (allSpeciesRhoM, rM)
 {
     Info << "    Creating mass density field for "
-        << molecules.idList()[rM] << endl;
+        << molecules.pairPotentials().idList()[rM] << endl;
 
     allSpeciesRhoM.set
     (
@@ -104,7 +104,7 @@ forAll (allSpeciesRhoM, rM)
         (
             IOobject
             (
-                "rhoM_" + molecules.idList()[rM],
+                "rhoM_" + molecules.pairPotentials().idList()[rM],
                 runTime.timeName(),
                 mesh,
                 IOobject::NO_READ,
@@ -144,13 +144,13 @@ totalRhoM.correctBoundaryConditions();
 
 PtrList<volVectorField> allSpeciesVelocity
 (
-    molecules.nIds()
+    molecules.pairPotentials().nIds()
 );
 
 forAll (allSpeciesVelocity, v)
 {
     Info << "    Creating velocity field for "
-        << molecules.idList()[v] << endl;
+        << molecules.pairPotentials().idList()[v] << endl;
 
     allSpeciesVelocity.set
     (
@@ -159,7 +159,7 @@ forAll (allSpeciesVelocity, v)
         (
             IOobject
             (
-                "velocity_" + molecules.idList()[v],
+                "velocity_" + molecules.pairPotentials().idList()[v],
                 runTime.timeName(),
                 mesh,
                 IOobject::NO_READ,
@@ -177,22 +177,40 @@ forAll (allSpeciesVelocity, v)
 
 Info << "    Creating total velocity field" << endl;
 
+// volVectorField totalVelocity
+// (
+//     IOobject
+//     (
+//         "velocity_total",
+//         runTime.timeName(),
+//         mesh,
+//         IOobject::NO_READ,
+//         IOobject::AUTO_WRITE
+//     ),
+//     mesh,
+//     dimVelocity,
+//     "zeroGradient"
+// );
+// totalVelocity.internalField() = vectorField (mesh.nCells(), vector::zero);
+// totalVelocity.correctBoundaryConditions();
+
+
 volVectorField totalVelocity
+
 (
     IOobject
     (
-        "velocity_total",
-        runTime.timeName(),
-        mesh,
-        IOobject::NO_READ,
-        IOobject::AUTO_WRITE
+
+    "velocity_total",
+    runTime.timeName(),
+    mesh,
+    IOobject::NO_READ,
+    IOobject::AUTO_WRITE
+
     ),
     mesh,
-    dimVelocity,
-    "zeroGradient"
+    dimensionedVector("zero", dimVelocity, vector::zero)
 );
-totalVelocity.internalField() = vectorField (mesh.nCells(), vector::zero);
-totalVelocity.correctBoundaryConditions();
 
 /*---------------------------------------------------------------------------*\
     Kinetic temperature
@@ -200,13 +218,13 @@ totalVelocity.correctBoundaryConditions();
 
 PtrList<volScalarField> allSpeciesTemperature
 (
-    molecules.nIds()
+    molecules.pairPotentials().nIds()
 );
 
 forAll (allSpeciesTemperature, t)
 {
     Info << "    Creating temperature field for "
-        << molecules.idList()[t] << endl;
+        << molecules.pairPotentials().idList()[t] << endl;
 
     allSpeciesTemperature.set
     (
@@ -215,7 +233,7 @@ forAll (allSpeciesTemperature, t)
         (
             IOobject
             (
-                "temperature_" + molecules.idList()[t],
+                "temperature_" + molecules.pairPotentials().idList()[t],
                 runTime.timeName(),
                 mesh,
                 IOobject::NO_READ,
@@ -256,13 +274,13 @@ totalTemperature.correctBoundaryConditions();
 
 PtrList<volScalarField> allSpeciesMeanKE
 (
-    molecules.nIds()
+    molecules.pairPotentials().nIds()
 );
 
 forAll (allSpeciesMeanKE, mKE)
 {
     Info << "    Creating mean kinetic energy field for "
-        << molecules.idList()[mKE] << endl;
+        << molecules.pairPotentials().idList()[mKE] << endl;
 
     allSpeciesMeanKE.set
     (
@@ -271,7 +289,7 @@ forAll (allSpeciesMeanKE, mKE)
         (
             IOobject
             (
-                "meanKE_" + molecules.idList()[mKE],
+                "meanKE_" + molecules.pairPotentials().idList()[mKE],
                 runTime.timeName(),
                 mesh,
                 IOobject::NO_READ,
diff --git a/src/lagrangian/molecule/mdTools/createRefUnits.H b/src/lagrangian/molecularDynamics/molecule/mdTools/createRefUnits.H
similarity index 100%
rename from src/lagrangian/molecule/mdTools/createRefUnits.H
rename to src/lagrangian/molecularDynamics/molecule/mdTools/createRefUnits.H
diff --git a/src/lagrangian/molecule/mdTools/md.H b/src/lagrangian/molecularDynamics/molecule/mdTools/md.H
old mode 100755
new mode 100644
similarity index 100%
rename from src/lagrangian/molecule/mdTools/md.H
rename to src/lagrangian/molecularDynamics/molecule/mdTools/md.H
diff --git a/src/lagrangian/molecule/mdTools/meanMomentumEnergyAndNMols.H b/src/lagrangian/molecularDynamics/molecule/mdTools/meanMomentumEnergyAndNMols.H
old mode 100755
new mode 100644
similarity index 100%
rename from src/lagrangian/molecule/mdTools/meanMomentumEnergyAndNMols.H
rename to src/lagrangian/molecularDynamics/molecule/mdTools/meanMomentumEnergyAndNMols.H
diff --git a/src/lagrangian/molecule/mdTools/resetMDFields.H b/src/lagrangian/molecularDynamics/molecule/mdTools/resetMDFields.H
old mode 100755
new mode 100644
similarity index 72%
rename from src/lagrangian/molecule/mdTools/resetMDFields.H
rename to src/lagrangian/molecularDynamics/molecule/mdTools/resetMDFields.H
index e5fdbbd8a4..337647ec02
--- a/src/lagrangian/molecule/mdTools/resetMDFields.H
+++ b/src/lagrangian/molecularDynamics/molecule/mdTools/resetMDFields.H
@@ -2,25 +2,25 @@ if (runTime.outputTime())
 {
     allSpeciesN_RU = List< scalarField >
     (
-        molecules.nIds(),
+        molecules.pairPotentials().nIds(),
         scalarField (mesh.nCells(), 0.0)
     );
 
     allSpeciesM_RU = List< scalarField >
     (
-        molecules.nIds(),
+        molecules.pairPotentials().nIds(),
         scalarField (mesh.nCells(), 0.0)
     );
 
     allSpeciesVelocitySum_RU = List< vectorField >
     (
-        molecules.nIds(),
+        molecules.pairPotentials().nIds(),
         vectorField (mesh.nCells(), vector::zero)
     );
 
     allSpeciesVelocityMagSquaredSum_RU = List< scalarField >
     (
-        molecules.nIds(),
+        molecules.pairPotentials().nIds(),
         scalarField (mesh.nCells(), 0.0)
     );
 }
diff --git a/src/lagrangian/molecule/mdTools/temperatureAndPressure.H b/src/lagrangian/molecularDynamics/molecule/mdTools/temperatureAndPressure.H
old mode 100755
new mode 100644
similarity index 97%
rename from src/lagrangian/molecule/mdTools/temperatureAndPressure.H
rename to src/lagrangian/molecularDynamics/molecule/mdTools/temperatureAndPressure.H
index 0563700cb7..0ae8b5d1ea
--- a/src/lagrangian/molecule/mdTools/temperatureAndPressure.H
+++ b/src/lagrangian/molecularDynamics/molecule/mdTools/temperatureAndPressure.H
@@ -86,6 +86,8 @@ if (runTime.outputTime())
                 << " m/s" << nl
             << "Average temperature = "
                 << averageTemperature << " K" << nl
+            << "accumulatedTotalrDotfSum = "
+                << accumulatedTotalrDotfSum << nl
             << "Average pressure = "
                 << averagePressure << " N/m^2" << nl
             << "----------------------------------------" << endl;
diff --git a/src/lagrangian/molecule/mdTools/temperatureAndPressureVariables.H b/src/lagrangian/molecularDynamics/molecule/mdTools/temperatureAndPressureVariables.H
old mode 100755
new mode 100644
similarity index 100%
rename from src/lagrangian/molecule/mdTools/temperatureAndPressureVariables.H
rename to src/lagrangian/molecularDynamics/molecule/mdTools/temperatureAndPressureVariables.H
diff --git a/src/lagrangian/molecule/mdTools/temperatureEquilibration.H b/src/lagrangian/molecularDynamics/molecule/mdTools/temperatureEquilibration.H
old mode 100755
new mode 100644
similarity index 100%
rename from src/lagrangian/molecule/mdTools/temperatureEquilibration.H
rename to src/lagrangian/molecularDynamics/molecule/mdTools/temperatureEquilibration.H
diff --git a/src/lagrangian/molecule/molecule/molecule.C b/src/lagrangian/molecularDynamics/molecule/molecule/molecule.C
old mode 100755
new mode 100644
similarity index 99%
rename from src/lagrangian/molecule/molecule/molecule.C
rename to src/lagrangian/molecularDynamics/molecule/molecule/molecule.C
index 0a46a0ca2c..0bf2c95b67
--- a/src/lagrangian/molecule/molecule/molecule.C
+++ b/src/lagrangian/molecularDynamics/molecule/molecule/molecule.C
@@ -54,7 +54,7 @@ bool molecule::move(molecule::trackData& td)
                 U_ += 0.5*deltaT*A_;
             }
 
-            while (td.keepParticle && !td.switchProcessor && tEnd > SMALL)
+            while (td.keepParticle && !td.switchProcessor && tEnd > (SMALL*SMALL))
             {
                 // set the lagrangian time-step
                 scalar dt = min(dtMax, tEnd);
@@ -178,6 +178,7 @@ void molecule::hitWallPatch
         {
             U_ -= 2*Un*nw;
         }
+
 //     }
 
 }
diff --git a/src/lagrangian/molecule/molecule/molecule.H b/src/lagrangian/molecularDynamics/molecule/molecule/molecule.H
old mode 100755
new mode 100644
similarity index 99%
rename from src/lagrangian/molecule/molecule/molecule.H
rename to src/lagrangian/molecularDynamics/molecule/molecule/molecule.H
index a3e2099589..cbc0a7a134
--- a/src/lagrangian/molecule/molecule/molecule.H
+++ b/src/lagrangian/molecularDynamics/molecule/molecule/molecule.H
@@ -23,10 +23,9 @@ License
     Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
 
 Class
-    Foam::molecule
+    molecule
 
 Description
-    Foam::molecule
 
 SourceFiles
     moleculeI.H
@@ -192,6 +191,7 @@ public:
 
             //- Return tetherPosition
             inline const vector& tetherPosition() const;
+            inline vector& tetherPosition();
 
 
         //- Tracking
diff --git a/src/lagrangian/molecule/molecule/moleculeI.H b/src/lagrangian/molecularDynamics/molecule/molecule/moleculeI.H
old mode 100755
new mode 100644
similarity index 74%
rename from src/lagrangian/molecule/molecule/moleculeI.H
rename to src/lagrangian/molecularDynamics/molecule/molecule/moleculeI.H
index bfbda044b1..c9f1b9eb73
--- a/src/lagrangian/molecule/molecule/moleculeI.H
+++ b/src/lagrangian/molecularDynamics/molecule/molecule/moleculeI.H
@@ -24,9 +24,12 @@ License
 
 \*---------------------------------------------------------------------------*/
 
+namespace Foam
+{
+
 // * * * * * * * * * * * * * * * * Constructors  * * * * * * * * * * * * * * //
 
-inline Foam::molecule::molecule
+inline molecule::molecule
 (
     const Cloud<molecule>& c,
     const vector& position,
@@ -51,7 +54,7 @@ inline Foam::molecule::molecule
 {}
 
 
-inline Foam::molecule::trackData::trackData
+inline molecule::trackData::trackData
 (
     moleculeCloud& molCloud,
     label part
@@ -65,88 +68,98 @@ inline Foam::molecule::trackData::trackData
 
 // * * * * * * * * * * * * * * * Member Functions  * * * * * * * * * * * * * //
 
-inline Foam::label Foam::molecule::id() const
+inline label molecule::id() const
 {
     return id_;
 }
 
 
-inline Foam::scalar Foam::molecule::mass() const
+inline scalar molecule::mass() const
 {
     return mass_;
 }
 
 
-inline const Foam::vector& Foam::molecule::U() const
+inline const vector& molecule::U() const
 {
     return U_;
 }
 
 
-inline Foam::vector& Foam::molecule::U()
+inline vector& molecule::U()
 {
     return U_;
 }
 
 
-inline const Foam::vector& Foam::molecule::A() const
+inline const vector& molecule::A() const
 {
     return A_;
 }
 
 
-inline Foam::vector& Foam::molecule::A()
+inline vector& molecule::A()
 {
     return A_;
 }
 
 
-inline Foam::scalar Foam::molecule::potentialEnergy() const
+inline scalar molecule::potentialEnergy() const
 {
     return potentialEnergy_;
 }
 
 
-inline Foam::scalar& Foam::molecule::potentialEnergy()
+inline scalar& molecule::potentialEnergy()
 {
     return potentialEnergy_;
 }
 
 
-inline const Foam::tensor& Foam::molecule::rf() const
+inline const tensor& molecule::rf() const
 {
     return rf_;
 }
 
 
-inline Foam::tensor& Foam::molecule::rf()
+inline tensor& molecule::rf()
 {
     return rf_;
 }
 
 
-inline Foam::label Foam::molecule::tethered() const
+inline label molecule::tethered() const
 {
     return tethered_;
 }
 
 
-inline const Foam::vector& Foam::molecule::tetherPosition() const
+inline const vector& molecule::tetherPosition() const
 {
     return tetherPosition_;
 }
 
 
-inline Foam::moleculeCloud& Foam::molecule::trackData::molCloud()
+inline vector& molecule::tetherPosition()
+{
+    return tetherPosition_;
+}
+
+
+inline moleculeCloud& molecule::trackData::molCloud()
 {
     return molCloud_;
 }
 
 
-inline Foam::label Foam::molecule::trackData::part() const
+inline label molecule::trackData::part() const
 {
     return part_;
 }
 
 
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+} // End namespace Foam
+
 // ************************************************************************* //
diff --git a/src/lagrangian/molecule/molecule/moleculeIO.C b/src/lagrangian/molecularDynamics/molecule/molecule/moleculeIO.C
old mode 100755
new mode 100644
similarity index 100%
rename from src/lagrangian/molecule/molecule/moleculeIO.C
rename to src/lagrangian/molecularDynamics/molecule/molecule/moleculeIO.C
diff --git a/src/lagrangian/molecule/moleculeCloud/moleculeCloud.C b/src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloud.C
old mode 100755
new mode 100644
similarity index 100%
rename from src/lagrangian/molecule/moleculeCloud/moleculeCloud.C
rename to src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloud.C
diff --git a/src/lagrangian/molecule/moleculeCloud/moleculeCloud.H b/src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloud.H
old mode 100755
new mode 100644
similarity index 94%
rename from src/lagrangian/molecule/moleculeCloud/moleculeCloud.H
rename to src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloud.H
index 37d8cf22bb..600c874346
--- a/src/lagrangian/molecule/moleculeCloud/moleculeCloud.H
+++ b/src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloud.H
@@ -97,18 +97,6 @@ private:
 
             scalar potentialEnergyLimit_;
 
-            scalar guardRadius_;
-
-            scalar rCutMax_;
-
-            //- storing rCutMaxSqr in class as well as rCutMax to
-            //- avoid needing to calculate it often.
-            //- Possibilty of inconsistency if tinkered with.
-
-            scalar rCutMaxSqr_;
-
-            List<word> idList_;
-
             labelList removalOrder_;
 
             labelListList directInteractionList_;
@@ -189,20 +177,10 @@ public:
 
             inline scalar potentialEnergyLimit() const;
 
-            inline scalar guardRadius() const;
-
-            inline scalar rCutMax() const;
-
-            inline scalar rCutMaxSqr() const;
-
-            inline const List<word>& idList() const;
-
             inline const labelList& removalOrder() const;
 
             inline label nPairPotentials() const;
 
-            inline label nIds() const;
-
             inline const labelListList& directInteractionList() const;
 
             inline const referredCellList& referredInteractionList() const;
diff --git a/src/lagrangian/molecule/moleculeCloud/moleculeCloudApplyConstraintsAndThermostats.C b/src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloudApplyConstraintsAndThermostats.C
old mode 100755
new mode 100644
similarity index 100%
rename from src/lagrangian/molecule/moleculeCloud/moleculeCloudApplyConstraintsAndThermostats.C
rename to src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloudApplyConstraintsAndThermostats.C
diff --git a/src/lagrangian/molecule/moleculeCloud/moleculeCloudBuildCellInteractionLists.C b/src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloudBuildCellInteractionLists.C
old mode 100755
new mode 100644
similarity index 100%
rename from src/lagrangian/molecule/moleculeCloud/moleculeCloudBuildCellInteractionLists.C
rename to src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloudBuildCellInteractionLists.C
diff --git a/src/lagrangian/molecule/moleculeCloud/moleculeCloudBuildCellOccupancy.C b/src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloudBuildCellOccupancy.C
old mode 100755
new mode 100644
similarity index 89%
rename from src/lagrangian/molecule/moleculeCloud/moleculeCloudBuildCellOccupancy.C
rename to src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloudBuildCellOccupancy.C
index f02be61f7e..89ad6cd3e6
--- a/src/lagrangian/molecule/moleculeCloud/moleculeCloudBuildCellOccupancy.C
+++ b/src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloudBuildCellOccupancy.C
@@ -22,13 +22,21 @@ License
     along with OpenFOAM; if not, write to the Free Software Foundation,
     Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
 
+Class
+    moleculeCloud
+
+Description
+
 \*----------------------------------------------------------------------------*/
 
 #include "moleculeCloud.H"
 
 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
-void Foam::moleculeCloud::buildCellOccupancy()
+namespace Foam
+{
+
+void moleculeCloud::buildCellOccupancy()
 {
     forAll(cellOccupancy_, cO)
     {
@@ -37,7 +45,12 @@ void Foam::moleculeCloud::buildCellOccupancy()
 
     iterator mol(this->begin());
 
-    for (mol = this->begin(); mol != this->end(); ++mol)
+    for
+    (
+        mol = this->begin();
+        mol != this->end();
+        ++mol
+    )
     {
         cellOccupancy_[mol().cell()].append(&mol());
     }
@@ -50,5 +63,6 @@ void Foam::moleculeCloud::buildCellOccupancy()
     referredInteractionList_.referMolecules();
 }
 
+} // End namespace Foam
 
 // ************************************************************************* //
diff --git a/src/lagrangian/molecule/moleculeCloud/moleculeCloudBuildCellReferralLists.C b/src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloudBuildCellReferralLists.C
old mode 100755
new mode 100644
similarity index 100%
rename from src/lagrangian/molecule/moleculeCloud/moleculeCloudBuildCellReferralLists.C
rename to src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloudBuildCellReferralLists.C
diff --git a/src/lagrangian/molecule/moleculeCloud/moleculeCloudBuildDirectInteractionList.H b/src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloudBuildDirectInteractionList.H
old mode 100755
new mode 100644
similarity index 100%
rename from src/lagrangian/molecule/moleculeCloud/moleculeCloudBuildDirectInteractionList.H
rename to src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloudBuildDirectInteractionList.H
diff --git a/src/lagrangian/molecule/moleculeCloud/moleculeCloudBuildReferredInteractionList.H b/src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloudBuildReferredInteractionList.H
old mode 100755
new mode 100644
similarity index 100%
rename from src/lagrangian/molecule/moleculeCloud/moleculeCloudBuildReferredInteractionList.H
rename to src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloudBuildReferredInteractionList.H
diff --git a/src/lagrangian/molecule/moleculeCloud/moleculeCloudCalculateExternalForce.C b/src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloudCalculateExternalForce.C
old mode 100755
new mode 100644
similarity index 100%
rename from src/lagrangian/molecule/moleculeCloud/moleculeCloudCalculateExternalForce.C
rename to src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloudCalculateExternalForce.C
diff --git a/src/lagrangian/molecule/moleculeCloud/moleculeCloudCalculateForce.C b/src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloudCalculateForce.C
old mode 100755
new mode 100644
similarity index 100%
rename from src/lagrangian/molecule/moleculeCloud/moleculeCloudCalculateForce.C
rename to src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloudCalculateForce.C
diff --git a/src/lagrangian/molecule/moleculeCloud/moleculeCloudCalculatePairForce.C b/src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloudCalculatePairForce.C
old mode 100755
new mode 100644
similarity index 100%
rename from src/lagrangian/molecule/moleculeCloud/moleculeCloudCalculatePairForce.C
rename to src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloudCalculatePairForce.C
diff --git a/src/lagrangian/molecule/moleculeCloud/moleculeCloudCalculatePairForceRealCells.H b/src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloudCalculatePairForceRealCells.H
old mode 100755
new mode 100644
similarity index 100%
rename from src/lagrangian/molecule/moleculeCloud/moleculeCloudCalculatePairForceRealCells.H
rename to src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloudCalculatePairForceRealCells.H
diff --git a/src/lagrangian/molecule/moleculeCloud/moleculeCloudCalculatePairForceRealCellsCalculationStep.H b/src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloudCalculatePairForceRealCellsCalculationStep.H
old mode 100755
new mode 100644
similarity index 92%
rename from src/lagrangian/molecule/moleculeCloud/moleculeCloudCalculatePairForceRealCellsCalculationStep.H
rename to src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloudCalculatePairForceRealCellsCalculationStep.H
index 49e1e2d781..9f2080d02e
--- a/src/lagrangian/molecule/moleculeCloud/moleculeCloudCalculatePairForceRealCellsCalculationStep.H
+++ b/src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloudCalculatePairForceRealCellsCalculationStep.H
@@ -6,7 +6,7 @@ rIJ = molI->position() - molJ->position();
 
 rIJMagSq = magSqr(rIJ);
 
-if (pairPotentials_.rCutSqr(idI, idJ, rIJMagSq))
+if(pairPotentials_.rCutSqr(idI, idJ, rIJMagSq))
 {
     rIJMag = mag(rIJ);
 
diff --git a/src/lagrangian/molecule/moleculeCloud/moleculeCloudCalculatePairForceReferredCells.H b/src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloudCalculatePairForceReferredCells.H
old mode 100755
new mode 100644
similarity index 100%
rename from src/lagrangian/molecule/moleculeCloud/moleculeCloudCalculatePairForceReferredCells.H
rename to src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloudCalculatePairForceReferredCells.H
diff --git a/src/lagrangian/molecule/moleculeCloud/moleculeCloudCalculateTetherForce.C b/src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloudCalculateTetherForce.C
old mode 100755
new mode 100644
similarity index 100%
rename from src/lagrangian/molecule/moleculeCloud/moleculeCloudCalculateTetherForce.C
rename to src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloudCalculateTetherForce.C
diff --git a/src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloudCodeSnippets.H b/src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloudCodeSnippets.H
new file mode 100644
index 0000000000..a66b409b45
--- /dev/null
+++ b/src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloudCodeSnippets.H
@@ -0,0 +1,193 @@
+// Parallel coding to access boundary information to build up interaction cell info
+
+// See preservePatchTypes for how to read the boundary file.
+
+// Read faceProcAddressing, as per reconstructPar, to get hold of the original,
+// undecomposed face label from a face on a processor mesh.  See email from Mattijs:
+
+// > Is it a case of reading the faceProcAddressing file, in the same way as
+// > something like reconstructPar?
+//         Correct.
+// 
+//         Note that faceProcAddressing is a bit weird since it also includes which side 
+// of an internal face we have. If I remember correctly:
+// 
+//         faceI == 0 illegal
+//         faceI > 0 we have the original owner of  faceI-1 i.e. we have the face in the 
+//         original order.
+//         faceI < 0 we have the original neighbour of -faceI-1 so the face is flipped.
+
+// Use the same functionality as
+// label polyBoundaryMesh::whichPatch(const label faceIndex) const
+// To determine which patch a face was on originally.
+
+if (Pstream::parRun())
+{
+//     if (Pstream::myProcNo() == Pstream::masterNo())
+// //     {
+//         dictionary patchDictionary;
+// 
+//         DynamicList<word> patchNames;
+// 
+//         {
+//             IOobject undecomposedBoundaryHeader
+//             (
+//                 "undecomposedBoundary",
+//                 mesh_.time().constant(),
+//                 polyMesh::meshSubDir,
+//                 mesh_,
+//                 IOobject::MUST_READ,
+//                 IOobject::NO_WRITE,
+//                 false
+//             );
+// 
+//             if (undecomposedBoundaryHeader.headerOk())
+//             {
+//                 polyBoundaryMeshEntries undecomposedPatchEntries
+//                 (
+//                     undecomposedBoundaryHeader
+//                 );
+// 
+//                 forAll(undecomposedPatchEntries, patchi)
+//                 {
+//                     patchNames.append
+//                     (
+//                         undecomposedPatchEntries[patchi].keyword()
+//                     );
+// 
+//                     patchDictionary.add
+//                     (
+//                         undecomposedPatchEntries[patchi]
+//                     );
+//                 }
+//             }
+//             else
+//             {
+//                 FatalErrorIn
+//                 (
+//                     "moleculeCloudBuildCellInteractionLists.C\n"
+//                 )
+//                     << "undecomposedBoundary file not found in "
+//                         "constant/polyMesh"
+//                     << abort(FatalError);
+//             }
+//         }
+// 
+//         labelIOList faceProcAddressing
+//         (
+//             IOobject
+//             (
+//                 "faceProcAddressing",
+//                 mesh_.time().constant(),
+//                 polyMesh::meshSubDir,
+//                 mesh_,
+//                 IOobject::MUST_READ,
+//                 IOobject::NO_WRITE,
+//                 false
+//             )
+//         );
+
+        labelList procPatches(mesh_.globalData().processorPatches());
+
+        forAll(procPatches,pP)
+        {
+            const processorPolyPatch& patch =
+                refCast<const processorPolyPatch>
+            (
+                mesh_.boundaryMesh()[procPatches[pP]]
+            );
+// 
+//             Pout << nl << "name: " << patch.name() << nl
+//                     << "start: " << patch.start() << nl
+//                     << "size: " << patch.size() << nl
+//                     << "separated: " << Switch(patch.separated()) << nl
+//                     << "parallel: " << Switch(patch.parallel()) << nl << endl;
+// 
+//             forAll (patch, pI)
+//             {
+//                 label decomposedMeshFace = patch.start() + pI;
+// 
+//                 label faceProcAdd = faceProcAddressing[decomposedMeshFace];
+// 
+//                 label globalFace = abs(faceProcAdd)-1;
+// 
+//                 Pout << "Patch index: " << pI
+//                         << " " << patch[pI]
+//                         << " Mesh index: " << decomposedMeshFace
+//                         << " faceProcAdd: " << faceProcAdd
+//                         << " globalFace:" << globalFace;
+// 
+//                 label minStart = -1;
+// 
+//                 // Scanning the dictionary each time is a very ugly way of
+//                 // finding out what patch a face originally belonged to, but
+//                 // it proves the concept.  Read the patch info a container
+//                 // class and have a neat way of tell which patch a face is from
+//                 // embedded in that.  Split each processor face down into
+//                 // separate lists for each different originiating patch.
+// 
+//                 forAll(patchNames, patchi)
+//                 {
+//                     if (patchDictionary.found(patchNames[patchi]))
+//                     {
+//                         const dictionary& patchDict = 
+//                                 patchDictionary.subDict(patchNames[patchi]);
+// 
+//                         word faceName(patchNames[patchi]);
+//                         label startFace(readLabel(patchDict.lookup("startFace")));
+//                         label nFaces(readLabel(patchDict.lookup("nFaces")));
+// 
+//                         if
+//                         (
+//                             minStart < 0
+//                          || startFace < minStart
+//                         )
+//                         {
+//                             minStart = startFace;
+//                         }
+// 
+//                         if
+//                         (
+//                             globalFace >= startFace
+//                          && globalFace < startFace + nFaces
+//                         )
+//                         {
+//                             Pout << " original patch: " << faceName  << endl;
+//                         }
+//                     }
+//                 }
+// 
+//                 if (globalFace < minStart)
+//                 {
+//                     Pout << " originally an internal face" << endl;
+//                 }
+//             }
+// 
+            if (patch.separated())
+            {
+                 Pout << patch.separation();
+            }
+
+            if (!patch.parallel())
+            {
+                 Pout << patch.forwardT();
+            }
+        }
+//     }
+//     else
+//     {
+// 
+//     }
+
+        // Get coords of my shared points
+//     vector sharedPoints(vector::one*(Pstream::myProcNo()+1));
+//     label testRedLab(Pstream::myProcNo()+1);
+    
+//     Pout << testRedLab << endl;
+
+        // Append from all processors
+//     combineReduce(sharedPoints, plusEqOp<vector>());
+//     reduce(testRedLab, plusOp<label>());
+
+//     Pout << testRedLab << endl;
+}
diff --git a/src/lagrangian/molecule/moleculeCloud/moleculeCloudI.H b/src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloudI.H
old mode 100755
new mode 100644
similarity index 90%
rename from src/lagrangian/molecule/moleculeCloud/moleculeCloudI.H
rename to src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloudI.H
index 330fa031de..215f59d309
--- a/src/lagrangian/molecule/moleculeCloud/moleculeCloudI.H
+++ b/src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloudI.H
@@ -50,42 +50,12 @@ inline scalar moleculeCloud::potentialEnergyLimit() const
 }
 
 
-inline scalar moleculeCloud::guardRadius() const
-{
-    return guardRadius_;
-}
-
-
-inline scalar moleculeCloud::rCutMax() const
-{
-    return rCutMax_;
-}
-
-
-inline scalar moleculeCloud::rCutMaxSqr() const
-{
-    return rCutMaxSqr_;
-}
-
-
-inline const List<word>& moleculeCloud::idList() const
-{
-    return idList_;
-}
-
-
 inline label moleculeCloud::nPairPotentials() const
 {
     return pairPotentials_.size();
 }
 
 
-inline label moleculeCloud::nIds() const
-{
-    return idList_.size();
-}
-
-
 inline const labelList& moleculeCloud::removalOrder() const
 {
     return removalOrder_;
diff --git a/src/lagrangian/molecule/moleculeCloud/moleculeCloudIntegrateEquationsOfMotion.C b/src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloudIntegrateEquationsOfMotion.C
old mode 100755
new mode 100644
similarity index 100%
rename from src/lagrangian/molecule/moleculeCloud/moleculeCloudIntegrateEquationsOfMotion.C
rename to src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloudIntegrateEquationsOfMotion.C
diff --git a/src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloudReadMDParameters.H b/src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloudReadMDParameters.H
new file mode 100644
index 0000000000..b74f9c5abf
--- /dev/null
+++ b/src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloudReadMDParameters.H
@@ -0,0 +1,177 @@
+Info<< nl <<  "Reading MD solution parameters:" << endl;
+
+IOdictionary mdSolution
+(
+    IOobject
+    (
+        "mdSolution",
+        mesh_.time().system(),
+        mesh_,
+        IOobject::MUST_READ,
+        IOobject::NO_WRITE
+    )
+);
+
+integrationMethod_ = integrationMethodNames_.read
+(
+    mdSolution.lookup("integrationMethod")
+);
+
+potentialEnergyLimit_ = readScalar
+(
+    mdSolution.lookup("potentialEnergyLimit")
+);
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+IOdictionary potentialDict
+(
+    IOobject
+    (
+        "potentialDict",
+        mesh_.time().system(),
+        mesh_,
+        IOobject::MUST_READ,
+        IOobject::NO_WRITE
+    )
+);
+
+IOdictionary idListDict
+(
+    IOobject
+    (
+        "idList",
+        mesh_.time().constant(),
+        mesh_,
+        IOobject::MUST_READ,
+        IOobject::NO_WRITE
+    )
+);
+
+// ****************************************************************************
+// Pair potentials
+
+if (!potentialDict.found("pair"))
+{
+    FatalErrorIn("moleculeCloudReadPotentials.H") << nl
+            << "pair potential specification subDict not found"
+            << abort(FatalError);
+}
+
+const dictionary& pairDict = potentialDict.subDict("pair");
+
+pairPotentials_.buildPotentials(idListDict, pairDict, mesh_);
+
+if (potentialDict.found("removalOrder"))
+{
+    List<word> remOrd = potentialDict.lookup("removalOrder");
+
+    removalOrder_.setSize(remOrd.size());
+
+    forAll(removalOrder_, rO)
+    {
+        removalOrder_[rO] = findIndex(pairPotentials_.idList(), remOrd[rO]);
+    }
+}
+
+// ****************************************************************************
+// Tether potentials
+
+iterator mol(this->begin());
+
+DynamicList<label> tetherIds;
+
+for
+(
+ mol = this->begin();
+ mol != this->end();
+ ++mol
+)
+{
+    if (mol().tethered())
+    {
+        if (findIndex(tetherIds, mol().id()) == -1)
+        {
+            tetherIds.append
+            (
+                mol().id()
+            );
+        }
+    }
+}
+
+if (Pstream::parRun())
+{
+    List< labelList > allTetherIds(Pstream::nProcs());
+
+    allTetherIds[Pstream::myProcNo()] = tetherIds;
+
+    Pstream::gatherList(allTetherIds);
+
+    if (Pstream::master())
+    {
+        DynamicList<label> globalTetherIds;
+
+        forAll(allTetherIds, procN)
+        {
+            const labelList& procNTetherIds = allTetherIds[procN];
+
+            forAll(procNTetherIds, id)
+            {
+                if (findIndex(globalTetherIds, procNTetherIds[id]) == -1)
+                {
+                    globalTetherIds.append
+                    (
+                        procNTetherIds[id]
+                    );
+                }
+            }
+        }
+
+        globalTetherIds.shrink();
+
+        tetherIds = globalTetherIds;
+    }
+
+    Pstream::scatter(tetherIds);
+}
+
+tetherIds.shrink();
+
+if (tetherIds.size())
+{
+    if (!potentialDict.found("tether"))
+    {
+        FatalErrorIn("moleculeCloudReadPotentials.H") << nl
+                << "tether potential specification subDict not found"
+                << abort(FatalError);
+    }
+
+    const dictionary& tetherDict = potentialDict.subDict("tether");
+
+    tetherPotentials_.buildPotentials(idListDict, tetherDict, tetherIds);
+}
+
+// ****************************************************************************
+// External Forces
+
+gravity_ = vector::zero;
+
+if (potentialDict.found("external"))
+{
+
+    Info << nl << "Reading external forces:" << endl;
+
+    const dictionary& externalDict = potentialDict.subDict("external");
+
+    // ************************************************************************
+    // gravity
+
+    if (externalDict.found("gravity"))
+    {
+        gravity_ = externalDict.lookup("gravity");
+    }
+}
+
+Info << nl << tab << "gravity = " << gravity_ << endl;
+
diff --git a/src/lagrangian/molecule/moleculeCloud/moleculeCloudRealCellsInRangeOfSegment.C b/src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloudRealCellsInRangeOfSegment.C
old mode 100755
new mode 100644
similarity index 100%
rename from src/lagrangian/molecule/moleculeCloud/moleculeCloudRealCellsInRangeOfSegment.C
rename to src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloudRealCellsInRangeOfSegment.C
diff --git a/src/lagrangian/molecule/moleculeCloud/moleculeCloudReferredCellsInRangeOfSegment.C b/src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloudReferredCellsInRangeOfSegment.C
old mode 100755
new mode 100644
similarity index 100%
rename from src/lagrangian/molecule/moleculeCloud/moleculeCloudReferredCellsInRangeOfSegment.C
rename to src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloudReferredCellsInRangeOfSegment.C
diff --git a/src/lagrangian/molecule/moleculeCloud/moleculeCloudRemoveHighEnergyOverlaps.C b/src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloudRemoveHighEnergyOverlaps.C
old mode 100755
new mode 100644
similarity index 96%
rename from src/lagrangian/molecule/moleculeCloud/moleculeCloudRemoveHighEnergyOverlaps.C
rename to src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloudRemoveHighEnergyOverlaps.C
index ac4385574f..e12ea9dbce
--- a/src/lagrangian/molecule/moleculeCloud/moleculeCloudRemoveHighEnergyOverlaps.C
+++ b/src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloudRemoveHighEnergyOverlaps.C
@@ -34,7 +34,7 @@ void Foam::moleculeCloud::removeHighEnergyOverlaps()
 
     forAll(removalOrder_, rO)
     {
-        Info << " " << idList_[removalOrder_[rO]];
+        Info << " " << pairPotentials_.idList()[removalOrder_[rO]];
     }
 
     Info << nl ;
diff --git a/src/lagrangian/molecule/moleculeCloud/moleculeCloudRemoveHighEnergyOverlapsRealCells.H b/src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloudRemoveHighEnergyOverlapsRealCells.H
old mode 100755
new mode 100644
similarity index 100%
rename from src/lagrangian/molecule/moleculeCloud/moleculeCloudRemoveHighEnergyOverlapsRealCells.H
rename to src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloudRemoveHighEnergyOverlapsRealCells.H
diff --git a/src/lagrangian/molecule/moleculeCloud/moleculeCloudRemoveHighEnergyOverlapsRealCellsCalculationStep.H b/src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloudRemoveHighEnergyOverlapsRealCellsCalculationStep.H
old mode 100755
new mode 100644
similarity index 87%
rename from src/lagrangian/molecule/moleculeCloud/moleculeCloudRemoveHighEnergyOverlapsRealCellsCalculationStep.H
rename to src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloudRemoveHighEnergyOverlapsRealCellsCalculationStep.H
index bc36a60095..04f9ffd8ba
--- a/src/lagrangian/molecule/moleculeCloud/moleculeCloudRemoveHighEnergyOverlapsRealCellsCalculationStep.H
+++ b/src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloudRemoveHighEnergyOverlapsRealCellsCalculationStep.H
@@ -12,6 +12,10 @@ if (pairPotentials_.rCutSqr(idI, idJ, rIJMagSq))
 
     bool remove = false;
 
+    // Guard against pairPotentials_.energy being evaluated
+    // if rIJMag < SMALL. A floating point exception will
+    // happen otherwise.
+
     if (rIJMag < SMALL)
     {
         WarningIn("moleculeCloud::removeHighEnergyOverlaps()")
@@ -30,10 +34,14 @@ if (pairPotentials_.rCutSqr(idI, idJ, rIJMagSq))
 
         remove = true;
     }
-
+    
     // Guard against pairPotentials_.energy being evaluated
-    // if rIJMag < SMALL. A floating point exception will
-    // happen otherwise.
+    // if rIJMag < rMin. A tabulation lookup error will occur otherwise.
+
+    if (rIJMag < pairPotentials_.rMin(idI, idJ))
+    {
+        remove = true;
+    }
 
     if (!remove)
     {
@@ -42,6 +50,7 @@ if (pairPotentials_.rCutSqr(idI, idJ, rIJMagSq))
             pairPotentials_.energy(idI, idJ, rIJMag) > potentialEnergyLimit_
         )
         {
+           
             remove = true;
         }
     }
diff --git a/src/lagrangian/molecule/moleculeCloud/moleculeCloudRemoveHighEnergyOverlapsReferredCells.H b/src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloudRemoveHighEnergyOverlapsReferredCells.H
old mode 100755
new mode 100644
similarity index 93%
rename from src/lagrangian/molecule/moleculeCloud/moleculeCloudRemoveHighEnergyOverlapsReferredCells.H
rename to src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloudRemoveHighEnergyOverlapsReferredCells.H
index 5b6b76135f..c0914b1a11
--- a/src/lagrangian/molecule/moleculeCloud/moleculeCloudRemoveHighEnergyOverlapsReferredCells.H
+++ b/src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloudRemoveHighEnergyOverlapsReferredCells.H
@@ -47,6 +47,10 @@
 
                         bool remove = false;
 
+                        // Guard against pairPotentials_.energy being evaluated
+                        // if rKLMag < SMALL. A floating point exception will
+                        // happen otherwise.
+
                         if (rKLMag < SMALL)
                         {
                             WarningIn
@@ -72,8 +76,12 @@
                         }
 
                         // Guard against pairPotentials_.energy being evaluated
-                        // if rKLMag < SMALL. A floating point exception will
-                        // happen otherwise.
+                        // if rIJMag < rMin. A tubulation lookup error will occur otherwise.
+
+                        if (rKLMag < pairPotentials_.rMin(idK, idL))
+                        {
+                            remove = true;
+                        }
 
                         if (!remove)
                         {
diff --git a/src/lagrangian/molecule/moleculeCloud/moleculeCloudTestEdgeEdgeDistance.C b/src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloudTestEdgeEdgeDistance.C
old mode 100755
new mode 100644
similarity index 97%
rename from src/lagrangian/molecule/moleculeCloud/moleculeCloudTestEdgeEdgeDistance.C
rename to src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloudTestEdgeEdgeDistance.C
index 285447974c..1e8fd26630
--- a/src/lagrangian/molecule/moleculeCloud/moleculeCloudTestEdgeEdgeDistance.C
+++ b/src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloudTestEdgeEdgeDistance.C
@@ -75,7 +75,7 @@ bool Foam::moleculeCloud::testEdgeEdgeDistance
          && s <= 1
          && t >= 0
          && t <= 1
-         && magSqr(eIs + a*s - eJs - b*t) <= rCutMaxSqr()
+         && magSqr(eIs + a*s - eJs - b*t) <= pairPotentials_.rCutMaxSqr()
         );
     }
 
diff --git a/src/lagrangian/molecule/moleculeCloud/moleculeCloudTestPointFaceDistance.C b/src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloudTestPointFaceDistance.C
old mode 100755
new mode 100644
similarity index 93%
rename from src/lagrangian/molecule/moleculeCloud/moleculeCloudTestPointFaceDistance.C
rename to src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloudTestPointFaceDistance.C
index e01be86476..03a30873a7
--- a/src/lagrangian/molecule/moleculeCloud/moleculeCloudTestPointFaceDistance.C
+++ b/src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloudTestPointFaceDistance.C
@@ -128,14 +128,14 @@ bool Foam::moleculeCloud::testPointFaceDistance
 
     scalar perpDist((p - faceC) & faceN);
 
-    if (mag(perpDist) > rCutMax())
+    if (mag(perpDist) > pairPotentials_.rCutMax())
     {
         return false;
     }
 
     vector pointOnPlane = (p - faceN * perpDist);
 
-    if (magSqr(faceC - pointOnPlane) < rCutMaxSqr()*1e-8)
+    if (magSqr(faceC - pointOnPlane) < pairPotentials_.rCutMaxSqr()*1e-8)
     {
         // If pointOnPlane is very close to the face centre
         // then defining the local axes will be inaccurate
@@ -143,7 +143,7 @@ bool Foam::moleculeCloud::testPointFaceDistance
         // inside the face, so return true if the points
         // are in range to be safe
 
-        return (magSqr(pointOnPlane - p) <= rCutMaxSqr());
+        return (magSqr(pointOnPlane - p) <= pairPotentials_.rCutMaxSqr());
     }
 
     vector xAxis = (faceC - pointOnPlane)/mag(faceC - pointOnPlane);
@@ -158,7 +158,7 @@ bool Foam::moleculeCloud::testPointFaceDistance
     {
         const vector& V(points[faceToTest[fTT]]);
 
-        if (magSqr(V-p) <= rCutMaxSqr())
+        if (magSqr(V-p) <= pairPotentials_.rCutMaxSqr())
         {
             return true;
         }
@@ -206,7 +206,7 @@ bool Foam::moleculeCloud::testPointFaceDistance
     if (la_valid < 0)
     {
         // perpendicular point inside face, nearest point is pointOnPlane;
-        return (magSqr(pointOnPlane-p) <= rCutMaxSqr());
+        return (magSqr(pointOnPlane-p) <= pairPotentials_.rCutMaxSqr());
     }
     else
     {
@@ -215,7 +215,7 @@ bool Foam::moleculeCloud::testPointFaceDistance
         return
         (
             magSqr(pointOnPlane + la_valid*(faceC - pointOnPlane) - p)
-         <= rCutMaxSqr()
+         <= pairPotentials_.rCutMaxSqr()
         );
     }
 
diff --git a/src/lagrangian/molecule/reducedUnits/reducedUnits.C b/src/lagrangian/molecularDynamics/molecule/reducedUnits/reducedUnits.C
similarity index 100%
rename from src/lagrangian/molecule/reducedUnits/reducedUnits.C
rename to src/lagrangian/molecularDynamics/molecule/reducedUnits/reducedUnits.C
diff --git a/src/lagrangian/molecule/reducedUnits/reducedUnits.H b/src/lagrangian/molecularDynamics/molecule/reducedUnits/reducedUnits.H
similarity index 98%
rename from src/lagrangian/molecule/reducedUnits/reducedUnits.H
rename to src/lagrangian/molecularDynamics/molecule/reducedUnits/reducedUnits.H
index 7adc1051fd..6a1379ecac 100644
--- a/src/lagrangian/molecule/reducedUnits/reducedUnits.H
+++ b/src/lagrangian/molecularDynamics/molecule/reducedUnits/reducedUnits.H
@@ -105,7 +105,7 @@ public:
 
         //- Construct with no argument, uses default values:
         // length  = 1nm
-        // mass = 1.660538782e−27kg (unified atomic mass unit)
+        // mass = 1.660538782e−27kg (unified atomic mass unit)
         // temperature = 1K (therefore, energy = 1*kb)
         reducedUnits();
 
diff --git a/src/lagrangian/molecule/reducedUnits/reducedUnitsI.H b/src/lagrangian/molecularDynamics/molecule/reducedUnits/reducedUnitsI.H
similarity index 100%
rename from src/lagrangian/molecule/reducedUnits/reducedUnitsI.H
rename to src/lagrangian/molecularDynamics/molecule/reducedUnits/reducedUnitsI.H
diff --git a/src/lagrangian/molecule/reducedUnits/reducedUnitsIO.C b/src/lagrangian/molecularDynamics/molecule/reducedUnits/reducedUnitsIO.C
similarity index 100%
rename from src/lagrangian/molecule/reducedUnits/reducedUnitsIO.C
rename to src/lagrangian/molecularDynamics/molecule/reducedUnits/reducedUnitsIO.C
diff --git a/src/lagrangian/molecule/referralLists/receivingReferralList.C b/src/lagrangian/molecularDynamics/molecule/referralLists/receivingReferralList.C
old mode 100755
new mode 100644
similarity index 100%
rename from src/lagrangian/molecule/referralLists/receivingReferralList.C
rename to src/lagrangian/molecularDynamics/molecule/referralLists/receivingReferralList.C
diff --git a/src/lagrangian/molecule/referralLists/receivingReferralList.H b/src/lagrangian/molecularDynamics/molecule/referralLists/receivingReferralList.H
old mode 100755
new mode 100644
similarity index 100%
rename from src/lagrangian/molecule/referralLists/receivingReferralList.H
rename to src/lagrangian/molecularDynamics/molecule/referralLists/receivingReferralList.H
diff --git a/src/lagrangian/molecule/referralLists/receivingReferralListI.H b/src/lagrangian/molecularDynamics/molecule/referralLists/receivingReferralListI.H
old mode 100755
new mode 100644
similarity index 100%
rename from src/lagrangian/molecule/referralLists/receivingReferralListI.H
rename to src/lagrangian/molecularDynamics/molecule/referralLists/receivingReferralListI.H
diff --git a/src/lagrangian/molecule/referralLists/sendingReferralList.C b/src/lagrangian/molecularDynamics/molecule/referralLists/sendingReferralList.C
old mode 100755
new mode 100644
similarity index 100%
rename from src/lagrangian/molecule/referralLists/sendingReferralList.C
rename to src/lagrangian/molecularDynamics/molecule/referralLists/sendingReferralList.C
diff --git a/src/lagrangian/molecule/referralLists/sendingReferralList.H b/src/lagrangian/molecularDynamics/molecule/referralLists/sendingReferralList.H
old mode 100755
new mode 100644
similarity index 100%
rename from src/lagrangian/molecule/referralLists/sendingReferralList.H
rename to src/lagrangian/molecularDynamics/molecule/referralLists/sendingReferralList.H
diff --git a/src/lagrangian/molecule/referralLists/sendingReferralListI.H b/src/lagrangian/molecularDynamics/molecule/referralLists/sendingReferralListI.H
old mode 100755
new mode 100644
similarity index 100%
rename from src/lagrangian/molecule/referralLists/sendingReferralListI.H
rename to src/lagrangian/molecularDynamics/molecule/referralLists/sendingReferralListI.H
diff --git a/src/lagrangian/molecule/referredCell/referredCell.C b/src/lagrangian/molecularDynamics/molecule/referredCell/referredCell.C
old mode 100755
new mode 100644
similarity index 100%
rename from src/lagrangian/molecule/referredCell/referredCell.C
rename to src/lagrangian/molecularDynamics/molecule/referredCell/referredCell.C
diff --git a/src/lagrangian/molecule/referredCell/referredCell.H b/src/lagrangian/molecularDynamics/molecule/referredCell/referredCell.H
old mode 100755
new mode 100644
similarity index 100%
rename from src/lagrangian/molecule/referredCell/referredCell.H
rename to src/lagrangian/molecularDynamics/molecule/referredCell/referredCell.H
diff --git a/src/lagrangian/molecule/referredCell/referredCellI.H b/src/lagrangian/molecularDynamics/molecule/referredCell/referredCellI.H
old mode 100755
new mode 100644
similarity index 100%
rename from src/lagrangian/molecule/referredCell/referredCellI.H
rename to src/lagrangian/molecularDynamics/molecule/referredCell/referredCellI.H
diff --git a/src/lagrangian/molecule/referredCellList/referredCellList.C b/src/lagrangian/molecularDynamics/molecule/referredCellList/referredCellList.C
old mode 100755
new mode 100644
similarity index 100%
rename from src/lagrangian/molecule/referredCellList/referredCellList.C
rename to src/lagrangian/molecularDynamics/molecule/referredCellList/referredCellList.C
diff --git a/src/lagrangian/molecule/referredCellList/referredCellList.H b/src/lagrangian/molecularDynamics/molecule/referredCellList/referredCellList.H
old mode 100755
new mode 100644
similarity index 100%
rename from src/lagrangian/molecule/referredCellList/referredCellList.H
rename to src/lagrangian/molecularDynamics/molecule/referredCellList/referredCellList.H
diff --git a/src/lagrangian/molecule/referredCellList/referredCellListI.H b/src/lagrangian/molecularDynamics/molecule/referredCellList/referredCellListI.H
old mode 100755
new mode 100644
similarity index 92%
rename from src/lagrangian/molecule/referredCellList/referredCellListI.H
rename to src/lagrangian/molecularDynamics/molecule/referredCellList/referredCellListI.H
index 34767d88b6..ee09c48184
--- a/src/lagrangian/molecule/referredCellList/referredCellListI.H
+++ b/src/lagrangian/molecularDynamics/molecule/referredCellList/referredCellListI.H
@@ -24,9 +24,6 @@ License
 
 \*---------------------------------------------------------------------------*/
 
-namespace Foam
-{
-
 // * * * * * * * * * * * * * * * Member Operators  * * * * * * * * * * * * * //
 
 inline const Foam::moleculeCloud& Foam::referredCellList::molCloud()
@@ -35,8 +32,4 @@ inline const Foam::moleculeCloud& Foam::referredCellList::molCloud()
 }
 
 
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-
-} // End namespace Foam
-
 // ************************************************************************* //
diff --git a/src/lagrangian/molecule/referredMolecule/referredMolecule.C b/src/lagrangian/molecularDynamics/molecule/referredMolecule/referredMolecule.C
old mode 100755
new mode 100644
similarity index 100%
rename from src/lagrangian/molecule/referredMolecule/referredMolecule.C
rename to src/lagrangian/molecularDynamics/molecule/referredMolecule/referredMolecule.C
diff --git a/src/lagrangian/molecule/referredMolecule/referredMolecule.H b/src/lagrangian/molecularDynamics/molecule/referredMolecule/referredMolecule.H
old mode 100755
new mode 100644
similarity index 99%
rename from src/lagrangian/molecule/referredMolecule/referredMolecule.H
rename to src/lagrangian/molecularDynamics/molecule/referredMolecule/referredMolecule.H
index fcac7925a9..57bc07d7c9
--- a/src/lagrangian/molecule/referredMolecule/referredMolecule.H
+++ b/src/lagrangian/molecularDynamics/molecule/referredMolecule/referredMolecule.H
@@ -98,6 +98,7 @@ public:
             const referredMolecule& b
         );
 
+
     // IOstream Operators
 
         friend Istream& operator>>
diff --git a/src/lagrangian/molecule/referredMolecule/referredMoleculeI.H b/src/lagrangian/molecularDynamics/molecule/referredMolecule/referredMoleculeI.H
old mode 100755
new mode 100644
similarity index 100%
rename from src/lagrangian/molecule/referredMolecule/referredMoleculeI.H
rename to src/lagrangian/molecularDynamics/molecule/referredMolecule/referredMoleculeI.H
diff --git a/src/lagrangian/molecularDynamics/potential/Make/files b/src/lagrangian/molecularDynamics/potential/Make/files
new file mode 100644
index 0000000000..43cf0bb737
--- /dev/null
+++ b/src/lagrangian/molecularDynamics/potential/Make/files
@@ -0,0 +1,35 @@
+pairPotential = pairPotential
+
+$(pairPotential)/pairPotentialList/pairPotentialList.C
+
+$(pairPotential)/basic/pairPotential.C
+$(pairPotential)/basic/pairPotentialIO.C
+$(pairPotential)/basic/newPairPotential.C
+
+$(pairPotential)/derived/lennardJones/lennardJones.C
+$(pairPotential)/derived/maitlandSmith/maitlandSmith.C
+$(pairPotential)/derived/azizChen/azizChen.C
+
+energyScalingFunction = energyScalingFunction
+
+$(energyScalingFunction)/basic/energyScalingFunction.C
+$(energyScalingFunction)/basic/newEnergyScalingFunction.C
+
+$(energyScalingFunction)/derived/shifted/shifted.C
+$(energyScalingFunction)/derived/shiftedForce/shiftedForce.C
+$(energyScalingFunction)/derived/noScaling/noScaling.C
+$(energyScalingFunction)/derived/sigmoid/sigmoid.C
+$(energyScalingFunction)/derived/doubleSigmoid/doubleSigmoid.C
+
+tetherPotential = tetherPotential
+
+$(tetherPotential)/tetherPotentialList/tetherPotentialList.C
+
+$(tetherPotential)/basic/tetherPotential.C
+$(tetherPotential)/basic/newTetherPotential.C
+
+$(tetherPotential)/derived/harmonicSpring/harmonicSpring.C
+$(tetherPotential)/derived/restrainedHarmonicSpring/restrainedHarmonicSpring.C
+
+LIB = $(FOAM_LIBBIN)/libpotential
+
diff --git a/src/lagrangian/molecularDynamics/potential/Make/options b/src/lagrangian/molecularDynamics/potential/Make/options
new file mode 100644
index 0000000000..a412632ebb
--- /dev/null
+++ b/src/lagrangian/molecularDynamics/potential/Make/options
@@ -0,0 +1,6 @@
+EXE_INC = \
+    -I.. \
+    -I$(LIB_SRC)/finiteVolume/lnInclude
+
+LIB_LIBS = \
+    -lfiniteVolume
diff --git a/src/lagrangian/molecularDynamics/potential/energyScalingFunction/basic/energyScalingFunction.C b/src/lagrangian/molecularDynamics/potential/energyScalingFunction/basic/energyScalingFunction.C
new file mode 100644
index 0000000000..1ebd4b4005
--- /dev/null
+++ b/src/lagrangian/molecularDynamics/potential/energyScalingFunction/basic/energyScalingFunction.C
@@ -0,0 +1,76 @@
+/*---------------------------------------------------------------------------*\
+  =========                 |
+  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
+   \\    /   O peration     |
+    \\  /    A nd           | Copyright (C) 1991-2007 OpenCFD Ltd.
+     \\/     M anipulation  |
+-------------------------------------------------------------------------------
+License
+    This file is part of OpenFOAM.
+
+    OpenFOAM is free software; you can redistribute it and/or modify it
+    under the terms of the GNU General Public License as published by the
+    Free Software Foundation; either version 2 of the License, or (at your
+    option) any later version.
+
+    OpenFOAM is distributed in the hope that it will be useful, but WITHOUT
+    ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+    FITNESS FOR A PARTICULAR PURPOSE.  See the GNU General Public License
+    for more details.
+
+    You should have received a copy of the GNU General Public License
+    along with OpenFOAM; if not, write to the Free Software Foundation,
+    Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
+
+Class
+    energyScalingFunction
+
+\*---------------------------------------------------------------------------*/
+
+#include "energyScalingFunction.H"
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+namespace Foam
+{
+
+// * * * * * * * * * * * * * * Static Data Members * * * * * * * * * * * * * //
+
+defineTypeNameAndDebug(energyScalingFunction, 0);
+defineRunTimeSelectionTable(energyScalingFunction, dictionary);
+
+// * * * * * * * * * * * * * Private Member Functions  * * * * * * * * * * * //
+
+// * * * * * * * * * * * * * * * * Constructors  * * * * * * * * * * * * * * //
+
+Foam::energyScalingFunction::energyScalingFunction
+(
+    const word& name,
+    const dictionary& energyScalingFunctionProperties,
+    const pairPotential& pairPot
+)
+:
+    name_(name),
+    energyScalingFunctionProperties_(energyScalingFunctionProperties),
+    pairPot_(pairPot)
+{}
+
+
+// * * * * * * * * * * * * * * Member Functions  * * * * * * * * * * * * * * //
+
+
+bool Foam::energyScalingFunction::read
+(
+    const dictionary& energyScalingFunctionProperties
+)
+{
+    energyScalingFunctionProperties_ = energyScalingFunctionProperties;
+
+    return true;
+}
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+} // End namespace Foam
+
+// ************************************************************************* //
diff --git a/src/lagrangian/molecularDynamics/potential/energyScalingFunction/basic/energyScalingFunction.H b/src/lagrangian/molecularDynamics/potential/energyScalingFunction/basic/energyScalingFunction.H
new file mode 100644
index 0000000000..111cbbedef
--- /dev/null
+++ b/src/lagrangian/molecularDynamics/potential/energyScalingFunction/basic/energyScalingFunction.H
@@ -0,0 +1,151 @@
+/*---------------------------------------------------------------------------*\
+  =========                 |
+  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
+   \\    /   O peration     |
+    \\  /    A nd           | Copyright (C) 1991-2007 OpenCFD Ltd.
+     \\/     M anipulation  |
+-------------------------------------------------------------------------------
+License
+    This file is part of OpenFOAM.
+
+    OpenFOAM is free software; you can redistribute it and/or modify it
+    under the terms of the GNU General Public License as published by the
+    Free Software Foundation; either version 2 of the License, or (at your
+    option) any later version.
+
+    OpenFOAM is distributed in the hope that it will be useful, but WITHOUT
+    ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+    FITNESS FOR A PARTICULAR PURPOSE.  See the GNU General Public License
+    for more details.
+
+    You should have received a copy of the GNU General Public License
+    along with OpenFOAM; if not, write to the Free Software Foundation,
+    Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
+
+Class
+    Foam::energyScalingFunction
+
+Description
+
+SourceFiles
+    energyScalingFunction.C
+    newEnergyScalingFunction.C
+
+\*---------------------------------------------------------------------------*/
+
+#ifndef energyScalingFunction_H
+#define energyScalingFunction_H
+
+#include "IOdictionary.H"
+#include "typeInfo.H"
+#include "runTimeSelectionTables.H"
+#include "autoPtr.H"
+#include "pairPotential.H"
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+namespace Foam
+{
+
+/*---------------------------------------------------------------------------*\
+                Class energyScalingFunction Declaration
+\*---------------------------------------------------------------------------*/
+
+class energyScalingFunction
+{
+
+protected:
+
+    // Protected data
+
+        word name_;
+
+        dictionary energyScalingFunctionProperties_;
+
+        const pairPotential& pairPot_;
+
+
+    // Private Member Functions
+
+        //- Disallow copy construct
+        energyScalingFunction(const energyScalingFunction&);
+
+        //- Disallow default bitwise assignment
+        void operator=(const energyScalingFunction&);
+
+
+public:
+
+    //- Runtime type information
+    TypeName("energyScalingFunction");
+
+
+    // Declare run-time constructor selection table
+
+        declareRunTimeSelectionTable
+        (
+            autoPtr,
+            energyScalingFunction,
+            dictionary,
+            (
+                const word& name,
+                const dictionary& energyScalingFunctionProperties,
+                const pairPotential& pairPot
+            ),
+            (name, energyScalingFunctionProperties, pairPot)
+        );
+
+
+    // Selectors
+
+        //- Return a reference to the selected viscosity model
+        static autoPtr<energyScalingFunction> New
+        (
+            const word& name,
+            const dictionary& energyScalingFunctionProperties,
+            const pairPotential& pairPot
+        );
+
+
+    // Constructors
+
+        //- Construct from components
+        energyScalingFunction
+        (
+            const word& name,
+            const dictionary& energyScalingFunctionProperties,
+            const pairPotential& pairPot
+        );
+
+
+    // Destructor
+
+        virtual ~energyScalingFunction()
+        {}
+
+
+    // Member Functions
+
+        virtual void scaleEnergy(scalar& e, const scalar r) const = 0;
+
+        const dictionary& energyScalingFunctionProperties() const
+        {
+            return energyScalingFunctionProperties_;
+        }
+
+        //- Read energyScalingFunction dictionary
+        virtual bool read(const dictionary& energyScalingFunctionProperties) = 0;
+};
+
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+} // End namespace Foam
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+#endif
+
+// ************************************************************************* //
diff --git a/src/lagrangian/molecularDynamics/potential/energyScalingFunction/basic/newEnergyScalingFunction.C b/src/lagrangian/molecularDynamics/potential/energyScalingFunction/basic/newEnergyScalingFunction.C
new file mode 100644
index 0000000000..bb8153a383
--- /dev/null
+++ b/src/lagrangian/molecularDynamics/potential/energyScalingFunction/basic/newEnergyScalingFunction.C
@@ -0,0 +1,79 @@
+/*---------------------------------------------------------------------------*\
+  =========                 |
+  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
+   \\    /   O peration     |
+    \\  /    A nd           | Copyright (C) 1991-2007 OpenCFD Ltd.
+     \\/     M anipulation  |
+-------------------------------------------------------------------------------
+License
+    This file is part of OpenFOAM.
+
+    OpenFOAM is free software; you can redistribute it and/or modify it
+    under the terms of the GNU General Public License as published by the
+    Free Software Foundation; either version 2 of the License, or (at your
+    option) any later version.
+
+    OpenFOAM is distributed in the hope that it will be useful, but WITHOUT
+    ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+    FITNESS FOR A PARTICULAR PURPOSE.  See the GNU General Public License
+    for more details.
+
+    You should have received a copy of the GNU General Public License
+    along with OpenFOAM; if not, write to the Free Software Foundation,
+    Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
+
+Class
+    energyScalingFunction
+
+\*---------------------------------------------------------------------------*/
+
+#include "energyScalingFunction.H"
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+namespace Foam
+{
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+autoPtr<energyScalingFunction> energyScalingFunction::New
+(
+    const word& name,
+    const dictionary& energyScalingFunctionProperties,
+    const pairPotential& pairPot
+)
+{
+    word energyScalingFunctionTypeName
+    (
+        energyScalingFunctionProperties.lookup("energyScalingFunction")
+    );
+
+    Info<< "Selecting energy scaling function "
+        << energyScalingFunctionTypeName << " for "
+        << name << " potential energy." << endl;
+
+    dictionaryConstructorTable::iterator cstrIter =
+        dictionaryConstructorTablePtr_->find(energyScalingFunctionTypeName);
+
+    if (cstrIter == dictionaryConstructorTablePtr_->end())
+    {
+        FatalErrorIn
+        (
+            "energyScalingFunction::New()"
+        )   << "Unknown energyScalingFunction type "
+            << energyScalingFunctionTypeName << endl << endl
+            << "Valid  energyScalingFunctions are : " << endl
+            << dictionaryConstructorTablePtr_->toc()
+            << exit(FatalError);
+    }
+
+    return autoPtr<energyScalingFunction>
+        (cstrIter()(name, energyScalingFunctionProperties, pairPot));
+}
+
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+} // End namespace Foam
+
+// ************************************************************************* //
diff --git a/src/lagrangian/molecularDynamics/potential/energyScalingFunction/derived/doubleSigmoid/doubleSigmoid.C b/src/lagrangian/molecularDynamics/potential/energyScalingFunction/derived/doubleSigmoid/doubleSigmoid.C
new file mode 100644
index 0000000000..63fabd6ad9
--- /dev/null
+++ b/src/lagrangian/molecularDynamics/potential/energyScalingFunction/derived/doubleSigmoid/doubleSigmoid.C
@@ -0,0 +1,104 @@
+/*---------------------------------------------------------------------------*\
+  =========                 |
+  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
+   \\    /   O peration     |
+    \\  /    A nd           | Copyright (C) 1991-2007 OpenCFD Ltd.
+     \\/     M anipulation  |
+-------------------------------------------------------------------------------
+License
+    This file is part of OpenFOAM.
+
+    OpenFOAM is free software; you can redistribute it and/or modify it
+    under the terms of the GNU General Public License as published by the
+    Free Software Foundation; either version 2 of the License, or (at your
+    option) any later version.
+
+    OpenFOAM is distributed in the hope that it will be useful, but WITHOUT
+    ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+    FITNESS FOR A PARTICULAR PURPOSE.  See the GNU General Public License
+    for more details.
+
+    You should have received a copy of the GNU General Public License
+    along with OpenFOAM; if not, write to the Free Software Foundation,
+    Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
+
+\*---------------------------------------------------------------------------*/
+
+#include "doubleSigmoid.H"
+#include "addToRunTimeSelectionTable.H"
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+namespace Foam
+{
+namespace energyScalingFunctions
+{
+
+// * * * * * * * * * * * * * * Static Data Members * * * * * * * * * * * * * //
+
+defineTypeNameAndDebug(doubleSigmoid, 0);
+
+addToRunTimeSelectionTable
+(
+    energyScalingFunction,
+    doubleSigmoid,
+    dictionary
+);
+
+// * * * * * * * * * * * * Private Member Functions  * * * * * * * * * * * * //
+
+scalar doubleSigmoid::sigmoidScale
+    (
+        const scalar r,
+        const scalar shift,
+        const scalar scale
+    ) const
+{
+    return 1.0 / (1.0 + exp( scale * (r - shift)));
+}
+
+// * * * * * * * * * * * * * * * * Constructors  * * * * * * * * * * * * * * //
+
+doubleSigmoid::doubleSigmoid
+(
+    const word& name,
+    const dictionary& energyScalingFunctionProperties,
+    const pairPotential& pairPot
+)
+:
+    energyScalingFunction(name, energyScalingFunctionProperties, pairPot),
+    doubleSigmoidCoeffs_(energyScalingFunctionProperties.subDict(typeName + "Coeffs")),
+    shift1_(readScalar(doubleSigmoidCoeffs_.lookup("shift1"))),
+    scale1_(readScalar(doubleSigmoidCoeffs_.lookup("scale1"))),
+    shift2_(readScalar(doubleSigmoidCoeffs_.lookup("shift2"))),
+    scale2_(readScalar(doubleSigmoidCoeffs_.lookup("scale2")))
+{}
+
+// * * * * * * * * * * * * * * Member Functions  * * * * * * * * * * * * * * //
+
+void doubleSigmoid::scaleEnergy(scalar& e, const scalar r) const
+{
+    e *= sigmoidScale(r, shift1_, scale1_) * sigmoidScale(r, shift2_, scale2_);
+}
+
+bool doubleSigmoid::read(const dictionary& energyScalingFunctionProperties)
+{
+    energyScalingFunction::read(energyScalingFunctionProperties);
+
+    doubleSigmoidCoeffs_ = energyScalingFunctionProperties.subDict(typeName + "Coeffs");
+
+    doubleSigmoidCoeffs_.lookup("shift1") >> shift1_;
+    doubleSigmoidCoeffs_.lookup("scale1") >> scale1_;
+    doubleSigmoidCoeffs_.lookup("shift2") >> shift2_;
+    doubleSigmoidCoeffs_.lookup("scale2") >> scale2_;
+    
+    return true;
+}
+
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+} // End namespace energyScalingFunctions
+} // End namespace Foam
+
+// ************************************************************************* //
diff --git a/src/lagrangian/molecularDynamics/potential/energyScalingFunction/derived/doubleSigmoid/doubleSigmoid.H b/src/lagrangian/molecularDynamics/potential/energyScalingFunction/derived/doubleSigmoid/doubleSigmoid.H
new file mode 100644
index 0000000000..b23db335fc
--- /dev/null
+++ b/src/lagrangian/molecularDynamics/potential/energyScalingFunction/derived/doubleSigmoid/doubleSigmoid.H
@@ -0,0 +1,115 @@
+/*---------------------------------------------------------------------------*\
+  =========                 |
+  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
+   \\    /   O peration     |
+    \\  /    A nd           | Copyright (C) 1991-2007 OpenCFD Ltd.
+     \\/     M anipulation  |
+-------------------------------------------------------------------------------
+License
+    This file is part of OpenFOAM.
+
+    OpenFOAM is free software; you can redistribute it and/or modify it
+    under the terms of the GNU General Public License as published by the
+    Free Software Foundation; either version 2 of the License, or (at your
+    option) any later version.
+
+    OpenFOAM is distributed in the hope that it will be useful, but WITHOUT
+    ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+    FITNESS FOR A PARTICULAR PURPOSE.  See the GNU General Public License
+    for more details.
+
+    You should have received a copy of the GNU General Public License
+    along with OpenFOAM; if not, write to the Free Software Foundation,
+    Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
+
+Class
+    Foam::energyScalingFunctions::doubleSigmoid
+
+Description
+
+
+SourceFiles
+    doubleSigmoid.C
+
+\*---------------------------------------------------------------------------*/
+
+#ifndef doubleSigmoid_H
+#define doubleSigmoid_H
+
+#include "energyScalingFunction.H"
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+namespace Foam
+{
+namespace energyScalingFunctions
+{
+
+/*---------------------------------------------------------------------------*\
+                           Class doubleSigmoid Declaration
+\*---------------------------------------------------------------------------*/
+
+class doubleSigmoid
+:
+    public energyScalingFunction
+{
+    // Private data
+
+        dictionary doubleSigmoidCoeffs_;
+
+        scalar shift1_;
+        scalar scale1_;
+        scalar shift2_;
+        scalar scale2_;
+
+    // Private Member Functions
+
+        scalar sigmoidScale
+        (
+            const scalar r,
+            const scalar shift,
+            const scalar scale
+        ) const;
+
+
+public:
+
+    //- Runtime type information
+    TypeName("doubleSigmoid");
+
+
+    // Constructors
+
+        //- Construct from components
+        doubleSigmoid
+        (
+            const word& name,
+            const dictionary& energyScalingFunctionProperties,
+            const pairPotential& pairPot
+        );
+
+
+    // Destructor
+
+        ~doubleSigmoid()
+        {}
+
+    // Member Functions
+
+        void scaleEnergy(scalar& e, const scalar r) const;
+
+        //- Read transportProperties dictionary
+        bool read(const dictionary& energyScalingFunctionProperties);
+};
+
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+} // End namespace energyScalingFunctions
+} // End namespace Foam
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+#endif
+
+// ************************************************************************* //
diff --git a/src/lagrangian/molecularDynamics/potential/energyScalingFunction/derived/noScaling/noScaling.C b/src/lagrangian/molecularDynamics/potential/energyScalingFunction/derived/noScaling/noScaling.C
new file mode 100644
index 0000000000..08daf130cb
--- /dev/null
+++ b/src/lagrangian/molecularDynamics/potential/energyScalingFunction/derived/noScaling/noScaling.C
@@ -0,0 +1,81 @@
+/*---------------------------------------------------------------------------*\
+  =========                 |
+  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
+   \\    /   O peration     |
+    \\  /    A nd           | Copyright (C) 1991-2007 OpenCFD Ltd.
+     \\/     M anipulation  |
+-------------------------------------------------------------------------------
+License
+    This file is part of OpenFOAM.
+
+    OpenFOAM is free software; you can redistribute it and/or modify it
+    under the terms of the GNU General Public License as published by the
+    Free Software Foundation; either version 2 of the License, or (at your
+    option) any later version.
+
+    OpenFOAM is distributed in the hope that it will be useful, but WITHOUT
+    ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+    FITNESS FOR A PARTICULAR PURPOSE.  See the GNU General Public License
+    for more details.
+
+    You should have received a copy of the GNU General Public License
+    along with OpenFOAM; if not, write to the Free Software Foundation,
+    Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
+
+\*---------------------------------------------------------------------------*/
+
+#include "noScaling.H"
+#include "addToRunTimeSelectionTable.H"
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+namespace Foam
+{
+namespace energyScalingFunctions
+{
+
+// * * * * * * * * * * * * * * Static Data Members * * * * * * * * * * * * * //
+
+defineTypeNameAndDebug(noScaling, 0);
+
+addToRunTimeSelectionTable
+(
+    energyScalingFunction,
+    noScaling,
+    dictionary
+);
+
+// * * * * * * * * * * * * Private Member Functions  * * * * * * * * * * * * //
+
+
+// * * * * * * * * * * * * * * * * Constructors  * * * * * * * * * * * * * * //
+
+noScaling::noScaling
+(
+    const word& name,
+    const dictionary& energyScalingFunctionProperties,
+    const pairPotential& pairPot
+)
+:
+    energyScalingFunction(name, energyScalingFunctionProperties, pairPot)
+{}
+
+// * * * * * * * * * * * * * * Member Functions  * * * * * * * * * * * * * * //
+
+void noScaling::scaleEnergy(scalar& e, const scalar r) const
+{}
+
+bool noScaling::read(const dictionary& energyScalingFunctionProperties)
+{
+    energyScalingFunction::read(energyScalingFunctionProperties);
+    
+    return true;
+}
+
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+} // End namespace energyScalingFunctions
+} // End namespace Foam
+
+// ************************************************************************* //
diff --git a/src/lagrangian/molecularDynamics/potential/energyScalingFunction/derived/noScaling/noScaling.H b/src/lagrangian/molecularDynamics/potential/energyScalingFunction/derived/noScaling/noScaling.H
new file mode 100644
index 0000000000..1e5f2452e2
--- /dev/null
+++ b/src/lagrangian/molecularDynamics/potential/energyScalingFunction/derived/noScaling/noScaling.H
@@ -0,0 +1,97 @@
+/*---------------------------------------------------------------------------*\
+  =========                 |
+  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
+   \\    /   O peration     |
+    \\  /    A nd           | Copyright (C) 1991-2007 OpenCFD Ltd.
+     \\/     M anipulation  |
+-------------------------------------------------------------------------------
+License
+    This file is part of OpenFOAM.
+
+    OpenFOAM is free software; you can redistribute it and/or modify it
+    under the terms of the GNU General Public License as published by the
+    Free Software Foundation; either version 2 of the License, or (at your
+    option) any later version.
+
+    OpenFOAM is distributed in the hope that it will be useful, but WITHOUT
+    ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+    FITNESS FOR A PARTICULAR PURPOSE.  See the GNU General Public License
+    for more details.
+
+    You should have received a copy of the GNU General Public License
+    along with OpenFOAM; if not, write to the Free Software Foundation,
+    Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
+
+Class
+    Foam::energyScalingFunctions::noScaling
+
+Description
+
+
+SourceFiles
+    noScaling.C
+
+\*---------------------------------------------------------------------------*/
+
+#ifndef noScaling_H
+#define noScaling_H
+
+#include "energyScalingFunction.H"
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+namespace Foam
+{
+namespace energyScalingFunctions
+{
+
+/*---------------------------------------------------------------------------*\
+                           Class noScaling Declaration
+\*---------------------------------------------------------------------------*/
+
+class noScaling
+:
+    public energyScalingFunction
+{
+
+public:
+
+    //- Runtime type information
+    TypeName("noScaling");
+
+
+    // Constructors
+
+        //- Construct from components
+        noScaling
+        (
+            const word& name,
+            const dictionary& energyScalingFunctionProperties,
+            const pairPotential& pairPot
+        );
+
+
+    // Destructor
+
+        ~noScaling()
+        {}
+
+    // Member Functions
+
+        void scaleEnergy(scalar& e, const scalar r) const;
+
+        //- Read transportProperties dictionary
+        bool read(const dictionary& energyScalingFunctionProperties);
+};
+
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+} // End namespace energyScalingFunctions
+} // End namespace Foam
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+#endif
+
+// ************************************************************************* //
diff --git a/src/lagrangian/molecule/potentials/tetherPotential/tetherPotential.C b/src/lagrangian/molecularDynamics/potential/energyScalingFunction/derived/shifted/shifted.C
old mode 100755
new mode 100644
similarity index 53%
rename from src/lagrangian/molecule/potentials/tetherPotential/tetherPotential.C
rename to src/lagrangian/molecularDynamics/potential/energyScalingFunction/derived/shifted/shifted.C
index 46c097b36d..28882fb118
--- a/src/lagrangian/molecule/potentials/tetherPotential/tetherPotential.C
+++ b/src/lagrangian/molecularDynamics/potential/energyScalingFunction/derived/shifted/shifted.C
@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 1991-2005 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 1991-2007 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
@@ -22,73 +22,63 @@ License
     along with OpenFOAM; if not, write to the Free Software Foundation,
     Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
 
-\*----------------------------------------------------------------------------*/
+\*---------------------------------------------------------------------------*/
 
-#include "tetherPotential.H"
+#include "shifted.H"
+#include "addToRunTimeSelectionTable.H"
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
 namespace Foam
 {
+namespace energyScalingFunctions
+{
+
+// * * * * * * * * * * * * * * Static Data Members * * * * * * * * * * * * * //
+
+defineTypeNameAndDebug(shifted, 0);
+
+addToRunTimeSelectionTable
+(
+    energyScalingFunction,
+    shifted,
+    dictionary
+);
+
+// * * * * * * * * * * * * Private Member Functions  * * * * * * * * * * * * //
+
 
 // * * * * * * * * * * * * * * * * Constructors  * * * * * * * * * * * * * * //
 
-tetherPotential::tetherPotential()
-{}
-
-
-tetherPotential::tetherPotential
+shifted::shifted
 (
-    const word& tetherPotentialName,
-    const word& tetherPotentialType,
-    const scalar springConstant
+    const word& name,
+    const dictionary& energyScalingFunctionProperties,
+    const pairPotential& pairPot
 )
 :
-    tetherPotentialName_(tetherPotentialName),
-    tetherPotentialType_(tetherPotentialType),
-    springConstant_(springConstant)
+    energyScalingFunction(name, energyScalingFunctionProperties, pairPot),
+    e_at_rCut_(pairPot.unscaledEnergy(pairPot.rCut()))
 {}
 
+// * * * * * * * * * * * * * * Member Functions  * * * * * * * * * * * * * * //
 
-// * * * * * * * * * * * * * * * * Destructor  * * * * * * * * * * * * * * * //
-
-tetherPotential::~tetherPotential()
-{}
-
-
-// * * * * * * * * * * * * * * * Member Functions  * * * * * * * * * * * * * //
-
-void tetherPotential::write(Ostream& os) const
+void shifted::scaleEnergy(scalar& e, const scalar r) const
 {
-    os << tetherPotentialName_
-       << nl << tetherPotentialType_
-       << nl << springConstant_
-       << endl;
+    e -= e_at_rCut_;
+}
+
+bool shifted::read(const dictionary& energyScalingFunctionProperties)
+{
+    energyScalingFunction::read(energyScalingFunctionProperties);
+    
+    return true;
 }
 
 
-scalar tetherPotential::force(const scalar rITMag) const
-{
-    return -springConstant_ * rITMag;
-}
-
-
-scalar tetherPotential::energy(const scalar rITMag) const
-{
-    return 0.5*springConstant_*rITMag*rITMag;
-}
-
-
-// * * * * * * * * * * * * * * * Friend Functions  * * * * * * * * * * * * * //
-
-Ostream& operator<<(Ostream& os, const tetherPotential& pot)
-{
-    pot.write(os);
-    os.check("Ostream& operator<<(Ostream& f, const tetherPotential& pot");
-    return os;
-}
-
-
-// * * * * * * * * * * * * * * * Friend Operators  * * * * * * * * * * * * * //
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
+} // End namespace energyScalingFunctions
 } // End namespace Foam
 
 // ************************************************************************* //
diff --git a/src/lagrangian/molecularDynamics/potential/energyScalingFunction/derived/shifted/shifted.H b/src/lagrangian/molecularDynamics/potential/energyScalingFunction/derived/shifted/shifted.H
new file mode 100644
index 0000000000..3754fb0b0e
--- /dev/null
+++ b/src/lagrangian/molecularDynamics/potential/energyScalingFunction/derived/shifted/shifted.H
@@ -0,0 +1,101 @@
+/*---------------------------------------------------------------------------*\
+  =========                 |
+  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
+   \\    /   O peration     |
+    \\  /    A nd           | Copyright (C) 1991-2007 OpenCFD Ltd.
+     \\/     M anipulation  |
+-------------------------------------------------------------------------------
+License
+    This file is part of OpenFOAM.
+
+    OpenFOAM is free software; you can redistribute it and/or modify it
+    under the terms of the GNU General Public License as published by the
+    Free Software Foundation; either version 2 of the License, or (at your
+    option) any later version.
+
+    OpenFOAM is distributed in the hope that it will be useful, but WITHOUT
+    ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+    FITNESS FOR A PARTICULAR PURPOSE.  See the GNU General Public License
+    for more details.
+
+    You should have received a copy of the GNU General Public License
+    along with OpenFOAM; if not, write to the Free Software Foundation,
+    Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
+
+Class
+    Foam::energyScalingFunctions::shifted
+
+Description
+
+
+SourceFiles
+    shifted.C
+
+\*---------------------------------------------------------------------------*/
+
+#ifndef shifted_H
+#define shifted_H
+
+#include "energyScalingFunction.H"
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+namespace Foam
+{
+namespace energyScalingFunctions
+{
+
+/*---------------------------------------------------------------------------*\
+                           Class shifted Declaration
+\*---------------------------------------------------------------------------*/
+
+class shifted
+:
+    public energyScalingFunction
+{
+    // Private data
+
+        scalar e_at_rCut_;
+
+
+public:
+
+    //- Runtime type information
+    TypeName("shifted");
+
+
+    // Constructors
+
+        //- Construct from components
+        shifted
+        (
+            const word& name,
+            const dictionary& energyScalingFunctionProperties,
+            const pairPotential& pairPot
+        );
+
+
+    // Destructor
+
+        ~shifted()
+        {}
+
+    // Member Functions
+
+        void scaleEnergy(scalar& e, const scalar r) const;
+
+        //- Read transportProperties dictionary
+        bool read(const dictionary& energyScalingFunctionProperties);
+};
+
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+} // End namespace energyScalingFunctions
+} // End namespace Foam
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+#endif
+
+// ************************************************************************* //
diff --git a/src/lagrangian/molecularDynamics/potential/energyScalingFunction/derived/shiftedForce/shiftedForce.C b/src/lagrangian/molecularDynamics/potential/energyScalingFunction/derived/shiftedForce/shiftedForce.C
new file mode 100644
index 0000000000..c619c3fc06
--- /dev/null
+++ b/src/lagrangian/molecularDynamics/potential/energyScalingFunction/derived/shiftedForce/shiftedForce.C
@@ -0,0 +1,86 @@
+/*---------------------------------------------------------------------------*\
+  =========                 |
+  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
+   \\    /   O peration     |
+    \\  /    A nd           | Copyright (C) 1991-2007 OpenCFD Ltd.
+     \\/     M anipulation  |
+-------------------------------------------------------------------------------
+License
+    This file is part of OpenFOAM.
+
+    OpenFOAM is free software; you can redistribute it and/or modify it
+    under the terms of the GNU General Public License as published by the
+    Free Software Foundation; either version 2 of the License, or (at your
+    option) any later version.
+
+    OpenFOAM is distributed in the hope that it will be useful, but WITHOUT
+    ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+    FITNESS FOR A PARTICULAR PURPOSE.  See the GNU General Public License
+    for more details.
+
+    You should have received a copy of the GNU General Public License
+    along with OpenFOAM; if not, write to the Free Software Foundation,
+    Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
+
+\*---------------------------------------------------------------------------*/
+
+#include "shiftedForce.H"
+#include "addToRunTimeSelectionTable.H"
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+namespace Foam
+{
+namespace energyScalingFunctions
+{
+
+// * * * * * * * * * * * * * * Static Data Members * * * * * * * * * * * * * //
+
+defineTypeNameAndDebug(shiftedForce, 0);
+
+addToRunTimeSelectionTable
+(
+    energyScalingFunction,
+    shiftedForce,
+    dictionary
+);
+
+// * * * * * * * * * * * * Private Member Functions  * * * * * * * * * * * * //
+
+
+// * * * * * * * * * * * * * * * * Constructors  * * * * * * * * * * * * * * //
+
+shiftedForce::shiftedForce
+(
+    const word& name,
+    const dictionary& energyScalingFunctionProperties,
+    const pairPotential& pairPot
+)
+:
+    energyScalingFunction(name, energyScalingFunctionProperties, pairPot),
+    rCut_(pairPot.rCut()),
+    e_at_rCut_(pairPot.unscaledEnergy(rCut_)),
+    de_dr_at_rCut_(pairPot.energyDerivative(rCut_, false))
+{}
+
+// * * * * * * * * * * * * * * Member Functions  * * * * * * * * * * * * * * //
+
+void shiftedForce::scaleEnergy(scalar& e, const scalar r) const
+{
+    e -= ( e_at_rCut_ + de_dr_at_rCut_ * (r - rCut_) );
+}
+
+bool shiftedForce::read(const dictionary& energyScalingFunctionProperties)
+{
+    energyScalingFunction::read(energyScalingFunctionProperties);
+    
+    return true;
+}
+
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+} // End namespace energyScalingFunctions
+} // End namespace Foam
+
+// ************************************************************************* //
diff --git a/src/lagrangian/molecularDynamics/potential/energyScalingFunction/derived/shiftedForce/shiftedForce.H b/src/lagrangian/molecularDynamics/potential/energyScalingFunction/derived/shiftedForce/shiftedForce.H
new file mode 100644
index 0000000000..6258801982
--- /dev/null
+++ b/src/lagrangian/molecularDynamics/potential/energyScalingFunction/derived/shiftedForce/shiftedForce.H
@@ -0,0 +1,106 @@
+/*---------------------------------------------------------------------------*\
+  =========                 |
+  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
+   \\    /   O peration     |
+    \\  /    A nd           | Copyright (C) 1991-2007 OpenCFD Ltd.
+     \\/     M anipulation  |
+-------------------------------------------------------------------------------
+License
+    This file is part of OpenFOAM.
+
+    OpenFOAM is free software; you can redistribute it and/or modify it
+    under the terms of the GNU General Public License as published by the
+    Free Software Foundation; either version 2 of the License, or (at your
+    option) any later version.
+
+    OpenFOAM is distributed in the hope that it will be useful, but WITHOUT
+    ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+    FITNESS FOR A PARTICULAR PURPOSE.  See the GNU General Public License
+    for more details.
+
+    You should have received a copy of the GNU General Public License
+    along with OpenFOAM; if not, write to the Free Software Foundation,
+    Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
+
+Class
+    Foam::energyScalingFunctions::shiftedForce
+
+Description
+
+
+SourceFiles
+    shiftedForce.C
+
+\*---------------------------------------------------------------------------*/
+
+#ifndef shiftedForce_H
+#define shiftedForce_H
+
+#include "energyScalingFunction.H"
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+namespace Foam
+{
+namespace energyScalingFunctions
+{
+
+/*---------------------------------------------------------------------------*\
+                           Class shiftedForce Declaration
+\*---------------------------------------------------------------------------*/
+
+class shiftedForce
+:
+    public energyScalingFunction
+{
+    // Private data
+
+        scalar rCut_;
+
+        scalar e_at_rCut_;
+
+        scalar de_dr_at_rCut_;
+
+
+public:
+
+    //- Runtime type information
+    TypeName("shiftedForce");
+
+
+    // Constructors
+
+        //- Construct from components
+        shiftedForce
+        (
+            const word& name,
+            const dictionary& energyScalingFunctionProperties,
+            const pairPotential& pairPot
+        );
+
+
+    // Destructor
+
+        ~shiftedForce()
+        {}
+
+
+    // Member Functions
+
+        void scaleEnergy(scalar& e, const scalar r) const;
+
+        //- Read transportProperties dictionary
+        bool read(const dictionary& energyScalingFunctionProperties);
+};
+
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+} // End namespace energyScalingFunctions
+} // End namespace Foam
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+#endif
+
+// ************************************************************************* //
diff --git a/src/lagrangian/molecularDynamics/potential/energyScalingFunction/derived/sigmoid/sigmoid.C b/src/lagrangian/molecularDynamics/potential/energyScalingFunction/derived/sigmoid/sigmoid.C
new file mode 100644
index 0000000000..5523cff338
--- /dev/null
+++ b/src/lagrangian/molecularDynamics/potential/energyScalingFunction/derived/sigmoid/sigmoid.C
@@ -0,0 +1,100 @@
+/*---------------------------------------------------------------------------*\
+  =========                 |
+  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
+   \\    /   O peration     |
+    \\  /    A nd           | Copyright (C) 1991-2007 OpenCFD Ltd.
+     \\/     M anipulation  |
+-------------------------------------------------------------------------------
+License
+    This file is part of OpenFOAM.
+
+    OpenFOAM is free software; you can redistribute it and/or modify it
+    under the terms of the GNU General Public License as published by the
+    Free Software Foundation; either version 2 of the License, or (at your
+    option) any later version.
+
+    OpenFOAM is distributed in the hope that it will be useful, but WITHOUT
+    ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+    FITNESS FOR A PARTICULAR PURPOSE.  See the GNU General Public License
+    for more details.
+
+    You should have received a copy of the GNU General Public License
+    along with OpenFOAM; if not, write to the Free Software Foundation,
+    Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
+
+\*---------------------------------------------------------------------------*/
+
+#include "sigmoid.H"
+#include "addToRunTimeSelectionTable.H"
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+namespace Foam
+{
+namespace energyScalingFunctions
+{
+
+// * * * * * * * * * * * * * * Static Data Members * * * * * * * * * * * * * //
+
+defineTypeNameAndDebug(sigmoid, 0);
+
+addToRunTimeSelectionTable
+(
+    energyScalingFunction,
+    sigmoid,
+    dictionary
+);
+
+// * * * * * * * * * * * * Private Member Functions  * * * * * * * * * * * * //
+
+scalar sigmoid::sigmoidScale
+    (
+        const scalar r,
+        const scalar shift,
+        const scalar scale
+    ) const
+{
+    return 1.0 / (1.0 + exp( scale * (r - shift)));
+}
+
+// * * * * * * * * * * * * * * * * Constructors  * * * * * * * * * * * * * * //
+
+sigmoid::sigmoid
+(
+    const word& name,
+    const dictionary& energyScalingFunctionProperties,
+    const pairPotential& pairPot
+)
+:
+    energyScalingFunction(name, energyScalingFunctionProperties, pairPot),
+    sigmoidCoeffs_(energyScalingFunctionProperties.subDict(typeName + "Coeffs")),
+    shift_(readScalar(sigmoidCoeffs_.lookup("shift"))),
+    scale_(readScalar(sigmoidCoeffs_.lookup("scale")))
+{}
+
+// * * * * * * * * * * * * * * Member Functions  * * * * * * * * * * * * * * //
+
+void sigmoid::scaleEnergy(scalar& e, const scalar r) const
+{
+    e *= sigmoidScale(r, shift_, scale_);
+}
+
+bool sigmoid::read(const dictionary& energyScalingFunctionProperties)
+{
+    energyScalingFunction::read(energyScalingFunctionProperties);
+
+    sigmoidCoeffs_ = energyScalingFunctionProperties.subDict(typeName + "Coeffs");
+
+    sigmoidCoeffs_.lookup("shift") >> shift_;
+    sigmoidCoeffs_.lookup("scale") >> shift_;
+    
+    return true;
+}
+
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+} // End namespace energyScalingFunctions
+} // End namespace Foam
+
+// ************************************************************************* //
diff --git a/src/lagrangian/molecularDynamics/potential/energyScalingFunction/derived/sigmoid/sigmoid.H b/src/lagrangian/molecularDynamics/potential/energyScalingFunction/derived/sigmoid/sigmoid.H
new file mode 100644
index 0000000000..ae193fe313
--- /dev/null
+++ b/src/lagrangian/molecularDynamics/potential/energyScalingFunction/derived/sigmoid/sigmoid.H
@@ -0,0 +1,115 @@
+/*---------------------------------------------------------------------------*\
+  =========                 |
+  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
+   \\    /   O peration     |
+    \\  /    A nd           | Copyright (C) 1991-2007 OpenCFD Ltd.
+     \\/     M anipulation  |
+-------------------------------------------------------------------------------
+License
+    This file is part of OpenFOAM.
+
+    OpenFOAM is free software; you can redistribute it and/or modify it
+    under the terms of the GNU General Public License as published by the
+    Free Software Foundation; either version 2 of the License, or (at your
+    option) any later version.
+
+    OpenFOAM is distributed in the hope that it will be useful, but WITHOUT
+    ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+    FITNESS FOR A PARTICULAR PURPOSE.  See the GNU General Public License
+    for more details.
+
+    You should have received a copy of the GNU General Public License
+    along with OpenFOAM; if not, write to the Free Software Foundation,
+    Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
+
+Class
+    Foam::energyScalingFunctions::sigmoid
+
+Description
+
+
+SourceFiles
+    sigmoid.C
+
+\*---------------------------------------------------------------------------*/
+
+#ifndef sigmoid_H
+#define sigmoid_H
+
+#include "energyScalingFunction.H"
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+namespace Foam
+{
+namespace energyScalingFunctions
+{
+
+/*---------------------------------------------------------------------------*\
+                           Class sigmoid Declaration
+\*---------------------------------------------------------------------------*/
+
+class sigmoid
+:
+    public energyScalingFunction
+{
+    // Private data
+
+        dictionary sigmoidCoeffs_;
+
+        scalar shift_;
+        scalar scale_;
+
+
+    // Private Member Functions
+
+        scalar sigmoidScale
+        (
+            const scalar r,
+            const scalar shift,
+            const scalar scale
+        ) const;
+
+
+public:
+
+    //- Runtime type information
+    TypeName("sigmoid");
+
+
+    // Constructors
+
+        //- Construct from components
+        sigmoid
+        (
+            const word& name,
+            const dictionary& energyScalingFunctionProperties,
+            const pairPotential& pairPot
+        );
+
+
+    // Destructor
+
+        ~sigmoid()
+        {}
+
+
+    // Member Functions
+
+        void scaleEnergy(scalar& e, const scalar r) const;
+
+        //- Read transportProperties dictionary
+        bool read(const dictionary& energyScalingFunctionProperties);
+};
+
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+} // End namespace energyScalingFunctions
+} // End namespace Foam
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+#endif
+
+// ************************************************************************* //
diff --git a/src/lagrangian/molecularDynamics/potential/pairPotential/basic/newPairPotential.C b/src/lagrangian/molecularDynamics/potential/pairPotential/basic/newPairPotential.C
new file mode 100644
index 0000000000..f10b0aa84d
--- /dev/null
+++ b/src/lagrangian/molecularDynamics/potential/pairPotential/basic/newPairPotential.C
@@ -0,0 +1,75 @@
+/*---------------------------------------------------------------------------*\
+  =========                 |
+  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
+   \\    /   O peration     |
+    \\  /    A nd           | Copyright (C) 1991-2007 OpenCFD Ltd.
+     \\/     M anipulation  |
+-------------------------------------------------------------------------------
+License
+    This file is part of OpenFOAM.
+
+    OpenFOAM is free software; you can redistribute it and/or modify it
+    under the terms of the GNU General Public License as published by the
+    Free Software Foundation; either version 2 of the License, or (at your
+    option) any later version.
+
+    OpenFOAM is distributed in the hope that it will be useful, but WITHOUT
+    ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+    FITNESS FOR A PARTICULAR PURPOSE.  See the GNU General Public License
+    for more details.
+
+    You should have received a copy of the GNU General Public License
+    along with OpenFOAM; if not, write to the Free Software Foundation,
+    Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
+
+Class
+    pairPotential
+
+\*---------------------------------------------------------------------------*/
+
+#include "pairPotential.H"
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+namespace Foam
+{
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+autoPtr<pairPotential> pairPotential::New
+(
+    const word& name,
+    const dictionary& pairPotentialProperties
+)
+{
+    word pairPotentialTypeName(pairPotentialProperties.lookup("pairPotential"));
+
+    Info<< nl << "Selecting intermolecular pair potential "
+        << pairPotentialTypeName << " for "
+        << name << " interaction." << endl;
+
+    dictionaryConstructorTable::iterator cstrIter =
+        dictionaryConstructorTablePtr_->find(pairPotentialTypeName);
+
+    if (cstrIter == dictionaryConstructorTablePtr_->end())
+    {
+        FatalErrorIn
+        (
+            "pairPotential::New()"
+        )   << "Unknown pairPotential type "
+            << pairPotentialTypeName << endl << endl
+            << "Valid  pairPotentials are : " << endl
+            << dictionaryConstructorTablePtr_->toc()
+            << exit(FatalError);
+    }
+
+    return autoPtr<pairPotential>
+        (cstrIter()(name, pairPotentialProperties));
+}
+
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+} // End namespace Foam
+
+// ************************************************************************* //
diff --git a/src/lagrangian/molecularDynamics/potential/pairPotential/basic/pairPotential.C b/src/lagrangian/molecularDynamics/potential/pairPotential/basic/pairPotential.C
new file mode 100644
index 0000000000..209b4c7473
--- /dev/null
+++ b/src/lagrangian/molecularDynamics/potential/pairPotential/basic/pairPotential.C
@@ -0,0 +1,240 @@
+/*---------------------------------------------------------------------------*\
+  =========                 |
+  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
+   \\    /   O peration     |
+    \\  /    A nd           | Copyright (C) 1991-2007 OpenCFD Ltd.
+     \\/     M anipulation  |
+-------------------------------------------------------------------------------
+License
+    This file is part of OpenFOAM.
+
+    OpenFOAM is free software; you can redistribute it and/or modify it
+    under the terms of the GNU General Public License as published by the
+    Free Software Foundation; either version 2 of the License, or (at your
+    option) any later version.
+
+    OpenFOAM is distributed in the hope that it will be useful, but WITHOUT
+    ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+    FITNESS FOR A PARTICULAR PURPOSE.  See the GNU General Public License
+    for more details.
+
+    You should have received a copy of the GNU General Public License
+    along with OpenFOAM; if not, write to the Free Software Foundation,
+    Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
+
+Class
+    pairPotential
+
+\*---------------------------------------------------------------------------*/
+
+#include "pairPotential.H"
+#include "energyScalingFunction.H"
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+namespace Foam
+{
+
+// * * * * * * * * * * * * * * Static Data Members * * * * * * * * * * * * * //
+
+defineTypeNameAndDebug(pairPotential, 0);
+defineRunTimeSelectionTable(pairPotential, dictionary);
+
+// * * * * * * * * * * * * * Private Member Functions  * * * * * * * * * * * //
+
+
+void Foam::pairPotential::scaleEnergy(scalar& e, const scalar r) const
+{
+    if (!esfPtr_)
+    {
+        esfPtr_ = energyScalingFunction::New
+        (
+            name_, pairPotentialProperties_, *this
+        ).ptr();
+    }
+
+    esfPtr_->scaleEnergy(e, r);
+}
+
+
+// * * * * * * * * * * * * * * * * Constructors  * * * * * * * * * * * * * * //
+
+Foam::pairPotential::pairPotential
+(
+    const word& name,
+    const dictionary& pairPotentialProperties
+)
+:
+    name_(name),
+    pairPotentialProperties_(pairPotentialProperties),
+    rCut_(readScalar(pairPotentialProperties_.lookup("rCut"))),
+    rCutSqr_(rCut_*rCut_),
+    rMin_(readScalar(pairPotentialProperties_.lookup("rMin"))),
+    dr_(readScalar(pairPotentialProperties_.lookup("dr"))),
+    forceLookup_(0),
+    energyLookup_(0),
+    esfPtr_(NULL),
+    writeTables_(Switch(pairPotentialProperties_.lookup("writeTables")))
+{}
+
+
+// * * * * * * * * * * * * * * Member Functions  * * * * * * * * * * * * * * //
+
+void Foam::pairPotential::setLookupTables()
+{
+    label N = label((rCut_ - rMin_)/dr_) + 1;
+
+    forceLookup_.setSize(N);
+
+    energyLookup_.setSize(N);
+
+    forAll(forceLookup_, k)
+    {
+        energyLookup_[k] = scaledEnergy(k*dr_ + rMin_);
+
+        forceLookup_[k] = -energyDerivative((k*dr_ + rMin_), true);
+    }
+}
+
+
+Foam::scalar Foam::pairPotential::forceLookup(const scalar r) const
+{
+    scalar k_rIJ = (r - rMin_)/dr_;
+
+    label k(k_rIJ);
+
+    if (k < 0)
+    {
+        FatalErrorIn("pairPotential.C") << nl
+            << "r less than rMin" << nl
+            << abort(FatalError);
+    }
+
+    scalar f =
+        (k_rIJ - k)*forceLookup_[k+1]
+      + (k + 1 - k_rIJ)*forceLookup_[k];
+
+    return f;
+}
+
+
+Foam::List< Foam::Pair< Foam::scalar > >
+Foam::pairPotential::forceTable() const
+{
+    List<Pair<scalar> > forceTab(forceLookup_.size());
+
+    forAll(forceLookup_,k)
+    {
+        forceTab[k].first() = rMin_ + k*dr_;
+
+        forceTab[k].second() = forceLookup_[k];
+    }
+
+    return forceTab;
+}
+
+
+Foam::scalar Foam::pairPotential::energyLookup(const scalar r) const
+{
+    scalar k_rIJ = (r - rMin_)/dr_;
+
+    label k(k_rIJ);
+
+    if (k < 0)
+    {
+        FatalErrorIn("pairPotential.C") << nl
+            << "r less than rMin" << nl
+            << abort(FatalError);
+    }
+
+    scalar e =
+        (k_rIJ - k)*energyLookup_[k+1]
+      + (k + 1 - k_rIJ)*energyLookup_[k];
+
+    return e;
+}
+
+
+Foam::List< Foam::Pair< Foam::scalar > >
+    Foam::pairPotential::energyTable() const
+{
+    List<Pair<scalar> > energyTab(energyLookup_.size());
+
+    forAll(energyLookup_,k)
+    {
+        energyTab[k].first() = rMin_ + k*dr_;
+
+        energyTab[k].second() = energyLookup_[k];
+    }
+
+    return energyTab;
+}
+
+
+Foam::scalar Foam::pairPotential::scaledEnergy(const scalar r) const
+{
+    scalar e = unscaledEnergy(r);
+
+    scaleEnergy(e, r);
+
+    return e;
+}
+
+
+Foam::scalar Foam::pairPotential::energyDerivative
+(
+    const scalar r,
+    const bool scaledEnergyDerivative
+) const
+{
+    // Local quadratic fit to energy: E = a0 + a1*r + a2*r^2
+    // Differentiate to give f = -dE/dr = -a1 - 2*a2*r
+
+    scalar ra = r - dr_;
+    scalar rf = r;
+    scalar rb = r + dr_;
+
+    scalar Ea, Ef, Eb;
+
+    if (scaledEnergyDerivative)
+    {
+        Ea = scaledEnergy(ra);
+        Ef = scaledEnergy(rf);
+        Eb = scaledEnergy(rb);
+    }
+    else
+    {
+        Ea = unscaledEnergy(ra);
+        Ef = unscaledEnergy(rf);
+        Eb = unscaledEnergy(rb);
+    }
+
+    scalar denominator = (ra - rf)*(ra - rb)*(rf - rb);
+
+    scalar a1 =
+    (
+        rb*rb*(Ea - Ef) + ra*ra*(Ef - Eb) + rf*rf*(Eb - Ea)
+    ) / denominator;
+
+    scalar a2 =
+    (
+        rb*(Ef - Ea) + rf*(Ea - Eb) + ra*(Eb - Ef)
+    ) / denominator;
+
+    return a1 + 2.0*a2*r;
+}
+
+
+bool Foam::pairPotential::read(const dictionary& pairPotentialProperties)
+{
+    pairPotentialProperties_ = pairPotentialProperties;
+
+    return true;
+}
+
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+} // End namespace Foam
+
+// ************************************************************************* //
diff --git a/src/lagrangian/molecule/potentials/pairPotential/basic/pairPotential.H b/src/lagrangian/molecularDynamics/potential/pairPotential/basic/pairPotential.H
old mode 100755
new mode 100644
similarity index 50%
rename from src/lagrangian/molecule/potentials/pairPotential/basic/pairPotential.H
rename to src/lagrangian/molecularDynamics/potential/pairPotential/basic/pairPotential.H
index 42b507586a..c787072f34
--- a/src/lagrangian/molecule/potentials/pairPotential/basic/pairPotential.H
+++ b/src/lagrangian/molecularDynamics/potential/pairPotential/basic/pairPotential.H
@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 1991-2005 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 1991-2007 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
@@ -27,157 +27,157 @@ Class
 
 Description
 
-    At the moment this is hard coded to be a shifted force
-    "maitlandSmith" potential.
-    In future use templated classes virtual functions,
-    function pointers and all kinds of good stuff to make
-    this a generic pair force,
-
 SourceFiles
-    pairPotentialI.H
     pairPotential.C
+    newPairPotential.C
 
 \*---------------------------------------------------------------------------*/
 
 #ifndef pairPotential_H
 #define pairPotential_H
 
-#include "vector.H"
-#include "dictionary.H"
+#include "IOdictionary.H"
+#include "typeInfo.H"
+#include "runTimeSelectionTables.H"
+#include "autoPtr.H"
 #include "List.H"
 #include "Pair.H"
+#include "Switch.H"
 
 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
 namespace Foam
 {
 
+// Forward declaration of classes
+class energyScalingFunction;
+
 /*---------------------------------------------------------------------------*\
-                           Class pairPotential Declaration
+                Class pairPotential Declaration
 \*---------------------------------------------------------------------------*/
 
 class pairPotential
 {
-    // Private data
 
-        List<scalar> forceLookup_;
+protected:
 
-        List<scalar> energyLookup_;
+    // Protected data
 
-        scalar m_;
-
-        scalar gamma_;
-
-        scalar rm_;
-
-        scalar epsilon_;
+        word name_;
+        dictionary pairPotentialProperties_;
 
         scalar rCut_;
-
         scalar rCutSqr_;
 
-        scalar u_at_rCut_;
-
-        scalar du_by_dr_at_rCut_;
-
         scalar rMin_;
-
         scalar dr_;
 
+        List<scalar> forceLookup_;
+        List<scalar> energyLookup_;
+
+        mutable energyScalingFunction* esfPtr_;
+
+        bool writeTables_;
 
     // Private Member Functions
 
-        void setLookupTables();
+        void scaleEnergy(scalar& e, const scalar r) const;
 
-        void setConstants();
+        //- Disallow copy construct
+        pairPotential(const pairPotential&);
+
+        //- Disallow default bitwise assignment
+        void operator=(const pairPotential&);
 
 
 public:
 
+    //- Runtime type information
+    TypeName("pairPotential");
+
+
+    // Declare run-time constructor selection table
+
+        declareRunTimeSelectionTable
+        (
+            autoPtr,
+            pairPotential,
+            dictionary,
+            (
+                const word& name,
+                const dictionary& pairPotentialProperties
+            ),
+            (name, pairPotentialProperties)
+        );
+
+
+    // Selectors
+
+        //- Return a reference to the selected viscosity model
+        static autoPtr<pairPotential> New
+        (
+            const word& name,
+            const dictionary& pairPotentialProperties
+        );
+
+
     // Constructors
 
-        //- Construct null
-        pairPotential();
-
-        //- Construct from dictionary
-        pairPotential(const dictionary& pPDict);
-
         //- Construct from components
         pairPotential
         (
-            const scalar m,
-            const scalar gamma,
-            const scalar rm,
-            const scalar epsilon,
-            const scalar rCut,
-            const scalar rMin,
-            const scalar dr
+            const word& name,
+            const dictionary& pairPotentialProperties
         );
 
 
     // Destructor
 
-        virtual ~pairPotential();
+        virtual ~pairPotential()
+        {}
 
 
     // Member Functions
 
-        // Access
+        void setLookupTables();
 
-            inline scalar m() const;
+        inline scalar rMin() const;
 
-            inline scalar gamma() const ;
+        inline scalar dr() const;
 
-            inline scalar rm() const;
+        inline scalar rCut() const;
 
-            inline scalar epsilon() const;
+        inline scalar rCutSqr() const;
 
-            inline scalar rCut() const;
+        scalar energyLookup (const scalar r) const;
 
-            inline scalar rCutSqr() const;
+        scalar forceLookup (const scalar r) const;
 
-            inline scalar rMin() const;
+        List<Pair<scalar> > energyTable() const;
 
-            inline scalar dr() const;
+        List<Pair<scalar> > forceTable() const;
 
+        inline bool writeTables() const;
 
-        // Write
+        virtual scalar unscaledEnergy (const scalar r) const = 0;
 
-            virtual void write(Ostream&) const;
+        scalar scaledEnergy(const scalar r) const;
 
-            scalar n(const scalar rIJMag) const;
-
-            scalar force(const scalar rIJMag) const;
-
-            scalar forceLookup(const scalar rIJMag) const;
-
-            List<Pair<scalar> > forceTable() const;
-
-            scalar energy(const scalar rIJMag) const;
-
-            scalar energyLookup(const scalar rIJMag) const;
-
-            List<Pair<scalar> > energyTable() const;
-
-
-    // Friend Operators
-
-        inline friend bool operator==
+        scalar energyDerivative
         (
-            const pairPotential& a,
-            const pairPotential& b
-        );
+            const scalar r,
+            const bool scaledEnergyDerivative = true
+        ) const;
 
-        inline friend bool operator!=
-        (
-            const pairPotential& a,
-            const pairPotential& b
-        );
+        const dictionary& pairPotentialProperties() const
+        {
+            return pairPotentialProperties_;
+        }
 
+        bool writeEnergyAndForceTables(Ostream& os) const;
 
-    // IOstream Operators
-
-        friend Ostream& operator<<(Ostream&, const pairPotential&);
+        //- Read pairPotential dictionary
+        virtual bool read(const dictionary& pairPotentialProperties) = 0;
 };
 
 
diff --git a/src/lagrangian/molecule/potentials/tetherPotential/tetherPotentialListI.H b/src/lagrangian/molecularDynamics/potential/pairPotential/basic/pairPotentialI.H
old mode 100755
new mode 100644
similarity index 78%
rename from src/lagrangian/molecule/potentials/tetherPotential/tetherPotentialListI.H
rename to src/lagrangian/molecularDynamics/potential/pairPotential/basic/pairPotentialI.H
index 4f89783918..67dbbfd253
--- a/src/lagrangian/molecule/potentials/tetherPotential/tetherPotentialListI.H
+++ b/src/lagrangian/molecularDynamics/potential/pairPotential/basic/pairPotentialI.H
@@ -24,27 +24,35 @@ License
 
 \*---------------------------------------------------------------------------*/
 
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-
-namespace Foam
-{
-
 // * * * * * * * * * * * * * * * Member Functions  * * * * * * * * * * * * * //
 
-inline const List<label>& tetherPotentialList::tetherIds() const
+inline Foam::scalar Foam::pairPotential::rMin() const
 {
-    return tetherIds_;
+    return rMin_;
 }
 
 
-inline label tetherPotentialList::nTetherPotentials() const
+inline Foam::scalar Foam::pairPotential::dr() const
 {
-    return tetherIds_.size();
+    return dr_;
 }
 
 
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+inline Foam::scalar Foam::pairPotential::rCut() const
+{
+    return rCut_;
+}
 
-} // End namespace Foam
+
+inline Foam::scalar Foam::pairPotential::rCutSqr() const
+{
+    return rCutSqr_;
+}
+
+
+inline bool Foam::pairPotential::writeTables() const
+{
+    return writeTables_;
+}
 
 // ************************************************************************* //
diff --git a/src/lagrangian/molecule/potentials/pairPotential/derived/lennardJonesI.H b/src/lagrangian/molecularDynamics/potential/pairPotential/basic/pairPotentialIO.C
old mode 100755
new mode 100644
similarity index 65%
rename from src/lagrangian/molecule/potentials/pairPotential/derived/lennardJonesI.H
rename to src/lagrangian/molecularDynamics/potential/pairPotential/basic/pairPotentialIO.C
index 4e3a1a2f27..79ab55e737
--- a/src/lagrangian/molecule/potentials/pairPotential/derived/lennardJonesI.H
+++ b/src/lagrangian/molecularDynamics/potential/pairPotential/basic/pairPotentialIO.C
@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 1991-2005 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 1991-2007 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
@@ -24,46 +24,30 @@ License
 
 \*---------------------------------------------------------------------------*/
 
-namespace Foam
-{
+#include "pairPotential.H"
+#include "IOstreams.H"
 
-// * * * * * * * * * * * * * * * Member Functions  * * * * * * * * * * * * * //
-
-inline const word& pairPotential::pairPotentialName() const
+bool Foam::pairPotential::writeEnergyAndForceTables(Ostream& os) const
 {
-    return pairPotentialName_;
+    Info<< "Writing energy and force tables to file for potential "
+        << name_ << endl;
+
+    List< Pair <scalar> > eTab(energyTable());
+
+    List< Pair <scalar> > fTab(forceTable());
+
+    forAll(eTab, e)
+    {
+        os<< eTab[e].first()
+          << token::SPACE
+          << eTab[e].second()
+          << token::SPACE
+          << fTab[e].second()
+          << nl;
+    }
+
+    return os.good();
 }
 
 
-inline const word& pairPotential::pairPotentialType() const
-{
-    return pairPotentialType_;
-}
-
-
-inline scalar pairPotential::sigma() const
-{
-    return sigma_;
-}
-
-
-inline scalar pairPotential::epsilon() const
-{
-    return epsilon_;
-}
-
-
-inline scalar pairPotential::rCut() const
-{
-    return rCut_;
-}
-
-
-inline scalar pairPotential::rCutSqr() const
-{
-    return rCutSqr_;
-}
-
-} // End namespace Foam
-
 // ************************************************************************* //
diff --git a/src/lagrangian/molecularDynamics/potential/pairPotential/derived/azizChen/azizChen.C b/src/lagrangian/molecularDynamics/potential/pairPotential/derived/azizChen/azizChen.C
new file mode 100644
index 0000000000..b9cbbb1e54
--- /dev/null
+++ b/src/lagrangian/molecularDynamics/potential/pairPotential/derived/azizChen/azizChen.C
@@ -0,0 +1,125 @@
+/*---------------------------------------------------------------------------*\
+  =========                 |
+  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
+   \\    /   O peration     |
+    \\  /    A nd           | Copyright (C) 1991-2007 OpenCFD Ltd.
+     \\/     M anipulation  |
+-------------------------------------------------------------------------------
+License
+    This file is part of OpenFOAM.
+
+    OpenFOAM is free software; you can redistribute it and/or modify it
+    under the terms of the GNU General Public License as published by the
+    Free Software Foundation; either version 2 of the License, or (at your
+    option) any later version.
+
+    OpenFOAM is distributed in the hope that it will be useful, but WITHOUT
+    ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+    FITNESS FOR A PARTICULAR PURPOSE.  See the GNU General Public License
+    for more details.
+
+    You should have received a copy of the GNU General Public License
+    along with OpenFOAM; if not, write to the Free Software Foundation,
+    Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
+
+\*---------------------------------------------------------------------------*/
+
+#include "azizChen.H"
+#include "addToRunTimeSelectionTable.H"
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+namespace Foam
+{
+namespace pairPotentials
+{
+
+// * * * * * * * * * * * * * * Static Data Members * * * * * * * * * * * * * //
+
+defineTypeNameAndDebug(azizChen, 0);
+
+addToRunTimeSelectionTable
+(
+    pairPotential,
+    azizChen,
+    dictionary
+);
+
+// * * * * * * * * * * * * Private Member Functions  * * * * * * * * * * * * //
+
+
+// * * * * * * * * * * * * * * * * Constructors  * * * * * * * * * * * * * * //
+
+azizChen::azizChen
+(
+    const word& name,
+    const dictionary& azizChen
+)
+:
+    pairPotential(name, azizChen),
+    azizChenCoeffs_(azizChen.subDict(typeName + "Coeffs")),
+    epsilon_(readScalar(azizChenCoeffs_.lookup("epsilon"))),
+    rm_(readScalar(azizChenCoeffs_.lookup("rm"))),
+    A_(readScalar(azizChenCoeffs_.lookup("A"))),
+    alpha_(readScalar(azizChenCoeffs_.lookup("alpha"))),
+    C6_(readScalar(azizChenCoeffs_.lookup("C6"))),
+    C8_(readScalar(azizChenCoeffs_.lookup("C8"))),
+    C10_(readScalar(azizChenCoeffs_.lookup("C10"))),
+    D_(readScalar(azizChenCoeffs_.lookup("D"))),
+    gamma_(readScalar(azizChenCoeffs_.lookup("gamma")))
+{
+    setLookupTables();
+}
+
+// * * * * * * * * * * * * * * Member Functions  * * * * * * * * * * * * * * //
+
+scalar azizChen::unscaledEnergy(const scalar r) const
+{
+    scalar x = r/rm_;
+
+    scalar F = 1.0;
+
+    if (x < D_)
+    {
+        F = exp(-pow(((D_ / x) - 1.0),2));
+    }
+
+    return epsilon_ *
+    (
+        A_ * Foam::pow(x, gamma_) * exp(-alpha_ * x)
+      - (
+            (C6_/ Foam::pow(x, 6))
+          + (C8_/ Foam::pow(x, 8))
+          + (C10_/ Foam::pow(x, 10))
+        )
+      * F
+    );
+}
+
+
+bool azizChen::read(const dictionary& azizChen)
+{
+    pairPotential::read(azizChen);
+
+    azizChenCoeffs_ = azizChen.subDict(typeName + "Coeffs");
+
+    azizChenCoeffs_.lookup("epsilon") >> epsilon_;
+    azizChenCoeffs_.lookup("rm") >> rm_;
+    azizChenCoeffs_.lookup("A") >> A_;
+    azizChenCoeffs_.lookup("alpha") >> alpha_;
+    azizChenCoeffs_.lookup("C6") >> C6_;
+    azizChenCoeffs_.lookup("C8") >> C8_;
+    azizChenCoeffs_.lookup("C10") >> C10_;
+    azizChenCoeffs_.lookup("D") >> D_;
+    azizChenCoeffs_.lookup("gamma") >> gamma_;
+    
+    return true;
+}
+
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+} // End namespace pairPotentials
+} // End namespace Foam
+
+// ************************************************************************* //
diff --git a/src/lagrangian/molecularDynamics/potential/pairPotential/derived/azizChen/azizChen.H b/src/lagrangian/molecularDynamics/potential/pairPotential/derived/azizChen/azizChen.H
new file mode 100644
index 0000000000..e21dd76645
--- /dev/null
+++ b/src/lagrangian/molecularDynamics/potential/pairPotential/derived/azizChen/azizChen.H
@@ -0,0 +1,126 @@
+/*---------------------------------------------------------------------------*\
+  =========                 |
+  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
+   \\    /   O peration     |
+    \\  /    A nd           | Copyright (C) 1991-2007 OpenCFD Ltd.
+     \\/     M anipulation  |
+-------------------------------------------------------------------------------
+License
+    This file is part of OpenFOAM.
+
+    OpenFOAM is free software; you can redistribute it and/or modify it
+    under the terms of the GNU General Public License as published by the
+    Free Software Foundation; either version 2 of the License, or (at your
+    option) any later version.
+
+    OpenFOAM is distributed in the hope that it will be useful, but WITHOUT
+    ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+    FITNESS FOR A PARTICULAR PURPOSE.  See the GNU General Public License
+    for more details.
+
+    You should have received a copy of the GNU General Public License
+    along with OpenFOAM; if not, write to the Free Software Foundation,
+    Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
+
+Class
+    Foam::pairPotentials::azizChen
+
+Description
+
+    From:
+
+    @article{MA_Aziz_Chen,
+    author = {R. A. Aziz and H. H. Chen},
+    collaboration = {},
+    title = {An accurate intermolecular potential for argon},
+    publisher = {AIP},
+    year = {1977},
+    journal = {The Journal of Chemical Physics},
+    volume = {67},
+    number = {12},
+    pages = {5719-5726},
+    url = {http://link.aip.org/link/?JCP/67/5719/1},
+    doi = {10.1063/1.434827}
+    }
+
+SourceFiles
+    azizChen.C
+
+\*---------------------------------------------------------------------------*/
+
+#ifndef azizChen_H
+#define azizChen_H
+
+#include "pairPotential.H"
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+namespace Foam
+{
+
+namespace pairPotentials
+{
+
+/*---------------------------------------------------------------------------*\
+                           Class azizChen Declaration
+\*---------------------------------------------------------------------------*/
+
+class azizChen
+:
+    public pairPotential
+{
+    // Private data
+
+        dictionary azizChenCoeffs_;
+
+        scalar epsilon_;
+        scalar rm_;
+        scalar A_;
+        scalar alpha_;
+        scalar C6_;
+        scalar C8_;
+        scalar C10_;
+        scalar D_;
+        scalar gamma_;
+
+public:
+
+    //- Runtime type information
+    TypeName("azizChen");
+
+
+    // Constructors
+
+        //- Construct from components
+        azizChen
+        (
+            const word& name,
+            const dictionary& pairPotentialProperties
+        );
+
+
+    // Destructor
+
+        ~azizChen()
+        {}
+
+
+    // Member Functions
+
+        scalar unscaledEnergy(const scalar r) const;
+
+        //- Read transportProperties dictionary
+        bool read(const dictionary& pairPotentialProperties);
+};
+
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+} // End namespace pairPotentials
+} // End namespace Foam
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+#endif
+
+// ************************************************************************* //
diff --git a/src/lagrangian/molecularDynamics/potential/pairPotential/derived/lennardJones/lennardJones.C b/src/lagrangian/molecularDynamics/potential/pairPotential/derived/lennardJones/lennardJones.C
new file mode 100644
index 0000000000..8b81ff0c1e
--- /dev/null
+++ b/src/lagrangian/molecularDynamics/potential/pairPotential/derived/lennardJones/lennardJones.C
@@ -0,0 +1,99 @@
+/*---------------------------------------------------------------------------*\
+  =========                 |
+  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
+   \\    /   O peration     |
+    \\  /    A nd           | Copyright (C) 1991-2007 OpenCFD Ltd.
+     \\/     M anipulation  |
+-------------------------------------------------------------------------------
+License
+    This file is part of OpenFOAM.
+
+    OpenFOAM is free software; you can redistribute it and/or modify it
+    under the terms of the GNU General Public License as published by the
+    Free Software Foundation; either version 2 of the License, or (at your
+    option) any later version.
+
+    OpenFOAM is distributed in the hope that it will be useful, but WITHOUT
+    ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+    FITNESS FOR A PARTICULAR PURPOSE.  See the GNU General Public License
+    for more details.
+
+    You should have received a copy of the GNU General Public License
+    along with OpenFOAM; if not, write to the Free Software Foundation,
+    Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
+
+\*---------------------------------------------------------------------------*/
+
+#include "lennardJones.H"
+#include "addToRunTimeSelectionTable.H"
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+namespace Foam
+{
+namespace pairPotentials
+{
+
+// * * * * * * * * * * * * * * Static Data Members * * * * * * * * * * * * * //
+
+defineTypeNameAndDebug(lennardJones, 0);
+
+addToRunTimeSelectionTable
+(
+    pairPotential,
+    lennardJones,
+    dictionary
+);
+
+// * * * * * * * * * * * * Private Member Functions  * * * * * * * * * * * * //
+
+
+// * * * * * * * * * * * * * * * * Constructors  * * * * * * * * * * * * * * //
+
+lennardJones::lennardJones
+(
+    const word& name,
+    const dictionary& pairPotentialProperties
+)
+:
+    pairPotential(name, pairPotentialProperties),
+    lennardJonesCoeffs_(pairPotentialProperties.subDict(typeName + "Coeffs")),
+    sigma_(readScalar(lennardJonesCoeffs_.lookup("sigma"))),
+    epsilon_(readScalar(lennardJonesCoeffs_.lookup("epsilon")))
+{
+    setLookupTables();
+}
+
+// * * * * * * * * * * * * * * Member Functions  * * * * * * * * * * * * * * //
+
+scalar lennardJones::unscaledEnergy(const scalar r) const
+{
+    // (rIJ/sigma)^-2
+    scalar ir2 = (sigma_/r)*(sigma_/r);
+
+    // (rIJ/sigma)^-6
+    scalar ir6 = ir2*ir2*ir2;
+
+    return 4.0 * epsilon_*(ir6*(ir6 - 1.0));
+}
+
+
+bool lennardJones::read(const dictionary& pairPotentialProperties)
+{
+    pairPotential::read(pairPotentialProperties);
+
+    lennardJonesCoeffs_ = pairPotentialProperties.subDict(typeName + "Coeffs");
+
+    lennardJonesCoeffs_.lookup("sigma") >> sigma_;
+    lennardJonesCoeffs_.lookup("epsilon") >> epsilon_;
+
+    return true;
+}
+
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+} // End namespace pairPotentials
+} // End namespace Foam
+
+// ************************************************************************* //
diff --git a/src/lagrangian/molecularDynamics/potential/pairPotential/derived/lennardJones/lennardJones.H b/src/lagrangian/molecularDynamics/potential/pairPotential/derived/lennardJones/lennardJones.H
new file mode 100644
index 0000000000..42cc62adba
--- /dev/null
+++ b/src/lagrangian/molecularDynamics/potential/pairPotential/derived/lennardJones/lennardJones.H
@@ -0,0 +1,103 @@
+/*---------------------------------------------------------------------------*\
+  =========                 |
+  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
+   \\    /   O peration     |
+    \\  /    A nd           | Copyright (C) 1991-2007 OpenCFD Ltd.
+     \\/     M anipulation  |
+-------------------------------------------------------------------------------
+License
+    This file is part of OpenFOAM.
+
+    OpenFOAM is free software; you can redistribute it and/or modify it
+    under the terms of the GNU General Public License as published by the
+    Free Software Foundation; either version 2 of the License, or (at your
+    option) any later version.
+
+    OpenFOAM is distributed in the hope that it will be useful, but WITHOUT
+    ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+    FITNESS FOR A PARTICULAR PURPOSE.  See the GNU General Public License
+    for more details.
+
+    You should have received a copy of the GNU General Public License
+    along with OpenFOAM; if not, write to the Free Software Foundation,
+    Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
+
+Class
+    Foam::pairPotentials::lennardJones
+
+Description
+
+
+SourceFiles
+    lennardJones.C
+
+\*---------------------------------------------------------------------------*/
+
+#ifndef lennardJones_H
+#define lennardJones_H
+
+#include "pairPotential.H"
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+namespace Foam
+{
+namespace pairPotentials
+{
+
+/*---------------------------------------------------------------------------*\
+                           Class lennardJones Declaration
+\*---------------------------------------------------------------------------*/
+
+class lennardJones
+:
+    public pairPotential
+{
+    // Private data
+
+        dictionary lennardJonesCoeffs_;
+
+        scalar sigma_;
+        scalar epsilon_;
+
+public:
+
+    //- Runtime type information
+    TypeName("lennardJones");
+
+
+    // Constructors
+
+        //- Construct from components
+        lennardJones
+        (
+            const word& name,
+            const dictionary& pairPotentialProperties
+        );
+
+
+    // Destructor
+
+        ~lennardJones()
+        {}
+
+
+    // Member Functions
+
+        scalar unscaledEnergy(const scalar r) const;
+
+        //- Read transportProperties dictionary
+        bool read(const dictionary& pairPotentialProperties);
+};
+
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+} // End namespace pairPotentials
+} // End namespace Foam
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+#endif
+
+// ************************************************************************* //
diff --git a/src/lagrangian/molecularDynamics/potential/pairPotential/derived/maitlandSmith/maitlandSmith.C b/src/lagrangian/molecularDynamics/potential/pairPotential/derived/maitlandSmith/maitlandSmith.C
new file mode 100644
index 0000000000..4915f2a1fd
--- /dev/null
+++ b/src/lagrangian/molecularDynamics/potential/pairPotential/derived/maitlandSmith/maitlandSmith.C
@@ -0,0 +1,103 @@
+/*---------------------------------------------------------------------------*\
+  =========                 |
+  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
+   \\    /   O peration     |
+    \\  /    A nd           | Copyright (C) 1991-2007 OpenCFD Ltd.
+     \\/     M anipulation  |
+-------------------------------------------------------------------------------
+License
+    This file is part of OpenFOAM.
+
+    OpenFOAM is free software; you can redistribute it and/or modify it
+    under the terms of the GNU General Public License as published by the
+    Free Software Foundation; either version 2 of the License, or (at your
+    option) any later version.
+
+    OpenFOAM is distributed in the hope that it will be useful, but WITHOUT
+    ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+    FITNESS FOR A PARTICULAR PURPOSE.  See the GNU General Public License
+    for more details.
+
+    You should have received a copy of the GNU General Public License
+    along with OpenFOAM; if not, write to the Free Software Foundation,
+    Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
+
+\*---------------------------------------------------------------------------*/
+
+#include "maitlandSmith.H"
+#include "addToRunTimeSelectionTable.H"
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+namespace Foam
+{
+namespace pairPotentials
+{
+
+// * * * * * * * * * * * * * * Static Data Members * * * * * * * * * * * * * //
+
+defineTypeNameAndDebug(maitlandSmith, 0);
+
+addToRunTimeSelectionTable
+(
+    pairPotential,
+    maitlandSmith,
+    dictionary
+);
+
+// * * * * * * * * * * * * Private Member Functions  * * * * * * * * * * * * //
+
+
+// * * * * * * * * * * * * * * * * Constructors  * * * * * * * * * * * * * * //
+
+maitlandSmith::maitlandSmith
+(
+    const word& name,
+    const dictionary& maitlandSmith
+)
+:
+    pairPotential(name, maitlandSmith),
+    maitlandSmithCoeffs_(maitlandSmith.subDict(typeName + "Coeffs")),
+    m_(readScalar(maitlandSmithCoeffs_.lookup("m"))),
+    gamma_(readScalar(maitlandSmithCoeffs_.lookup("gamma"))),
+    rm_(readScalar(maitlandSmithCoeffs_.lookup("rm"))),
+    epsilon_(readScalar(maitlandSmithCoeffs_.lookup("epsilon")))
+{
+    setLookupTables();
+}
+
+// * * * * * * * * * * * * * * Member Functions  * * * * * * * * * * * * * * //
+
+scalar maitlandSmith::unscaledEnergy(const scalar r) const
+{
+    scalar nr = (m_ + gamma_*(r/rm_ - 1.0));
+
+    return epsilon_
+       *(
+            (6.0 / (nr - 6.0))*Foam::pow(r/rm_, -nr)
+          - (nr / (nr - 6.0))*Foam::pow(r/rm_, -6)
+        );
+}
+
+
+bool maitlandSmith::read(const dictionary& maitlandSmith)
+{
+    pairPotential::read(maitlandSmith);
+
+    maitlandSmithCoeffs_ = maitlandSmith.subDict(typeName + "Coeffs");
+
+    maitlandSmithCoeffs_.lookup("m") >> m_;
+    maitlandSmithCoeffs_.lookup("gamma") >> gamma_;
+    maitlandSmithCoeffs_.lookup("rm") >> rm_;
+    maitlandSmithCoeffs_.lookup("epsilon") >> epsilon_;
+    
+    return true;
+}
+
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+} // End namespace pairPotentials
+} // End namespace Foam
+
+// ************************************************************************* //
diff --git a/src/lagrangian/molecularDynamics/potential/pairPotential/derived/maitlandSmith/maitlandSmith.H b/src/lagrangian/molecularDynamics/potential/pairPotential/derived/maitlandSmith/maitlandSmith.H
new file mode 100644
index 0000000000..e36db4f7fa
--- /dev/null
+++ b/src/lagrangian/molecularDynamics/potential/pairPotential/derived/maitlandSmith/maitlandSmith.H
@@ -0,0 +1,127 @@
+/*---------------------------------------------------------------------------*\
+  =========                 |
+  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
+   \\    /   O peration     |
+    \\  /    A nd           | Copyright (C) 1991-2007 OpenCFD Ltd.
+     \\/     M anipulation  |
+-------------------------------------------------------------------------------
+License
+    This file is part of OpenFOAM.
+
+    OpenFOAM is free software; you can redistribute it and/or modify it
+    under the terms of the GNU General Public License as published by the
+    Free Software Foundation; either version 2 of the License, or (at your
+    option) any later version.
+
+    OpenFOAM is distributed in the hope that it will be useful, but WITHOUT
+    ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+    FITNESS FOR A PARTICULAR PURPOSE.  See the GNU General Public License
+    for more details.
+
+    You should have received a copy of the GNU General Public License
+    along with OpenFOAM; if not, write to the Free Software Foundation,
+    Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
+
+Class
+    Foam::pairPotentials::maitlandSmith
+
+Description
+
+    From:
+
+    @ARTICLE{MA_Maitland_Smith,
+    author = {{Maitland}, G.~C. and {Smith}, E.~B.},
+    title = {A simplified representation of intermolecular potential energy},
+    journal = {Chemical Physics Letters},
+    year = 1973,
+    month = oct,
+    volume = 22,
+    pages = {443-446},
+    adsurl = {http://adsabs.harvard.edu/abs/1973CPL....22..443M},
+    adsnote = {Provided by the SAO/NASA Astrophysics Data System}
+    }
+
+    Parameters for other monoatomics from:
+    @BOOK{MD_Maitland_Rigby_Smith_Wakeham,
+    AUTHOR =       {Geoffrey C. Maitland and Maurice Rigby and E. Brian Smith and William A. Wakeham},
+    TITLE =        {Intermolecular Forces: Their Origin and Determination},
+    PUBLISHER =    {Oxford University Press},
+    YEAR =         {1981}
+    }
+
+SourceFiles
+    maitlandSmith.C
+
+\*---------------------------------------------------------------------------*/
+
+#ifndef maitlandSmith_H
+#define maitlandSmith_H
+
+#include "pairPotential.H"
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+namespace Foam
+{
+
+namespace pairPotentials
+{
+
+/*---------------------------------------------------------------------------*\
+                           Class maitlandSmith Declaration
+\*---------------------------------------------------------------------------*/
+
+class maitlandSmith
+:
+    public pairPotential
+{
+    // Private data
+
+        dictionary maitlandSmithCoeffs_;
+
+        scalar m_;
+        scalar gamma_;
+        scalar rm_;
+        scalar epsilon_;
+
+public:
+
+    //- Runtime type information
+    TypeName("maitlandSmith");
+
+
+    // Constructors
+
+        //- Construct from components
+        maitlandSmith
+        (
+            const word& name,
+            const dictionary& pairPotentialProperties
+        );
+
+
+    // Destructor
+
+        ~maitlandSmith()
+        {}
+
+
+    // Member Functions
+
+        scalar unscaledEnergy(const scalar r) const;
+
+        //- Read transportProperties dictionary
+        bool read(const dictionary& pairPotentialProperties);
+};
+
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+} // End namespace pairPotentials
+} // End namespace Foam
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+#endif
+
+// ************************************************************************* //
diff --git a/src/lagrangian/molecularDynamics/potential/pairPotential/pairPotentialList/pairPotentialList.C b/src/lagrangian/molecularDynamics/potential/pairPotential/pairPotentialList/pairPotentialList.C
new file mode 100644
index 0000000000..d6dc4d0fe9
--- /dev/null
+++ b/src/lagrangian/molecularDynamics/potential/pairPotential/pairPotentialList/pairPotentialList.C
@@ -0,0 +1,281 @@
+/*---------------------------------------------------------------------------*\
+  =========                 |
+  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
+   \\    /   O peration     |
+    \\  /    A nd           | Copyright (C) 1991-2005 OpenCFD Ltd.
+     \\/     M anipulation  |
+-------------------------------------------------------------------------------
+License
+    This file is part of OpenFOAM.
+
+    OpenFOAM is free software; you can redistribute it and/or modify it
+    under the terms of the GNU General Public License as published by the
+    Free Software Foundation; either version 2 of the License, or (at your
+    option) any later version.
+
+    OpenFOAM is distributed in the hope that it will be useful, but WITHOUT
+    ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+    FITNESS FOR A PARTICULAR PURPOSE.  See the GNU General Public License
+    for more details.
+
+    You should have received a copy of the GNU General Public License
+    along with OpenFOAM; if not, write to the Free Software Foundation,
+    Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
+
+\*----------------------------------------------------------------------------*/
+
+#include "pairPotentialList.H"
+#include "OFstream.H"
+#include "Time.H"
+
+// * * * * * * * * * * * * * Private Member Functions  * * * * * * * * * * * //
+
+void Foam::pairPotentialList::readPairPotentialDict
+(
+    const dictionary& pairPotentialDict,
+    const polyMesh& mesh
+)
+{
+    Info<< nl << "Building pair potentials." << endl;
+
+    rCutMax_ = 0.0;
+
+    for (label a = 0; a < nIds(); ++a)
+    {
+        word idA = idList_[a];
+
+        for (label b = a; b < nIds(); ++b)
+        {
+            word idB = idList_[b];
+
+            word pairPotentialName;
+
+            if (a == b)
+            {
+                if (pairPotentialDict.found(idA + "-" + idB))
+                {
+                    pairPotentialName = idA + "-" + idB;
+                }
+                else
+                {
+                    FatalErrorIn("pairPotentialList::buildPotentials") << nl
+                            << "Pair pairPotential specification subDict "
+                            << idA << "-" << idB << " not found"
+                            << nl << abort(FatalError);
+                }
+            }
+            else
+            {
+                if (pairPotentialDict.found(idA + "-" + idB))
+                {
+                    pairPotentialName = idA + "-" + idB;
+                }
+
+                else if (pairPotentialDict.found(idB + "-" + idA))
+                {
+                    pairPotentialName = idB + "-" + idA;
+                }
+
+                else
+                {
+                    FatalErrorIn("pairPotentialList::buildPotentials") << nl
+                            << "Pair pairPotential specification subDict "
+                            << idA << "-" << idB << " or "
+                            << idB << "-" << idA << " not found"
+                            << nl << abort(FatalError);
+                }
+
+                if
+                (
+                    pairPotentialDict.found(idA+"-"+idB)
+                 && pairPotentialDict.found(idB+"-"+idA)
+                )
+                {
+                    FatalErrorIn("pairPotentialList::buildPotentials") << nl
+                            << "Pair pairPotential specification subDict "
+                            << idA << "-" << idB << " and "
+                            << idB << "-" << idA << " found multiple definition"
+                            << nl << abort(FatalError);
+                }
+            }
+
+            (*this).set
+            (
+                pairPotentialIndex(a, b),
+                pairPotential::New
+                (
+                    pairPotentialName,
+                    pairPotentialDict.subDict(pairPotentialName)
+                )
+            );
+
+            if ((*this)[pairPotentialIndex(a, b)].rCut() > rCutMax_)
+            {
+                rCutMax_ = (*this)[pairPotentialIndex(a, b)].rCut();
+            }
+
+            if ((*this)[pairPotentialIndex(a, b)].writeTables())
+            {
+                OFstream ppTabFile(mesh.time().path()/pairPotentialName);
+
+                if
+                (
+                    !(*this)[pairPotentialIndex(a, b)].writeEnergyAndForceTables
+                    (
+                        ppTabFile
+                    )
+                )
+                {
+                    FatalErrorIn("pairPotentialList::readPairPotentialDict")
+                        << "Failed writing to "
+                        << ppTabFile.name() << nl
+                        << abort(FatalError);
+                }
+            }
+        }
+    }
+
+    rCutMaxSqr_ = rCutMax_*rCutMax_;
+}
+
+// * * * * * * * * * * * * * * * * Constructors  * * * * * * * * * * * * * * //
+
+Foam::pairPotentialList::pairPotentialList()
+:
+    PtrList<pairPotential>(),
+    idList_()
+{}
+
+Foam::pairPotentialList::pairPotentialList
+(
+    const dictionary& idListDict,
+    const dictionary& pairPotentialDict,
+    const polyMesh& mesh
+)
+:
+    PtrList<pairPotential>(),
+    idList_()
+{
+    buildPotentials(idListDict, pairPotentialDict, mesh);
+}
+
+
+// * * * * * * * * * * * * * * * * Destructor  * * * * * * * * * * * * * * * //
+
+Foam::pairPotentialList::~pairPotentialList()
+{}
+
+
+// * * * * * * * * * * * * * * * Member Functions  * * * * * * * * * * * * * //
+
+void Foam::pairPotentialList::buildPotentials
+(
+    const dictionary& idListDict,
+    const dictionary& pairPotentialDict,
+    const polyMesh& mesh
+)
+{
+    idList_ = List<word>(idListDict.lookup("idList"));
+
+    setSize(((idList_.size()*(idList_.size() + 1))/2));
+
+    readPairPotentialDict(pairPotentialDict, mesh);
+}
+
+
+const Foam::pairPotential& Foam::pairPotentialList::pairPotentialFunction
+(
+    const label a,
+    const label b
+) const
+{
+    return (*this)[pairPotentialIndex (a, b)];
+}
+
+
+bool Foam::pairPotentialList::rCutSqr
+(
+    const label a,
+    const label b,
+    const scalar rIJMagSqr
+) const
+{
+    if (rIJMagSqr <= rCutSqr (a, b))
+    {
+        return true;
+    }
+    else
+    {
+        return false;
+    }
+}
+
+
+Foam::scalar Foam::pairPotentialList::rMin
+(
+    const label a,
+    const label b
+) const
+{
+    return (*this)[pairPotentialIndex (a, b)].rMin();
+}
+
+
+Foam::scalar Foam::pairPotentialList::dr
+(
+    const label a,
+    const label b
+) const
+{
+    return (*this)[pairPotentialIndex (a, b)].dr();
+}
+
+
+Foam::scalar Foam::pairPotentialList::rCutSqr
+(
+    const label a,
+    const label b
+) const
+{
+    return (*this)[pairPotentialIndex (a, b)].rCutSqr();
+}
+
+
+Foam::scalar Foam::pairPotentialList::rCut
+(
+    const label a,
+    const label b
+) const
+{
+    return (*this)[pairPotentialIndex (a, b)].rCut();
+}
+
+
+Foam::scalar Foam::pairPotentialList::force
+(
+    const label a,
+    const label b,
+    const scalar rIJMag
+) const
+{
+    scalar f = (*this)[pairPotentialIndex (a, b)].forceLookup(rIJMag);
+
+    return f;
+}
+
+
+Foam::scalar Foam::pairPotentialList::energy
+(
+    const label a,
+    const label b,
+    const scalar rIJMag
+) const
+{
+    scalar e = (*this)[pairPotentialIndex (a, b)].energyLookup(rIJMag);
+
+    return e;
+}
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+// ************************************************************************* //
diff --git a/src/lagrangian/molecule/potentials/pairPotential/basic/pairPotentialList.H b/src/lagrangian/molecularDynamics/potential/pairPotential/pairPotentialList/pairPotentialList.H
old mode 100755
new mode 100644
similarity index 76%
rename from src/lagrangian/molecule/potentials/pairPotential/basic/pairPotentialList.H
rename to src/lagrangian/molecularDynamics/potential/pairPotential/pairPotentialList/pairPotentialList.H
index 910ab5ab38..92526cf479
--- a/src/lagrangian/molecule/potentials/pairPotential/basic/pairPotentialList.H
+++ b/src/lagrangian/molecularDynamics/potential/pairPotential/pairPotentialList/pairPotentialList.H
@@ -36,7 +36,10 @@ SourceFiles
 #ifndef pairPotentialList_H
 #define pairPotentialList_H
 
+#include "PtrList.H"
+#include "word.H"
 #include "pairPotential.H"
+#include "polyMesh.H"
 
 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
@@ -49,12 +52,15 @@ namespace Foam
 
 class pairPotentialList
 :
-    public List<pairPotential>
+    public PtrList<pairPotential>
 {
     // Private data
 
-        label nIds_;
+        List<word> idList_;
+        
+        scalar rCutMax_;
 
+        scalar rCutMaxSqr_;
 
     // Private Member Functions
 
@@ -64,53 +70,54 @@ class pairPotentialList
             const label b
         ) const;
 
+        void readPairPotentialDict
+        (
+            const dictionary& pairPotentialDict,
+            const polyMesh& mesh
+        );
+
         //- Disallow default bitwise assignment
         void operator=(const pairPotentialList&);
 
         //- Disallow default bitwise copy construct
         pairPotentialList(const pairPotentialList&);
 
-
 public:
 
     // Constructors
 
-        //- Construct null
         pairPotentialList();
 
-        //- Construct from number of Ids
+        //- Construct from idList and potental dictionaries
         pairPotentialList
         (
-            const label nIds
+            const dictionary& idListDict,
+            const dictionary& pairPotentialDict,
+            const polyMesh& mesh
         );
 
-        //- Construct from components
-        pairPotentialList
-        (
-            const List<pairPotential>& pairPotentials,
-            const label nIds
-        );
-
-
     // Destructor
 
         ~pairPotentialList();
 
-
     // Member Functions
+        
+        void buildPotentials
+        (
+            const dictionary& idListDict,
+            const dictionary& pairPotentialDict,
+            const polyMesh& mesh
+        );
 
         // Access
 
+            inline const List<word>& idList() const;
+
             inline label nIds() const;
 
-            void setSizeAndNIds (const label);
+            inline scalar rCutMax() const;
 
-            void addPotential
-            (
-                const label a,
-                const label b,
-                const pairPotential& pot
-            );
+            inline scalar rCutMaxSqr() const;
 
             const pairPotential& pairPotentialFunction
             (
@@ -126,17 +133,13 @@ public:
                 const scalar rIJMagSqr
             ) const;
 
-            scalar rCutSqr
-            (
-                const label a,
-                const label b
-            ) const;
+            scalar rMin (const label a, const label b) const;
 
-            scalar rCut
-            (
-                const label a,
-                const label b
-            ) const;
+            scalar dr (const label a, const label b) const;
+
+            scalar rCutSqr (const label a, const label b) const;
+
+            scalar rCut (const label a, const label b) const;
 
             scalar force
             (
diff --git a/src/lagrangian/molecularDynamics/potential/pairPotential/pairPotentialList/pairPotentialListI.H b/src/lagrangian/molecularDynamics/potential/pairPotential/pairPotentialList/pairPotentialListI.H
new file mode 100644
index 0000000000..1a9ff953b2
--- /dev/null
+++ b/src/lagrangian/molecularDynamics/potential/pairPotential/pairPotentialList/pairPotentialListI.H
@@ -0,0 +1,85 @@
+/*---------------------------------------------------------------------------*\
+  =========                 |
+  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
+   \\    /   O peration     |
+    \\  /    A nd           | Copyright (C) 1991-2005 OpenCFD Ltd.
+     \\/     M anipulation  |
+-------------------------------------------------------------------------------
+License
+    This file is part of OpenFOAM.
+
+    OpenFOAM is free software; you can redistribute it and/or modify it
+    under the terms of the GNU General Public License as published by the
+    Free Software Foundation; either version 2 of the License, or (at your
+    option) any later version.
+
+    OpenFOAM is distributed in the hope that it will be useful, but WITHOUT
+    ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+    FITNESS FOR A PARTICULAR PURPOSE.  See the GNU General Public License
+    for more details.
+
+    You should have received a copy of the GNU General Public License
+    along with OpenFOAM; if not, write to the Free Software Foundation,
+    Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
+
+\*---------------------------------------------------------------------------*/
+
+// * * * * * * * * * * * * * Private Member Functions  * * * * * * * * * * * //
+
+inline Foam::label Foam::pairPotentialList::pairPotentialIndex
+(
+    const label a,
+    const label b
+) const
+{
+    label index;
+
+    if (a < b)
+    {
+        index = a*(2*nIds() - a - 1)/2 + b;
+    }
+
+    else
+    {
+        index = b*(2*nIds() - b - 1)/2 + a;
+    }
+
+    if (index > size() - 1)
+    {
+        FatalErrorIn("Foam::pairPotentialList::pairPotentialIndex ")
+            << "Attempting to access a pairPotential with too high an index."
+            << nl << "a = " << a << ", b = " << b << ", index = " << index
+            << nl << "max index = " << size() - 1
+            << nl << abort(FatalError);
+    }
+
+    return index;
+}
+
+// * * * * * * * * * * * * * * * Member Functions  * * * * * * * * * * * * * //
+
+inline Foam::label Foam::pairPotentialList::nIds() const
+{
+    return idList_.size();
+}
+
+
+inline const Foam::List<Foam::word>& Foam::pairPotentialList::idList() const
+{
+    return idList_;
+}
+
+
+inline Foam::scalar Foam::pairPotentialList::rCutMax() const
+{
+    return rCutMax_;
+}
+
+
+inline Foam::scalar Foam::pairPotentialList::rCutMaxSqr() const
+{
+    return rCutMaxSqr_;
+}
+
+
+// ************************************************************************* //
diff --git a/src/lagrangian/molecularDynamics/potential/tetherPotential/basic/newTetherPotential.C b/src/lagrangian/molecularDynamics/potential/tetherPotential/basic/newTetherPotential.C
new file mode 100644
index 0000000000..d9aaf566fc
--- /dev/null
+++ b/src/lagrangian/molecularDynamics/potential/tetherPotential/basic/newTetherPotential.C
@@ -0,0 +1,75 @@
+/*---------------------------------------------------------------------------*\
+  =========                 |
+  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
+   \\    /   O peration     |
+    \\  /    A nd           | Copyright (C) 1991-2007 OpenCFD Ltd.
+     \\/     M anipulation  |
+-------------------------------------------------------------------------------
+License
+    This file is part of OpenFOAM.
+
+    OpenFOAM is free software; you can redistribute it and/or modify it
+    under the terms of the GNU General Public License as published by the
+    Free Software Foundation; either version 2 of the License, or (at your
+    option) any later version.
+
+    OpenFOAM is distributed in the hope that it will be useful, but WITHOUT
+    ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+    FITNESS FOR A PARTICULAR PURPOSE.  See the GNU General Public License
+    for more details.
+
+    You should have received a copy of the GNU General Public License
+    along with OpenFOAM; if not, write to the Free Software Foundation,
+    Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
+
+Class
+    tetherPotential
+
+\*---------------------------------------------------------------------------*/
+
+#include "tetherPotential.H"
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+namespace Foam
+{
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+autoPtr<tetherPotential> tetherPotential::New
+(
+    const word& name,
+    const dictionary& tetherPotentialProperties
+)
+{
+    word tetherPotentialTypeName(tetherPotentialProperties.lookup("tetherPotential"));
+
+    Info<< nl << "Selecting tether potential "
+        << tetherPotentialTypeName << " for "
+        << name << endl;
+
+    dictionaryConstructorTable::iterator cstrIter =
+        dictionaryConstructorTablePtr_->find(tetherPotentialTypeName);
+
+    if (cstrIter == dictionaryConstructorTablePtr_->end())
+    {
+        FatalErrorIn
+        (
+            "tetherPotential::New()"
+        )   << "Unknown tetherPotential type "
+            << tetherPotentialTypeName << endl << endl
+            << "Valid  tetherPotentials are : " << endl
+            << dictionaryConstructorTablePtr_->toc()
+            << exit(FatalError);
+    }
+
+    return autoPtr<tetherPotential>
+        (cstrIter()(name, tetherPotentialProperties));
+}
+
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+} // End namespace Foam
+
+// ************************************************************************* //
diff --git a/src/lagrangian/molecularDynamics/potential/tetherPotential/basic/tetherPotential.C b/src/lagrangian/molecularDynamics/potential/tetherPotential/basic/tetherPotential.C
new file mode 100644
index 0000000000..3e829493a8
--- /dev/null
+++ b/src/lagrangian/molecularDynamics/potential/tetherPotential/basic/tetherPotential.C
@@ -0,0 +1,67 @@
+/*---------------------------------------------------------------------------*\
+  =========                 |
+  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
+   \\    /   O peration     |
+    \\  /    A nd           | Copyright (C) 1991-2007 OpenCFD Ltd.
+     \\/     M anipulation  |
+-------------------------------------------------------------------------------
+License
+    This file is part of OpenFOAM.
+
+    OpenFOAM is free software; you can redistribute it and/or modify it
+    under the terms of the GNU General Public License as published by the
+    Free Software Foundation; either version 2 of the License, or (at your
+    option) any later version.
+
+    OpenFOAM is distributed in the hope that it will be useful, but WITHOUT
+    ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+    FITNESS FOR A PARTICULAR PURPOSE.  See the GNU General Public License
+    for more details.
+
+    You should have received a copy of the GNU General Public License
+    along with OpenFOAM; if not, write to the Free Software Foundation,
+    Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
+
+\*---------------------------------------------------------------------------*/
+
+#include "tetherPotential.H"
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+namespace Foam
+{
+
+// * * * * * * * * * * * * * * Static Data Members * * * * * * * * * * * * * //
+
+defineTypeNameAndDebug(tetherPotential, 0);
+defineRunTimeSelectionTable(tetherPotential, dictionary);
+
+// * * * * * * * * * * * * * * * * Constructors  * * * * * * * * * * * * * * //
+
+Foam::tetherPotential::tetherPotential
+(
+    const word& name,
+    const dictionary& tetherPotentialProperties
+)
+:
+    name_(name),
+    tetherPotentialProperties_(tetherPotentialProperties)
+{}
+
+
+// * * * * * * * * * * * * * * Member Functions  * * * * * * * * * * * * * * //
+
+
+bool Foam::tetherPotential::read(const dictionary& tetherPotentialProperties)
+{
+    tetherPotentialProperties_ = tetherPotentialProperties;
+
+    return true;
+}
+
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+} // End namespace Foam
+
+// ************************************************************************* //
diff --git a/src/lagrangian/molecularDynamics/potential/tetherPotential/basic/tetherPotential.H b/src/lagrangian/molecularDynamics/potential/tetherPotential/basic/tetherPotential.H
new file mode 100644
index 0000000000..48d6d2201a
--- /dev/null
+++ b/src/lagrangian/molecularDynamics/potential/tetherPotential/basic/tetherPotential.H
@@ -0,0 +1,144 @@
+/*---------------------------------------------------------------------------*\
+  =========                 |
+  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
+   \\    /   O peration     |
+    \\  /    A nd           | Copyright (C) 1991-2007 OpenCFD Ltd.
+     \\/     M anipulation  |
+-------------------------------------------------------------------------------
+License
+    This file is part of OpenFOAM.
+
+    OpenFOAM is free software; you can redistribute it and/or modify it
+    under the terms of the GNU General Public License as published by the
+    Free Software Foundation; either version 2 of the License, or (at your
+    option) any later version.
+
+    OpenFOAM is distributed in the hope that it will be useful, but WITHOUT
+    ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+    FITNESS FOR A PARTICULAR PURPOSE.  See the GNU General Public License
+    for more details.
+
+    You should have received a copy of the GNU General Public License
+    along with OpenFOAM; if not, write to the Free Software Foundation,
+    Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
+
+Class
+    Foam::tetherPotential
+
+Description
+
+SourceFiles
+    tetherPotential.C
+    newTetherPotential.C
+
+\*---------------------------------------------------------------------------*/
+
+#ifndef tetherPotential_H
+#define tetherPotential_H
+
+#include "IOdictionary.H"
+#include "typeInfo.H"
+#include "runTimeSelectionTables.H"
+#include "autoPtr.H"
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+namespace Foam
+{
+
+/*---------------------------------------------------------------------------*\
+                Class tetherPotential Declaration
+\*---------------------------------------------------------------------------*/
+
+class tetherPotential
+{
+
+protected:
+
+    // Protected data
+
+        word name_;
+        dictionary tetherPotentialProperties_;
+
+
+    // Private Member Functions
+
+        //- Disallow copy construct
+        tetherPotential(const tetherPotential&);
+
+        //- Disallow default bitwise assignment
+        void operator=(const tetherPotential&);
+
+
+public:
+
+    //- Runtime type information
+    TypeName("tetherPotential");
+
+
+    // Declare run-time constructor selection table
+
+        declareRunTimeSelectionTable
+        (
+            autoPtr,
+            tetherPotential,
+            dictionary,
+            (
+                const word& name,
+                const dictionary& tetherPotentialProperties
+            ),
+            (name, tetherPotentialProperties)
+        );
+
+
+    // Selectors
+
+        //- Return a reference to the selected viscosity model
+        static autoPtr<tetherPotential> New
+        (
+            const word& name,
+            const dictionary& tetherPotentialProperties
+        );
+
+
+    // Constructors
+
+        //- Construct from components
+        tetherPotential
+        (
+            const word& name,
+            const dictionary& tetherPotentialProperties
+        );
+
+
+    // Destructor
+
+        virtual ~tetherPotential()
+        {}
+
+
+    // Member Functions
+
+        virtual scalar energy (const scalar r) const = 0;
+
+        virtual scalar force (const scalar r) const = 0;
+
+        const dictionary& tetherPotentialProperties() const
+        {
+            return tetherPotentialProperties_;
+        }
+
+        //- Read tetherPotential dictionary
+        virtual bool read(const dictionary& tetherPotentialProperties) = 0;
+};
+
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+} // End namespace Foam
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+#endif
+
+// ************************************************************************* //
diff --git a/src/lagrangian/molecularDynamics/potential/tetherPotential/derived/harmonicSpring/harmonicSpring.C b/src/lagrangian/molecularDynamics/potential/tetherPotential/derived/harmonicSpring/harmonicSpring.C
new file mode 100644
index 0000000000..8c07d251d3
--- /dev/null
+++ b/src/lagrangian/molecularDynamics/potential/tetherPotential/derived/harmonicSpring/harmonicSpring.C
@@ -0,0 +1,98 @@
+/*---------------------------------------------------------------------------*\
+  =========                 |
+  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
+   \\    /   O peration     |
+    \\  /    A nd           | Copyright (C) 1991-2007 OpenCFD Ltd.
+     \\/     M anipulation  |
+-------------------------------------------------------------------------------
+License
+    This file is part of OpenFOAM.
+
+    OpenFOAM is free software; you can redistribute it and/or modify it
+    under the terms of the GNU General Public License as published by the
+    Free Software Foundation; either version 2 of the License, or (at your
+    option) any later version.
+
+    OpenFOAM is distributed in the hope that it will be useful, but WITHOUT
+    ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+    FITNESS FOR A PARTICULAR PURPOSE.  See the GNU General Public License
+    for more details.
+
+    You should have received a copy of the GNU General Public License
+    along with OpenFOAM; if not, write to the Free Software Foundation,
+    Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
+
+\*---------------------------------------------------------------------------*/
+
+#include "harmonicSpring.H"
+#include "addToRunTimeSelectionTable.H"
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+namespace Foam
+{
+namespace tetherPotentials
+{
+
+// * * * * * * * * * * * * * * Static Data Members * * * * * * * * * * * * * //
+
+defineTypeNameAndDebug(harmonicSpring, 0);
+
+addToRunTimeSelectionTable
+(
+    tetherPotential,
+    harmonicSpring,
+    dictionary
+);
+
+
+// * * * * * * * * * * * * * * * * Constructors  * * * * * * * * * * * * * * //
+
+harmonicSpring::harmonicSpring
+(
+    const word& name,
+    const dictionary& tetherPotentialProperties
+)
+:
+    tetherPotential(name, tetherPotentialProperties),
+    harmonicSpringCoeffs_
+    (
+        tetherPotentialProperties.subDict(typeName + "Coeffs")
+    ),
+    springConstant_(readScalar(harmonicSpringCoeffs_.lookup("springConstant")))
+{}
+
+
+// * * * * * * * * * * * * * * Member Functions  * * * * * * * * * * * * * * //
+
+scalar harmonicSpring::energy(const scalar r) const
+{
+    return 0.5*springConstant_*r*r;
+}
+
+
+scalar harmonicSpring::force(const scalar r) const
+{
+    return -springConstant_*r;
+}
+
+
+bool harmonicSpring::read(const dictionary& tetherPotentialProperties)
+{
+    tetherPotential::read(tetherPotentialProperties);
+
+    harmonicSpringCoeffs_ =
+        tetherPotentialProperties.subDict(typeName + "Coeffs");
+
+    harmonicSpringCoeffs_.lookup("springConstant") >> springConstant_;
+
+    return true;
+}
+
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+} // End namespace tetherPotentials
+} // End namespace Foam
+
+// ************************************************************************* //
diff --git a/src/lagrangian/molecularDynamics/potential/tetherPotential/derived/harmonicSpring/harmonicSpring.H b/src/lagrangian/molecularDynamics/potential/tetherPotential/derived/harmonicSpring/harmonicSpring.H
new file mode 100644
index 0000000000..d616e69fcb
--- /dev/null
+++ b/src/lagrangian/molecularDynamics/potential/tetherPotential/derived/harmonicSpring/harmonicSpring.H
@@ -0,0 +1,105 @@
+/*---------------------------------------------------------------------------*\
+  =========                 |
+  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
+   \\    /   O peration     |
+    \\  /    A nd           | Copyright (C) 1991-2007 OpenCFD Ltd.
+     \\/     M anipulation  |
+-------------------------------------------------------------------------------
+License
+    This file is part of OpenFOAM.
+
+    OpenFOAM is free software; you can redistribute it and/or modify it
+    under the terms of the GNU General Public License as published by the
+    Free Software Foundation; either version 2 of the License, or (at your
+    option) any later version.
+
+    OpenFOAM is distributed in the hope that it will be useful, but WITHOUT
+    ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+    FITNESS FOR A PARTICULAR PURPOSE.  See the GNU General Public License
+    for more details.
+
+    You should have received a copy of the GNU General Public License
+    along with OpenFOAM; if not, write to the Free Software Foundation,
+    Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
+
+Class
+    Foam::tetherPotentials::harmonicSpring
+
+Description
+
+
+SourceFiles
+    harmonicSpring.C
+
+\*---------------------------------------------------------------------------*/
+
+#ifndef harmonicSpring_H
+#define harmonicSpring_H
+
+#include "tetherPotential.H"
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+namespace Foam
+{
+namespace tetherPotentials
+{
+
+/*---------------------------------------------------------------------------*\
+                           Class harmonicSpring Declaration
+\*---------------------------------------------------------------------------*/
+
+class harmonicSpring
+:
+    public tetherPotential
+{
+    // Private data
+
+        dictionary harmonicSpringCoeffs_;
+
+        scalar springConstant_;
+
+
+public:
+
+    //- Runtime type information
+    TypeName("harmonicSpring");
+
+
+    // Constructors
+
+        //- Construct from components
+        harmonicSpring
+        (
+            const word& name,
+            const dictionary& tetherPotentialProperties
+        );
+
+
+    // Destructor
+
+        ~harmonicSpring()
+        {}
+
+
+    // Member Functions
+
+        scalar energy(const scalar r) const;
+
+        scalar force(const scalar r) const;
+
+        //- Read transportProperties dictionary
+        bool read(const dictionary& tetherPotentialProperties);
+};
+
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+} // End namespace tetherPotentials
+} // End namespace Foam
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+#endif
+
+// ************************************************************************* //
diff --git a/src/lagrangian/molecularDynamics/potential/tetherPotential/derived/restrainedHarmonicSpring/restrainedHarmonicSpring.C b/src/lagrangian/molecularDynamics/potential/tetherPotential/derived/restrainedHarmonicSpring/restrainedHarmonicSpring.C
new file mode 100644
index 0000000000..7baa584b30
--- /dev/null
+++ b/src/lagrangian/molecularDynamics/potential/tetherPotential/derived/restrainedHarmonicSpring/restrainedHarmonicSpring.C
@@ -0,0 +1,121 @@
+/*---------------------------------------------------------------------------*\
+  =========                 |
+  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
+   \\    /   O peration     |
+    \\  /    A nd           | Copyright (C) 1991-2007 OpenCFD Ltd.
+     \\/     M anipulation  |
+-------------------------------------------------------------------------------
+License
+    This file is part of OpenFOAM.
+
+    OpenFOAM is free software; you can redistribute it and/or modify it
+    under the terms of the GNU General Public License as published by the
+    Free Software Foundation; either version 2 of the License, or (at your
+    option) any later version.
+
+    OpenFOAM is distributed in the hope that it will be useful, but WITHOUT
+    ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+    FITNESS FOR A PARTICULAR PURPOSE.  See the GNU General Public License
+    for more details.
+
+    You should have received a copy of the GNU General Public License
+    along with OpenFOAM; if not, write to the Free Software Foundation,
+    Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
+
+\*---------------------------------------------------------------------------*/
+
+#include "restrainedHarmonicSpring.H"
+#include "addToRunTimeSelectionTable.H"
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+namespace Foam
+{
+namespace tetherPotentials
+{
+
+// * * * * * * * * * * * * * * Static Data Members * * * * * * * * * * * * * //
+
+defineTypeNameAndDebug(restrainedHarmonicSpring, 0);
+
+addToRunTimeSelectionTable
+(
+    tetherPotential,
+    restrainedHarmonicSpring,
+    dictionary
+);
+
+// * * * * * * * * * * * * Private Member Functions  * * * * * * * * * * * * //
+
+
+// * * * * * * * * * * * * * * * * Constructors  * * * * * * * * * * * * * * //
+
+restrainedHarmonicSpring::restrainedHarmonicSpring
+(
+    const word& name,
+    const dictionary& tetherPotentialProperties
+)
+:
+    tetherPotential(name, tetherPotentialProperties),
+    restrainedHarmonicSpringCoeffs_
+    (
+        tetherPotentialProperties.subDict(typeName + "Coeffs")
+    ),
+    springConstant_
+    (
+        readScalar(restrainedHarmonicSpringCoeffs_.lookup("springConstant"))
+    ),
+    rR_
+    (
+        readScalar(restrainedHarmonicSpringCoeffs_.lookup("rR"))
+    )
+{}
+
+// * * * * * * * * * * * * * * Member Functions  * * * * * * * * * * * * * * //
+
+scalar restrainedHarmonicSpring::energy(const scalar r) const
+{
+    if (r < rR_)
+    {
+        return 0.5 * springConstant_ * r * r;
+    }
+    else
+    {
+        return 0.5 * springConstant_ * rR_ * rR_
+            + springConstant_ * rR_ * (r - rR_);
+    }
+}
+
+scalar restrainedHarmonicSpring::force(const scalar r) const
+{
+    if (r < rR_)
+    {
+        return -springConstant_ * r;
+    }
+    else
+    {
+        return -springConstant_ * rR_;
+    }
+    
+}
+
+bool restrainedHarmonicSpring::read(const dictionary& tetherPotentialProperties)
+{
+    tetherPotential::read(tetherPotentialProperties);
+
+    restrainedHarmonicSpringCoeffs_ =
+        tetherPotentialProperties.subDict(typeName + "Coeffs");
+
+    restrainedHarmonicSpringCoeffs_.lookup("springConstant") >> springConstant_;
+    restrainedHarmonicSpringCoeffs_.lookup("rR") >> rR_;
+    
+    return true;
+}
+
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+} // End namespace tetherPotentials
+} // End namespace Foam
+
+// ************************************************************************* //
diff --git a/src/lagrangian/molecule/potentials/tetherPotential/tetherPotential.H b/src/lagrangian/molecularDynamics/potential/tetherPotential/derived/restrainedHarmonicSpring/restrainedHarmonicSpring.H
old mode 100755
new mode 100644
similarity index 57%
rename from src/lagrangian/molecule/potentials/tetherPotential/tetherPotential.H
rename to src/lagrangian/molecularDynamics/potential/tetherPotential/derived/restrainedHarmonicSpring/restrainedHarmonicSpring.H
index afa9a35e69..46441d131c
--- a/src/lagrangian/molecule/potentials/tetherPotential/tetherPotential.H
+++ b/src/lagrangian/molecularDynamics/potential/tetherPotential/derived/restrainedHarmonicSpring/restrainedHarmonicSpring.H
@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 1991-2005 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 1991-2007 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
@@ -23,103 +23,85 @@ License
     Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
 
 Class
-    Foam::tetherPotential
+    Foam::tetherPotentials::restrainedHarmonicSpring
 
 Description
 
+
 SourceFiles
-    tetherPotentialI.H
-    tetherPotential.C
+    restrainedHarmonicSpring.C
 
 \*---------------------------------------------------------------------------*/
 
-#ifndef tetherPotential_H
-#define tetherPotential_H
+#ifndef restrainedHarmonicSpring_H
+#define restrainedHarmonicSpring_H
 
-#include "vector.H"
+#include "tetherPotential.H"
 
 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
 namespace Foam
 {
+namespace tetherPotentials
+{
 
 /*---------------------------------------------------------------------------*\
-                       Class tetherPotential Declaration
+                           Class restrainedHarmonicSpring Declaration
 \*---------------------------------------------------------------------------*/
 
-class tetherPotential
+class restrainedHarmonicSpring
+:
+    public tetherPotential
 {
     // Private data
 
-        // At the moment this is hard coded to be a "harmonicSpring"
-        // potential.  In future use templated classes virtual functions,
-        // function pointers and all kinds of good stuff to make this a
-        // generic tether force,
-
-        word tetherPotentialName_;
-
-        word tetherPotentialType_;
+        dictionary restrainedHarmonicSpringCoeffs_;
 
         scalar springConstant_;
 
+        scalar rR_;
+
 
 public:
 
+    //- Runtime type information
+    TypeName("restrainedHarmonicSpring");
+
+
     // Constructors
 
-        //- Construct null
-        tetherPotential();
-
         //- Construct from components
-        tetherPotential
+        restrainedHarmonicSpring
         (
-            const word& tetherPotentialName,
-            const word& tetherPotentialType,
-            const scalar springConstant_
+            const word& name,
+            const dictionary& tetherPotentialProperties
         );
 
 
     // Destructor
 
-        virtual ~tetherPotential();
+        ~restrainedHarmonicSpring()
+        {}
 
 
     // Member Functions
 
-        // Access
+        scalar energy(const scalar r) const;
 
-            inline const word& tetherPotentialName() const;
+        scalar force(const scalar r) const;
 
-            inline const word& tetherPotentialType() const;
-
-            inline scalar springConstant() const;
-
-            scalar force(const scalar rITMag) const;
-
-            scalar energy(const scalar rITMag) const;
-
-
-        // Write
-
-            virtual void write(Ostream&) const;
-
-
-    // IOstream Operators
-
-        friend Ostream& operator<<(Ostream&, const tetherPotential&);
+        //- Read transportProperties dictionary
+        bool read(const dictionary& tetherPotentialProperties);
 };
 
 
 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
+} // End namespace tetherPotentials
 } // End namespace Foam
 
 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
-#include "tetherPotentialI.H"
-
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-
 #endif
 
 // ************************************************************************* //
diff --git a/src/lagrangian/molecule/potentials/tetherPotential/tetherPotentialList.C b/src/lagrangian/molecularDynamics/potential/tetherPotential/tetherPotentialList/tetherPotentialList.C
old mode 100755
new mode 100644
similarity index 50%
rename from src/lagrangian/molecule/potentials/tetherPotential/tetherPotentialList.C
rename to src/lagrangian/molecularDynamics/potential/tetherPotential/tetherPotentialList/tetherPotentialList.C
index ac32daf60f..2bec647564
--- a/src/lagrangian/molecule/potentials/tetherPotential/tetherPotentialList.C
+++ b/src/lagrangian/molecularDynamics/potential/tetherPotential/tetherPotentialList/tetherPotentialList.C
@@ -26,29 +26,57 @@ License
 
 #include "tetherPotentialList.H"
 
-namespace Foam
-{
-
 // * * * * * * * * * * * * * Private Member Functions  * * * * * * * * * * * //
 
-label tetherPotentialList::tetherPotentialIndex(const label a)
+void Foam::tetherPotentialList::readTetherPotentialDict
+(
+    const dictionary& tetherPotentialDict,
+    const List<word>& idList,
+    const List<label>& tetherIds
+)
 {
-    label index(findIndex(tetherIds_,a));
-
-    if (index == -1)
+    if (!tetherIds.size())
     {
-        FatalErrorIn
-        (
-            "Foam::tetherPotentialList::tetherPotentialIndex(const label a)"
-        )
-            << "Attempting to access a tetherPotential with an unknown id"
-            << abort(FatalError);
+        Info<< nl << "No tethered molecules found." << endl;
 
-        return 0;
+        idMap_.setSize(0);
     }
     else
     {
-        return index;
+        Info<< nl << "Building tether potentials." << endl;
+
+        idMap_ = List<label>(idList.size(), -1);
+
+        label tetherMapIndex = 0;
+
+        forAll(tetherIds, t)
+        {
+            const label tetherId = tetherIds[t];
+
+            word tetherPotentialName = idList[tetherId];
+
+            if (!tetherPotentialDict.found(tetherPotentialName))
+            {
+                FatalErrorIn("tetherPotentialList::readTetherPotentialDict")
+                        << nl << "tether potential specification subDict "
+                        << tetherPotentialName << " not found"
+                        << abort(FatalError);
+            }
+
+            this->set
+            (
+                tetherMapIndex,
+                tetherPotential::New
+                (
+                    tetherPotentialName,
+                    tetherPotentialDict.subDict(tetherPotentialName)
+                )
+            );
+
+            idMap_[tetherId] = tetherMapIndex;
+
+            tetherMapIndex++;
+        }
     }
 }
 
@@ -57,52 +85,62 @@ label tetherPotentialList::tetherPotentialIndex(const label a)
 
 Foam::tetherPotentialList::tetherPotentialList()
 :
-    List<tetherPotential> ()
+    PtrList<tetherPotential>(),
+    idMap_()
 {}
 
 
 Foam::tetherPotentialList::tetherPotentialList
 (
-    const List<label> tetherIds
+    const dictionary& idListDict,
+    const dictionary& tetherPotentialDict,
+    const List<label>& tetherIds
 )
 :
-    List<tetherPotential> (tetherIds.size()),
-    tetherIds_(tetherIds_)
-{}
+    PtrList<tetherPotential>(),
+    idMap_()
+{
+    buildPotentials(idListDict, tetherPotentialDict, tetherIds);
+}
 
 
 // * * * * * * * * * * * * * * * * Destructor  * * * * * * * * * * * * * * * //
 
-tetherPotentialList::~tetherPotentialList()
+Foam::tetherPotentialList::~tetherPotentialList()
 {}
 
 
 // * * * * * * * * * * * * * * * Member Functions  * * * * * * * * * * * * * //
 
-void tetherPotentialList::setSizeAndTetherIds (const List<label>& tetherIds)
-{
-    tetherIds_ = tetherIds;
-    setSize(tetherIds.size());
-}
-
-
-void tetherPotentialList::addPotential
+void Foam::tetherPotentialList::buildPotentials
 (
-    const label a,
-    const tetherPotential& pot
+    const dictionary& idListDict,
+    const dictionary& tetherPotentialDict,
+    const List<label>& tetherIds
 )
 {
-        (*this)[tetherPotentialIndex (a)] = pot;
+    setSize(tetherIds.size());
+
+    const List<word>& idList = List<word>(idListDict.lookup("idList"));
+
+    readTetherPotentialDict(tetherPotentialDict, idList, tetherIds);
 }
 
 
-tetherPotential& tetherPotentialList::tetherPotentialFunction (const label a)
+const Foam::tetherPotential& Foam::tetherPotentialList::tetherPotentialFunction
+(
+    const label a
+) const
 {
     return (*this)[tetherPotentialIndex (a)];
 }
 
 
-scalar tetherPotentialList::force (const label a, const scalar rITMag)
+Foam::scalar Foam::tetherPotentialList::force
+(
+    const label a,
+    const scalar rITMag
+) const
 {
     scalar f = (*this)[tetherPotentialIndex (a)].force(rITMag);
 
@@ -110,37 +148,17 @@ scalar tetherPotentialList::force (const label a, const scalar rITMag)
 }
 
 
-scalar tetherPotentialList::energy (const label a, const scalar rITMag)
+Foam::scalar Foam::tetherPotentialList::energy
+(
+    const label a,
+    const scalar rITMag
+) const
 {
     scalar e = (*this)[tetherPotentialIndex (a)].energy(rITMag);
 
     return e;
 }
 
-
-// * * * * * * * * * * * * * * * Member Operators  * * * * * * * * * * * * * //
-
-void tetherPotentialList::operator=(const tetherPotentialList& rhs)
-{
-    // Check for assignment to self
-    if (this == &rhs)
-    {
-        FatalErrorIn
-        (
-            "Foam::tetherPotentialList::operator="
-            "(const Foam::tetherPotentialList&)"
-        )   << "Attempted assignment to self"
-            << abort(FatalError);
-    }
-
-    List<tetherPotential>::operator=(rhs);
-
-    tetherIds_ = rhs.tetherIds();
-}
-
-
 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
-} // End namespace Foam
-
 // ************************************************************************* //
diff --git a/src/lagrangian/molecule/potentials/tetherPotential/tetherPotentialList.H b/src/lagrangian/molecularDynamics/potential/tetherPotential/tetherPotentialList/tetherPotentialList.H
old mode 100755
new mode 100644
similarity index 65%
rename from src/lagrangian/molecule/potentials/tetherPotential/tetherPotentialList.H
rename to src/lagrangian/molecularDynamics/potential/tetherPotential/tetherPotentialList/tetherPotentialList.H
index ebd24e57f0..f8e031d9aa
--- a/src/lagrangian/molecule/potentials/tetherPotential/tetherPotentialList.H
+++ b/src/lagrangian/molecularDynamics/potential/tetherPotential/tetherPotentialList/tetherPotentialList.H
@@ -28,7 +28,6 @@ Class
 Description
 
 SourceFiles
-    tetherPotentialListI.H
     tetherPotentialList.C
 
 \*---------------------------------------------------------------------------*/
@@ -36,7 +35,8 @@ SourceFiles
 #ifndef tetherPotentialList_H
 #define tetherPotentialList_H
 
-#include "ListOps.H"
+#include "PtrList.H"
+#include "word.H"
 #include "tetherPotential.H"
 
 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
@@ -45,21 +45,33 @@ namespace Foam
 {
 
 /*---------------------------------------------------------------------------*\
-                      Class tetherPotentialList Declaration
+                           Class tetherPotentialList Declaration
 \*---------------------------------------------------------------------------*/
 
 class tetherPotentialList
 :
-    public List<tetherPotential>
+    public PtrList<tetherPotential>
 {
     // Private data
 
-        List<label> tetherIds_;
-
+        List<label> idMap_;
 
     // Private Member Functions
 
-        label tetherPotentialIndex(const label a);
+        inline label tetherPotentialIndex
+        (
+            const label a
+        ) const;
+
+        void readTetherPotentialDict
+        (
+            const dictionary& tetherPotentialDict,
+            const List<word>& idList,
+            const List<label>& tetherIds
+        );
+
+        //- Disallow default bitwise assignment
+        void operator=(const tetherPotentialList&);
 
         //- Disallow default bitwise copy construct
         tetherPotentialList(const tetherPotentialList&);
@@ -69,44 +81,49 @@ public:
 
     // Constructors
 
-        //- Construct null
         tetherPotentialList();
 
-        //- Construct from list of tetherIDs
-        tetherPotentialList(const List<label> tetherIds);
-
+        //- Construct from idList and potental dictionaries
+        tetherPotentialList
+        (
+            const dictionary& idListDict,
+            const dictionary& tetherPotentialDict,
+            const List<label>& tetherIds
+        );
 
     // Destructor
 
         ~tetherPotentialList();
 
-
     // Member Functions
 
+        void buildPotentials
+        (
+            const dictionary& idListDict,
+            const dictionary& tetherPotentialDict,
+            const List<label>& tetherIds
+        );
+
         // Access
 
-            inline const List<label>& tetherIds() const;
+            inline const List<word>& idMap() const;
 
-            inline label nTetherPotentials() const;
+            const tetherPotential& tetherPotentialFunction
+            (
+                const label a
+            ) const;
 
-            void setSizeAndTetherIds (const List<label>&);
-
-            void addPotential
+            scalar force
             (
                 const label a,
-                const tetherPotential& pot
-            );
+                const scalar rIJMag
+            ) const;
 
-            tetherPotential& tetherPotentialFunction (const label a);
-
-            scalar force (const label a, const scalar rITMag);
-
-            scalar energy (const label a, const scalar rITMag);
-
-
-    // Member Operators
-
-        void operator=(const tetherPotentialList&);
+            scalar energy
+            (
+                const label a,
+                const scalar rIJMag
+            ) const;
 };
 
 
diff --git a/src/lagrangian/molecule/potentials/pairPotential/basic/pairPotentialListI.H b/src/lagrangian/molecularDynamics/potential/tetherPotential/tetherPotentialList/tetherPotentialListI.H
old mode 100755
new mode 100644
similarity index 77%
rename from src/lagrangian/molecule/potentials/pairPotential/basic/pairPotentialListI.H
rename to src/lagrangian/molecularDynamics/potential/tetherPotential/tetherPotentialList/tetherPotentialListI.H
index d58fa545df..7b461b652e
--- a/src/lagrangian/molecule/potentials/pairPotential/basic/pairPotentialListI.H
+++ b/src/lagrangian/molecularDynamics/potential/tetherPotential/tetherPotentialList/tetherPotentialListI.H
@@ -26,33 +26,28 @@ License
 
 // * * * * * * * * * * * * * Private Member Functions  * * * * * * * * * * * //
 
-inline Foam::label Foam::pairPotentialList::pairPotentialIndex
+inline Foam::label Foam::tetherPotentialList::tetherPotentialIndex
 (
-    const label a,
-    const label b
+    const label a
 ) const
 {
-    label index;
+    label index = idMap_[a];
 
-    if (a < b)
+    if (index == -1 || a >= idMap_.size())
     {
-        index = a*(2*nIds_ - a - 1)/2 + b;
-    }
+        FatalErrorIn
+        (
+            "Foam::tetherPotentialList::tetherPotentialIndex(const label a)"
+        )
+            << "Attempting to access an undefined tetherPotential."
+            << abort(FatalError);
 
+        return -1;
+    }
     else
     {
-        index = b*(2*nIds_ - b - 1)/2 + a;
+        return index;
     }
-
-    return index;
-}
-
-
-// * * * * * * * * * * * * * * * Member Functions  * * * * * * * * * * * * * //
-
-inline Foam::label Foam::pairPotentialList::nIds() const
-{
-    return nIds_;
 }
 
 
diff --git a/src/lagrangian/molecule/moleculeCloud/moleculeCloudBuildCellsFoundInRange.H b/src/lagrangian/molecule/moleculeCloud/moleculeCloudBuildCellsFoundInRange.H
deleted file mode 100755
index 16c58efea3..0000000000
--- a/src/lagrangian/molecule/moleculeCloud/moleculeCloudBuildCellsFoundInRange.H
+++ /dev/null
@@ -1,52 +0,0 @@
-forAll (pointsOnThisSegment, pS)
-{
-    const point& ptP = mesh_.points()[pointsOnThisSegment[pS]];
-
-    // Assessing real cells in range is only required on the 1st iteration
-    // because they do not change from iteration to iteration.
-
-    if (iterationNo == 0)
-    {
-        forAll (mesh_.points(), pointIIndex)
-        {
-
-            // Compare separation of ptP to all other points in the mesh,
-            // add unique reference to cell with any point within rCutMax_
-            // to realCellsFoundInRange.
-
-            const point& ptI(mesh_.points()[pointIIndex]);
-
-            if (magSqr(ptP - ptI) <= rCutMaxSqr)
-            {
-                const labelList& ptICells(mesh_.pointCells()[pointIIndex]);
-
-                forAll(ptICells, pIC)
-                {
-                    const label cellI(ptICells[pIC]);
-
-                    if(findIndex(realCellsFoundInRange, cellI) == -1)
-                    {
-                        realCellsFoundInRange.append(cellI);
-                    }
-                }
-            }
-        }
-    }
-
-    forAll(referredInteractionList, rIL)
-    {
-        const vectorList& refCellPoints =
-            referredInteractionList[rIL].vertexPositions();
-
-        forAll(refCellPoints, rCP)
-        {
-            if (magSqr(ptP - refCellPoints[rCP]) <= rCutMaxSqr)
-            {
-                if(findIndex(referredCellsFoundInRange, rIL) == -1)
-                {
-                    referredCellsFoundInRange.append(rIL);
-                }
-            }
-        }
-    }
-}
diff --git a/src/lagrangian/molecule/moleculeCloud/moleculeCloudReadMDParameters/moleculeCloudReadIdList.H b/src/lagrangian/molecule/moleculeCloud/moleculeCloudReadMDParameters/moleculeCloudReadIdList.H
deleted file mode 100755
index 8ddc55ed45..0000000000
--- a/src/lagrangian/molecule/moleculeCloud/moleculeCloudReadMDParameters/moleculeCloudReadIdList.H
+++ /dev/null
@@ -1,14 +0,0 @@
-IOdictionary idListDict
-(
-    IOobject
-    (
-        "idList",
-        mesh_.time().constant(),
-        mesh_,
-        IOobject::MUST_READ,
-        IOobject::NO_WRITE
-    )
-);
-
-idList_ = List<word>(idListDict.lookup("idList"));
-
diff --git a/src/lagrangian/molecule/moleculeCloud/moleculeCloudReadMDParameters/moleculeCloudReadMDParameters.H b/src/lagrangian/molecule/moleculeCloud/moleculeCloudReadMDParameters/moleculeCloudReadMDParameters.H
deleted file mode 100755
index f6d090bfb8..0000000000
--- a/src/lagrangian/molecule/moleculeCloud/moleculeCloudReadMDParameters/moleculeCloudReadMDParameters.H
+++ /dev/null
@@ -1,6 +0,0 @@
-
-#    include "moleculeCloudReadMDSolution.H"
-
-#    include "moleculeCloudReadIdList.H"
-
-#    include "moleculeCloudReadPotentials.H"
diff --git a/src/lagrangian/molecule/moleculeCloud/moleculeCloudReadMDParameters/moleculeCloudReadMDSolution.H b/src/lagrangian/molecule/moleculeCloud/moleculeCloudReadMDParameters/moleculeCloudReadMDSolution.H
deleted file mode 100755
index 07c6b30ff0..0000000000
--- a/src/lagrangian/molecule/moleculeCloud/moleculeCloudReadMDParameters/moleculeCloudReadMDSolution.H
+++ /dev/null
@@ -1,27 +0,0 @@
-Info<< nl <<  "Reading MD solution parameters:" << endl;
-
-IOdictionary mdSolution
-(
-    IOobject
-    (
-        "mdSolution",
-        mesh_.time().system(),
-        mesh_,
-        IOobject::MUST_READ,
-        IOobject::NO_WRITE
-    )
-);
-
-integrationMethod_ = integrationMethodNames_.read
-(
-    mdSolution.lookup("integrationMethod")
-);
-Info<< "integrationMethod =\t\t\t"
-    << integrationMethodNames_[integrationMethod_] << endl;
-
-potentialEnergyLimit_ = readScalar(mdSolution.lookup("potentialEnergyLimit"));
-Info<< "potentialEnergyLimit =\t\t\t" << potentialEnergyLimit_ << endl;
-
-guardRadius_ = readScalar(mdSolution.lookup("guardRadius"));
-Info<< "guardRadius =\t\t\t\t" << guardRadius_ << endl;
-
diff --git a/src/lagrangian/molecule/moleculeCloud/moleculeCloudReadMDParameters/moleculeCloudReadPotentials.H b/src/lagrangian/molecule/moleculeCloud/moleculeCloudReadMDParameters/moleculeCloudReadPotentials.H
deleted file mode 100755
index b1bdb2045c..0000000000
--- a/src/lagrangian/molecule/moleculeCloud/moleculeCloudReadMDParameters/moleculeCloudReadPotentials.H
+++ /dev/null
@@ -1,327 +0,0 @@
-IOdictionary potentialDict
-(
-    IOobject
-    (
-        "potentialDict",
-        mesh_.time().system(),
-        mesh_,
-        IOobject::MUST_READ,
-        IOobject::NO_WRITE
-    )
-);
-
-// ****************************************************************************
-// Pair potentials
-
-Info << nl << "Creating pair potentials:" << nl << endl;
-
-if (!potentialDict.found("pair"))
-{
-    FatalErrorIn("moleculeCloudReadPotentials.H") << nl
-            << "pair potential specification subDict not found"
-            << abort(FatalError);
-}
-
-const dictionary& pairDict = potentialDict.subDict("pair");
-
-pairPotentials_.setSizeAndNIds(nIds());
-
-label a;
-
-label b;
-
-rCutMax_ = 0.0;
-
-for
-(
-    a = 0;
-    a < idList_.size();
-    ++a
-)
-{
-    word idA = idList_[a];
-
-    for
-    (
-        b = a;
-        b < idList_.size();
-        ++b
-    )
-    {
-        word idB = idList_[b];
-
-        word pairPotentialName;
-
-        if (a==b)
-        {
-
-
-            if(pairDict.found(idA+"-"+idB))
-            {
-                pairPotentialName = idA+"-"+idB;
-            }
-
-            else
-            {
-                FatalErrorIn("moleculeCloudReadPotentials.H") << nl
-                        << "Pair pairPotential specification subDict "
-                        << idA+"-"+idB << " not found"
-                        << abort(FatalError);
-            }
-        }
-
-        else
-        {
-            if(pairDict.found(idA+"-"+idB))
-            {
-                pairPotentialName = idA+"-"+idB;
-            }
-
-            else if(pairDict.found(idB+"-"+idA))
-            {
-                pairPotentialName = idB+"-"+idA;
-            }
-
-            else
-            {
-                FatalErrorIn("moleculeCloudReadPotentials.H") << nl
-                        << "Pair pairPotential specification subDict "
-                        << idA+"-"+idB << " or " << idB+"-"+idA << " not found"
-                        << abort(FatalError);
-            }
-
-            if
-            (
-                pairDict.found(idA+"-"+idB)
-                && pairDict.found(idB+"-"+idA)
-            )
-            {
-                FatalErrorIn("moleculeCloudReadPotentials.H") << nl
-                        << "Pair pairPotential specification subDict "
-                        << idA+"-"+idB << " and "
-                        << idB+"-"+idA << " found - multiple definition"
-                        << abort(FatalError);
-            }
-        }
-
-        word pairPotentialType
-        (
-            pairDict.subDict(pairPotentialName).lookup("potentialType")
-        );
-
-        if
-        (
-            pairPotentialType == "maitlandSmithTabulated"
-        )
-        {
-            scalar rCut = readScalar
-            (
-                pairDict.subDict(pairPotentialName).lookup("rCut")
-            );
-
-            if(rCut > rCutMax_)
-            {
-                rCutMax_ = rCut;
-            }
-
-            pairPotentials_.addPotential
-            (
-                a,
-                b,
-                pairPotential
-                (
-                    pairDict.subDict(pairPotentialName)
-                )
-            );
-        }
-        else
-        {
-            FatalErrorIn("moleculeCloudReadPotentials.H") << nl
-                    << "pairPotentialType "<< pairPotentialType << " unknown"
-                    << abort(FatalError);
-        }
-
-        Info << pairPotentialName << ": "
-            << pairPotentials_.pairPotentialFunction(a,b) << endl;
-    }
-}
-
-rCutMax_ += guardRadius_;
-
-rCutMaxSqr_ = rCutMax_ * rCutMax_;
-
-Info << nl << "rCutMax + guardRadius = " << rCutMax_ << endl;
-
-if (potentialDict.found("removalOrder"))
-{
-    List<word> remOrd = potentialDict.lookup("removalOrder");
-
-    removalOrder_.setSize(remOrd.size());
-
-    forAll(removalOrder_, rO)
-    {
-        removalOrder_[rO] = findIndex(idList_, remOrd[rO]);
-    }
-}
-
-// ****************************************************************************
-// Tether potentials
-
-iterator mol(this->begin());
-
-DynamicList<label> tetherIds;
-
-for
-(
- mol = this->begin();
- mol != this->end();
- ++mol
-)
-{
-    if (mol().tethered())
-    {
-        if (findIndex(tetherIds, mol().id()) == -1)
-        {
-            tetherIds.append
-            (
-                mol().id()
-            );
-        }
-    }
-}
-
-if (Pstream::parRun())
-{
-    List< labelList > allTetherIds(Pstream::nProcs());
-
-    allTetherIds[Pstream::myProcNo()] = tetherIds;
-
-    Pstream::gatherList(allTetherIds);
-
-    if (Pstream::master())
-    {
-        DynamicList<label> globalTetherIds;
-
-        forAll(allTetherIds, procN)
-        {
-            const labelList& procNTetherIds = allTetherIds[procN];
-
-            forAll(procNTetherIds, id)
-            {
-                if (findIndex(globalTetherIds, procNTetherIds[id]) == -1)
-                {
-                    globalTetherIds.append
-                    (
-                        procNTetherIds[id]
-                    );
-                }
-            }
-        }
-
-        globalTetherIds.shrink();
-
-        tetherIds = globalTetherIds;
-    }
-
-    Pstream::scatter(tetherIds);
-}
-
-tetherIds.shrink();
-
-if (tetherIds.size())
-{
-    Info << nl << "Creating tether potentials:" << endl;
-
-    if (!potentialDict.found("tether"))
-    {
-        FatalErrorIn("moleculeCloudReadPotentials.H") << nl
-                << "tether potential specification subDict not found"
-                << abort(FatalError);
-    }
-
-    const dictionary& tetherDict = potentialDict.subDict("tether");
-
-    tetherPotentials_.setSizeAndTetherIds(tetherIds);
-
-    forAll (tetherIds, tid)
-    {
-        word tetherPotentialName = idList_[tetherIds[tid]];
-
-        if (!tetherDict.found(tetherPotentialName))
-        {
-            FatalErrorIn("moleculeCloudReadPotentials.H") << nl
-                    << "tether potential specification subDict "
-                    << tetherPotentialName << " not found"
-                    << abort(FatalError);
-        }
-
-        Info << nl << tetherPotentialName << endl;
-
-        word tetherPotentialType =
-            tetherDict.subDict(tetherPotentialName).lookup("potentialType");
-
-        if
-        (
-            tetherPotentialType == "harmonicSpring"
-        )
-        {
-
-            Info << "\tpotentialType = " << tetherPotentialType << endl;
-
-            scalar springConstant
-            (
-                readScalar
-                (
-                    tetherDict.subDict(tetherPotentialName).lookup
-                    (
-                        "springConstant"
-                    )
-                )
-            );
-
-            Info << "\tspringConstant = " << springConstant << endl;
-
-            tetherPotentials_.addPotential
-            (
-                tetherIds[tid],
-                tetherPotential
-                (
-                    tetherPotentialName,
-                    tetherPotentialType,
-                    springConstant
-                )
-            );
-        }
-
-        else
-        {
-            FatalErrorIn("moleculeCloudReadPotentials.H") << nl
-                    << "tetherPotentialType "
-                    << tetherPotentialType << " unknown"
-                    << abort(FatalError);
-        }
-    }
-}
-
-// ****************************************************************************
-// External Forces
-
-gravity_ = vector::zero;
-
-if (potentialDict.found("external"))
-{
-
-    Info << nl << "Reading external forces:" << endl;
-
-    const dictionary& externalDict = potentialDict.subDict("external");
-
-    // ************************************************************************
-    // gravity
-
-    if (externalDict.found("gravity"))
-    {
-        gravity_ = externalDict.lookup("gravity");
-    }
-}
-
-Info << nl << tab << "gravity = " << gravity_ << endl;
diff --git a/src/lagrangian/molecule/potentials/pairPotential/basic/pairPotential.C b/src/lagrangian/molecule/potentials/pairPotential/basic/pairPotential.C
deleted file mode 100755
index f7c96414e4..0000000000
--- a/src/lagrangian/molecule/potentials/pairPotential/basic/pairPotential.C
+++ /dev/null
@@ -1,308 +0,0 @@
-/*---------------------------------------------------------------------------*\
-  =========                 |
-  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
-   \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 1991-2005 OpenCFD Ltd.
-     \\/     M anipulation  |
--------------------------------------------------------------------------------
-License
-    This file is part of OpenFOAM.
-
-    OpenFOAM is free software; you can redistribute it and/or modify it
-    under the terms of the GNU General Public License as published by the
-    Free Software Foundation; either version 2 of the License, or (at your
-    option) any later version.
-
-    OpenFOAM is distributed in the hope that it will be useful, but WITHOUT
-    ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
-    FITNESS FOR A PARTICULAR PURPOSE.  See the GNU General Public License
-    for more details.
-
-    You should have received a copy of the GNU General Public License
-    along with OpenFOAM; if not, write to the Free Software Foundation,
-    Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
-
-\*----------------------------------------------------------------------------*/
-
-#include "pairPotential.H"
-
-// * * * * * * * * * * * * * Private Member Functions  * * * * * * * * * * * //
-
-void Foam::pairPotential::setLookupTables()
-{
-    label N = label((rCut_ - rMin_)/dr_) + 1;
-
-    forceLookup_.setSize(N);
-
-    energyLookup_.setSize(N);
-
-    forAll(forceLookup_, k)
-    {
-        forceLookup_[k] = force(k*dr_ + rMin_);
-
-        energyLookup_[k] = energy(k*dr_ + rMin_);
-    }
-
-    forceLookup_[N-1] = 0.0;
-    energyLookup_[N-1] = 0.0;
-}
-
-
-void Foam::pairPotential::setConstants()
-{
-    scalar nr = n(rCut_);
-
-    u_at_rCut_ =
-        epsilon_
-       *(
-            (6.0/(nr - 6.0))*Foam::pow( (rCut_/rm_), -nr)
-          - (nr/(nr - 6.0))*Foam::pow( (rCut_/rm_), -6)
-        );
-
-    du_by_dr_at_rCut_ =
-        -6.0 * epsilon_ * gamma_
-       *(
-            Foam::pow( (rCut_/rm_),-nr)
-           *(
-                (rCut_/rm_)
-               *(1.0 / (nr - 6.0) + log(rCut_ / rm_) + 1.0)
-              + (m_/gamma_)
-              - 1.0
-            )
-          - Foam::pow((rCut_/rm_),-6.0)
-            *(rCut_ / ( (nr - 6.0) * rm_) + (nr/gamma_))
-        )
-       /(rCut_*(nr - 6.0));
-}
-
-
-// * * * * * * * * * * * * * * * * Constructors  * * * * * * * * * * * * * * //
-
-Foam::pairPotential::pairPotential()
-{}
-
-
-Foam::pairPotential::pairPotential(const dictionary& pPDict)
-:
-    forceLookup_(),
-    energyLookup_(),
-    m_(),
-    gamma_(),
-    rm_(),
-    epsilon_(),
-    rCut_(),
-    rCutSqr_(),
-    u_at_rCut_(),
-    du_by_dr_at_rCut_(),
-    rMin_(),
-    dr_()
-{
-
-    m_ = readScalar(pPDict.lookup("m"));
-
-    gamma_ = readScalar(pPDict.lookup("gamma"));
-
-    rm_ = readScalar(pPDict.lookup("rm"));
-
-    epsilon_ = readScalar(pPDict.lookup("epsilon"));
-
-    rCut_ = readScalar(pPDict.lookup("rCut"));
-
-    rCutSqr_ = rCut_ * rCut_;
-
-    rMin_ = readScalar(pPDict.lookup("rMin"));
-
-    dr_ = readScalar(pPDict.lookup("dr"));
-
-    setConstants();
-
-    setLookupTables();
-}
-
-
-Foam::pairPotential::pairPotential
-(
-    const scalar m,
-    const scalar gamma,
-    const scalar rm,
-    const scalar epsilon,
-    const scalar rCut,
-    const scalar rMin,
-    const scalar dr
-)
-:
-    forceLookup_(),
-    energyLookup_(),
-    m_(m),
-    gamma_(gamma),
-    rm_(rm),
-    epsilon_(epsilon),
-    rCut_(rCut),
-    rCutSqr_(rCut*rCut),
-    u_at_rCut_(),
-    du_by_dr_at_rCut_(),
-    rMin_(rMin),
-    dr_(dr)
-{
-    setConstants();
-
-    setLookupTables();
-}
-
-
-// * * * * * * * * * * * * * * * * Destructor  * * * * * * * * * * * * * * * //
-
-Foam::pairPotential::~pairPotential()
-{}
-
-// * * * * * * * * * * * * * * * Member Functions  * * * * * * * * * * * * * //
-
-void Foam::pairPotential::write(Ostream& os) const
-{
-    os<< "Shifted force Maitland Smith pair potential."
-        << nl << tab << "m = " << m_
-        << nl << tab << "gamma = " << gamma_
-        << nl << tab << "rm = " << rm_
-        << nl << tab << "epsilon = " << epsilon_
-        << nl << tab << "rCut = " << rCut_
-        << nl << tab << "rMin = " << rMin_
-        << nl << tab << "dr = " << dr_
-        << endl;
-}
-
-
-Foam::scalar Foam::pairPotential::n(const scalar rIJMag) const
-{
-    return (m_ + gamma_*(rIJMag/rm_ - 1.0));
-}
-
-
-Foam::scalar Foam::pairPotential::force(const scalar rIJMag) const
-{
-    scalar nr(n(rIJMag));
-
-    scalar r = rIJMag/rm_;
-
-    scalar rN = Foam::pow(r,-nr);
-
-    scalar f =
-      - epsilon_
-       *(
-           - 6.0/(nr - 6.0)/(nr - 6.0)*(gamma_/rm_)*rN
-           + 6.0/(nr - 6.0)*rN
-             *((gamma_ - m_)/rIJMag - (gamma_/rm_)*(log(r) + 1.0))
-           + 6.0/(nr - 6.0)
-             *(1.0/(nr - 6.0)*(gamma_/rm_) + nr/rIJMag)*Foam::pow(r, -6)
-        )
-      + du_by_dr_at_rCut_;
-
-    return f;
-}
-
-
-Foam::scalar Foam::pairPotential::forceLookup(const scalar rIJMag) const
-{
-    scalar k_rIJ = (rIJMag - rMin_)/dr_;
-
-    label k(k_rIJ);
-
-    if (k < 0)
-    {
-        FatalErrorIn("pairPotential.C") << nl
-        << "rIJMag less than rMin" << nl
-        << abort(FatalError);
-    }
-
-    scalar f =
-        (k_rIJ - k)*forceLookup_[k+1]
-      + (k + 1 - k_rIJ)*forceLookup_[k];
-
-    return f;
-}
-
-
-Foam::List< Foam::Pair< Foam::scalar > >
-Foam::pairPotential::forceTable() const
-{
-    List< Pair<scalar> > forceTab(forceLookup_.size());
-
-    forAll(forceLookup_,k)
-    {
-        forceTab[k].first() = rMin_ + k*dr_;
-
-        forceTab[k].second() = forceLookup_[k];
-    }
-
-    return forceTab;
-}
-
-
-Foam::scalar Foam::pairPotential::energy(const scalar rIJMag) const
-{
-    scalar nr = n(rIJMag);
-
-    scalar e =
-        epsilon_
-       *(
-            (6.0 / (nr - 6.0))*Foam::pow( rIJMag/rm_, -nr)
-          - (nr / (nr - 6.0))*Foam::pow( rIJMag/rm_, -6)
-        )
-      - u_at_rCut_
-      - (rIJMag - rCut_)
-       *du_by_dr_at_rCut_;
-
-    return e;
-}
-
-
-Foam::scalar Foam::pairPotential::energyLookup(const scalar rIJMag) const
-{
-    scalar k_rIJ = (rIJMag - rMin_)/dr_;
-
-    label k(k_rIJ);
-
-    if (k < 0)
-    {
-        FatalErrorIn("pairPotential.C") << nl
-        << "rIJMag less than rMin" << nl
-        << abort(FatalError);
-    }
-
-    scalar e =
-        (k_rIJ - k)*energyLookup_[k+1]
-      + (k + 1 - k_rIJ)*energyLookup_[k];
-
-    return e;
-}
-
-
-Foam::List< Foam::Pair< Foam::scalar > >
-    Foam::pairPotential::energyTable() const
-{
-    List< Pair<scalar> > energyTab(energyLookup_.size());
-
-    forAll(energyLookup_,k)
-    {
-        energyTab[k].first() = rMin_ + k*dr_;
-
-        energyTab[k].second() = energyLookup_[k];
-    }
-
-    return energyTab;
-}
-
-
-// * * * * * * * * * * * * * * * Friend Functions  * * * * * * * * * * * * * //
-
-Foam::Ostream& Foam::operator<<(Ostream& os, const pairPotential& pot)
-{
-    pot.write(os);
-    os.check
-    (
-        "Foam::Ostream& Foam::pperator<<(Ostream& f, const pairPotential& pot"
-    );
-    return os;
-}
-
-
-// ************************************************************************* //
diff --git a/src/lagrangian/molecule/potentials/pairPotential/basic/pairPotentialList.C b/src/lagrangian/molecule/potentials/pairPotential/basic/pairPotentialList.C
deleted file mode 100755
index b38687dfc0..0000000000
--- a/src/lagrangian/molecule/potentials/pairPotential/basic/pairPotentialList.C
+++ /dev/null
@@ -1,180 +0,0 @@
-/*---------------------------------------------------------------------------*\
-  =========                 |
-  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
-   \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 1991-2005 OpenCFD Ltd.
-     \\/     M anipulation  |
--------------------------------------------------------------------------------
-License
-    This file is part of OpenFOAM.
-
-    OpenFOAM is free software; you can redistribute it and/or modify it
-    under the terms of the GNU General Public License as published by the
-    Free Software Foundation; either version 2 of the License, or (at your
-    option) any later version.
-
-    OpenFOAM is distributed in the hope that it will be useful, but WITHOUT
-    ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
-    FITNESS FOR A PARTICULAR PURPOSE.  See the GNU General Public License
-    for more details.
-
-    You should have received a copy of the GNU General Public License
-    along with OpenFOAM; if not, write to the Free Software Foundation,
-    Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
-
-\*----------------------------------------------------------------------------*/
-
-#include "pairPotentialList.H"
-
-namespace Foam
-{
-
-// * * * * * * * * * * * * * * * * Constructors  * * * * * * * * * * * * * * //
-
-Foam::pairPotentialList::pairPotentialList()
-:
-    List<pairPotential> ()
-{}
-
-
-Foam::pairPotentialList::pairPotentialList
-(
-    const label nIds
-)
-:
-    List<pairPotential> ((nIds * (nIds + 1))/2),
-    nIds_(nIds)
-{}
-
-
-Foam::pairPotentialList::pairPotentialList
-(
-    const List<pairPotential>& pairPotentials,
-    const label nIds
-)
-:
-    List<pairPotential> (pairPotentials),
-    nIds_(nIds)
-{}
-
-
-// * * * * * * * * * * * * * * * * Destructor  * * * * * * * * * * * * * * * //
-
-pairPotentialList::~pairPotentialList()
-{}
-
-
-// * * * * * * * * * * * * * * * Member Functions  * * * * * * * * * * * * * //
-
-void pairPotentialList::setSizeAndNIds (const label nIds)
-{
-    nIds_ = nIds;
-    setSize((nIds * (nIds + 1))/2);
-}
-
-
-void pairPotentialList::addPotential
-(
-    const label a,
-    const label b,
-    const pairPotential& pot
-)
-{
-    if (pairPotentialIndex (a,b) > size()-1)
-    {
-        FatalErrorIn
-        (
-            "Foam::pairPotentialList::addPotential "
-            "(const label a, const label b, const pairPotential& pot)"
-        )<< "Attempting to add a pairPotential with too high an index"
-         << nl
-         << "Check if the pairPotentialList has been constructed "
-         << "with the number of ids to expect"
-         << nl << abort(FatalError);
-    }
-    else
-    {
-        (*this)[pairPotentialIndex (a,b)] = pot;
-    }
-}
-
-
-const pairPotential& pairPotentialList::pairPotentialFunction
-(
-    const label a,
-    const label b
-) const
-{
-    return (*this)[pairPotentialIndex (a,b)];
-}
-
-
-bool pairPotentialList::rCutSqr
-(
-    const label a,
-    const label b,
-    const scalar rIJMagSqr
-) const
-{
-    if(rIJMagSqr <= rCutSqr (a,b))
-    {
-        return true;
-    }
-    else
-    {
-        return false;
-    }
-}
-
-
-scalar pairPotentialList::rCutSqr
-(
-    const label a,
-    const label b
-) const
-{
-    return (*this)[pairPotentialIndex (a,b)].rCutSqr();
-}
-
-
-scalar pairPotentialList::rCut
-(
-    const label a,
-    const label b
-) const
-{
-    return (*this)[pairPotentialIndex (a,b)].rCut();
-}
-
-
-scalar pairPotentialList::force
-(
-    const label a,
-    const label b,
-    const scalar rIJMag
-) const
-{
-    scalar f = (*this)[pairPotentialIndex (a,b)].forceLookup(rIJMag);
-
-    return f;
-}
-
-
-scalar pairPotentialList::energy
-(
-    const label a,
-    const label b,
-    const scalar rIJMag
-) const
-{
-    scalar e = (*this)[pairPotentialIndex (a,b)].energyLookup(rIJMag);
-
-    return e;
-}
-
-
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-
-} // End namespace Foam
-
-// ************************************************************************* //
diff --git a/src/lagrangian/molecule/potentials/pairPotential/derived/lennardJones.C b/src/lagrangian/molecule/potentials/pairPotential/derived/lennardJones.C
deleted file mode 100755
index 1eab1aa40a..0000000000
--- a/src/lagrangian/molecule/potentials/pairPotential/derived/lennardJones.C
+++ /dev/null
@@ -1,132 +0,0 @@
-/*---------------------------------------------------------------------------*\
-  =========                 |
-  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
-   \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 1991-2005 OpenCFD Ltd.
-     \\/     M anipulation  |
--------------------------------------------------------------------------------
-License
-    This file is part of OpenFOAM.
-
-    OpenFOAM is free software; you can redistribute it and/or modify it
-    under the terms of the GNU General Public License as published by the
-    Free Software Foundation; either version 2 of the License, or (at your
-    option) any later version.
-
-    OpenFOAM is distributed in the hope that it will be useful, but WITHOUT
-    ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
-    FITNESS FOR A PARTICULAR PURPOSE.  See the GNU General Public License
-    for more details.
-
-    You should have received a copy of the GNU General Public License
-    along with OpenFOAM; if not, write to the Free Software Foundation,
-    Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
-
-\*----------------------------------------------------------------------------*/
-
-#include "pairPotential.H"
-
-namespace Foam
-{
-
-// * * * * * * * * * * * * * * * * Constructors  * * * * * * * * * * * * * * //
-
-pairPotential::pairPotential()
-{}
-
-
-// Construct from components
-pairPotential::pairPotential
-(
-    const word& pairPotentialName,
-    const word& pairPotentialType,
-    const scalar sigma,
-    const scalar epsilon,
-    const scalar rCut
-)
-:
-    pairPotentialName_(pairPotentialName),
-    pairPotentialType_(pairPotentialType),
-    sigma_(sigma),
-    epsilon_(epsilon),
-    rCut_(rCut),
-    rCutSqr_(rCut*rCut)
-{
-    // rCutShiftedForcePotentialConstTerm
-    rCutSFPotConst_ = (pow((rCut_/sigma_),-12) - pow((rCut_/sigma_),-6));
-
-    // rCutShiftedForceConstTerm
-    rCutSFConst_ =
-        (pow((rCut_/sigma_),-14) - 0.5*pow((rCut_/sigma_),-8))*rCut_;
-}
-
-
-// * * * * * * * * * * * * * * * * Destructor  * * * * * * * * * * * * * * * //
-
-pairPotential::~pairPotential()
-{}
-
-
-// * * * * * * * * * * * * * * * Member Functions  * * * * * * * * * * * * * //
-
-void pairPotential::write(Ostream& os) const
-{
-    os << pairPotentialName_
-       << nl << pairPotentialType_
-       << nl << sigma_
-       << nl << epsilon_
-       << nl << rCut_
-       << endl;
-}
-
-
-scalar pairPotential::force(const scalar rIJMag) const
-{
-    // (rIJ/sigma)^-2
-    scalar rIJoSMagSqInv = (sigma_/rIJMag)*(sigma_/rIJMag);
-
-    // (rIJ/sigma)^-6
-    scalar rIJoSMagSqInvCu = rIJoSMagSqInv*rIJoSMagSqInv*rIJoSMagSqInv;
-
-    scalar f = 48.0*epsilon_/(sigma_*sigma_)
-               *(rIJoSMagSqInvCu*(rIJoSMagSqInvCu - 0.5)*rIJoSMagSqInv
-             - rCutSFConst_/rIJMag);
-
-    return f;
-}
-
-
-scalar pairPotential::energy(const scalar rIJMag) const
-{
-    // (rIJ/sigma)^-2
-    scalar rIJoSMagSqInv = (sigma_/rIJMag)*(sigma_/rIJMag);
-
-    // (rIJ/sigma)^-6
-    scalar rIJoSMagSqInvCu = rIJoSMagSqInv*rIJoSMagSqInv*rIJoSMagSqInv;
-
-    scalar e = 4*epsilon_
-               *(
-                    rIJoSMagSqInvCu*(rIJoSMagSqInvCu - 1.0)
-                  - rCutSFPotConst_
-                  + 12*(rIJMag - rCut_)/(sigma_*sigma_)*rCutSFConst_
-                );
-
-    return e;
-}
-
-
-// * * * * * * * * * * * * * * * Friend Functions  * * * * * * * * * * * * * //
-
-Ostream& operator<<(Ostream& os, const pairPotential& pot)
-{
-    pot.write(os);
-    os.check("Ostream& operator<<(Ostream& f, const pairPotential& pot");
-    return os;
-}
-
-
-// * * * * * * * * * * * * * * * Friend Operators  * * * * * * * * * * * * * //
-
-} // End namespace Foam
-
-// ************************************************************************* //
diff --git a/src/lagrangian/molecule/potentials/pairPotential/derived/lennardJones.H b/src/lagrangian/molecule/potentials/pairPotential/derived/lennardJones.H
deleted file mode 100755
index 57dea3ab72..0000000000
--- a/src/lagrangian/molecule/potentials/pairPotential/derived/lennardJones.H
+++ /dev/null
@@ -1,148 +0,0 @@
-/*---------------------------------------------------------------------------*\
-  =========                 |
-  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
-   \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 1991-2005 OpenCFD Ltd.
-     \\/     M anipulation  |
--------------------------------------------------------------------------------
-License
-    This file is part of OpenFOAM.
-
-    OpenFOAM is free software; you can redistribute it and/or modify it
-    under the terms of the GNU General Public License as published by the
-    Free Software Foundation; either version 2 of the License, or (at your
-    option) any later version.
-
-    OpenFOAM is distributed in the hope that it will be useful, but WITHOUT
-    ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
-    FITNESS FOR A PARTICULAR PURPOSE.  See the GNU General Public License
-    for more details.
-
-    You should have received a copy of the GNU General Public License
-    along with OpenFOAM; if not, write to the Free Software Foundation,
-    Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
-
-Class
-    Foam::pairPotential
-
-Description
-
-SourceFiles
-    pairPotentialI.H
-    pairPotential.C
-
-\*---------------------------------------------------------------------------*/
-
-#ifndef pairPotential_H
-#define pairPotential_H
-
-#include "vector.H"
-
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-
-namespace Foam
-{
-
-
-/*---------------------------------------------------------------------------*\
-                        Class pairPotential Declaration
-\*---------------------------------------------------------------------------*/
-
-class pairPotential
-{
-    // Private data
-
-        // At the moment this is hard coded to be a "shiftedLennardJones"
-        // potential.  In future use templated classes virtual functions,
-        // function pointers and all kinds of good stuff to make this a
-        // generic pair force,
-
-        // Not strictly necessary, but useful to keep track of what's what.
-        word pairPotentialName_;
-
-        // To be used when runTime selection of potential function is working.
-        word pairPotentialType_;
-
-        scalar sigma_;
-
-        scalar epsilon_;
-
-        scalar rCut_;
-
-        scalar rCutSqr_;
-
-        // rCutShiftedForcePotentialConstTerm
-        scalar rCutSFPotConst_;
-
-        // rCutShiftedForceConstTerm
-        scalar rCutSFConst_;
-
-
-public:
-
-    // Constructors
-
-        //- Construct null
-        pairPotential();
-
-        //- Construct from components
-        pairPotential
-        (
-            const word& pairPotentialName,
-            const word& pairPotentialType,
-            const scalar sigma,
-            const scalar epsilon,
-            const scalar rCut
-        );
-
-
-    // Destructor
-
-        virtual ~pairPotential();
-
-
-    // Member Functions
-
-        // Access
-
-            inline const word& pairPotentialName() const;
-
-            inline const word& pairPotentialType() const;
-
-            inline scalar sigma() const;
-
-            inline scalar epsilon() const;
-
-            inline scalar rCut() const;
-
-            inline scalar rCutSqr() const;
-
-
-        // Write
-
-            virtual void write(Ostream&) const;
-
-            scalar force(const scalar rIJMag) const;
-
-            scalar energy(const scalar rIJMag) const;
-
-
-    // IOstream Operators
-
-        friend Ostream& operator<<(Ostream&, const pairPotential&);
-};
-
-
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-
-} // End namespace Foam
-
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-
-#include "pairPotentialI.H"
-
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-
-#endif
-
-// ************************************************************************* //
diff --git a/src/postProcessing/foamCalcFunctions/field/components/components.C b/src/postProcessing/foamCalcFunctions/field/components/components.C
index 644771023b..95f2421dff 100644
--- a/src/postProcessing/foamCalcFunctions/field/components/components.C
+++ b/src/postProcessing/foamCalcFunctions/field/components/components.C
@@ -111,6 +111,8 @@ void Foam::calcTypes::components::calc
                 mesh,
                 processed
             );
+            writeComponentFields<symmTensor>(fieldHeader, mesh, processed);
+            writeComponentFields<tensor>(fieldHeader, mesh, processed);
 
             if (!processed)
             {
diff --git a/src/triSurface/Make/options b/src/triSurface/Make/options
index e69de29bb2..cd3f5ed69c 100644
--- a/src/triSurface/Make/options
+++ b/src/triSurface/Make/options
@@ -0,0 +1,3 @@
+EXE_INC = \
+    -I$(WM_THIRD_PARTY_DIR)/zlib-1.2.3
+
diff --git a/src/turbulenceModels/RAS/compressible/LRR/LRR.H b/src/turbulenceModels/RAS/compressible/LRR/LRR.H
index 186abc311c..ad2d9df8f4 100644
--- a/src/turbulenceModels/RAS/compressible/LRR/LRR.H
+++ b/src/turbulenceModels/RAS/compressible/LRR/LRR.H
@@ -29,6 +29,24 @@ Description
     Launder, Reece and Rodi Reynolds-stress turbulence model for
     compressible flows.
 
+    The default model coefficients correspond to the following:
+    @verbatim
+        LRRCoeffs
+        {
+            Cmu         0.09;
+            Clrr1       1.8;
+            Clrr2       0.6;
+            C1          1.44;
+            C2          1.92;
+            Cs          0.25;
+            Ceps        0.15;
+            alphah      1.0;    // only for compressible
+            alphaEps    0.76923;
+            alphaR      1.22;   // only for compressible
+            couplingFactor  0.0;    // only for incompressible
+        }
+    @endverbatim
+
 SourceFiles
     LRR.C
     LRRcorrect.C
diff --git a/src/turbulenceModels/RAS/compressible/LaunderGibsonRSTM/LaunderGibsonRSTM.H b/src/turbulenceModels/RAS/compressible/LaunderGibsonRSTM/LaunderGibsonRSTM.H
index 9c403c5d42..8457e178d0 100644
--- a/src/turbulenceModels/RAS/compressible/LaunderGibsonRSTM/LaunderGibsonRSTM.H
+++ b/src/turbulenceModels/RAS/compressible/LaunderGibsonRSTM/LaunderGibsonRSTM.H
@@ -28,6 +28,26 @@ Class
 Description
     Launder-Gibson Reynolds stress turbulence model for compressible flows.
 
+    The default model coefficients correspond to the following:
+    @verbatim
+        LaunderGibsonRSTMCoeffs
+        {
+            Cmu         0.09;
+            Clg1        1.8;
+            Clg2        0.6;
+            C1          1.44;
+            C2          1.92;
+            C1Ref       0.5;
+            C2Ref       0.3;
+            Cs          0.25;
+            Ceps        0.15;
+            alphah      1.0;    // only for compressible
+            alphaEps    0.76923;
+            alphaR      1.22;
+            couplingFactor  0.0;
+        }
+    @endverbatim
+
 SourceFiles
     LaunderGibsonRSTM.C
     LaunderGibsonRSTMcorrect.C
diff --git a/src/turbulenceModels/RAS/compressible/LaunderSharmaKE/LaunderSharmaKE.H b/src/turbulenceModels/RAS/compressible/LaunderSharmaKE/LaunderSharmaKE.H
index 65151f8707..ec1a66e09f 100644
--- a/src/turbulenceModels/RAS/compressible/LaunderSharmaKE/LaunderSharmaKE.H
+++ b/src/turbulenceModels/RAS/compressible/LaunderSharmaKE/LaunderSharmaKE.H
@@ -29,6 +29,20 @@ Description
     Launder and Sharma low-Reynolds k-epsilon turbulence model for
     compressible and combusting flows.
 
+    The default model coefficients correspond to the following:
+    @verbatim
+        LaunderSharmaKECoeffs
+        {
+            Cmu         0.09;
+            C1          1.44;
+            C2          1.92;
+            C3          -0.33;
+            alphah      1.0;    // only for compressible
+            alphahk     1.0;    // only for compressible
+            alphaEps    0.76923;
+        }
+    @endverbatim
+
 SourceFiles
     LaunderSharmaKE.C
     LaunderSharmaKECorrect.C
diff --git a/src/turbulenceModels/RAS/compressible/LaunderSharmaKE/sourceFiles b/src/turbulenceModels/RAS/compressible/LaunderSharmaKE/sourceFiles
deleted file mode 100644
index 4af781d2c8..0000000000
--- a/src/turbulenceModels/RAS/compressible/LaunderSharmaKE/sourceFiles
+++ /dev/null
@@ -1,2 +0,0 @@
-SOURCE  = \
-$(EXE_SRC)/RNGkEpsilon.C
diff --git a/src/turbulenceModels/RAS/compressible/Make/files b/src/turbulenceModels/RAS/compressible/Make/files
index a04a7a9c0b..aab9098c3d 100644
--- a/src/turbulenceModels/RAS/compressible/Make/files
+++ b/src/turbulenceModels/RAS/compressible/Make/files
@@ -1,3 +1,4 @@
+/* RAS turbulence models */
 RASModel/RASModel.C
 RASModel/newRASModel.C
 laminar/laminar.C
@@ -10,6 +11,11 @@ realizableKE/realizableKE.C
 SpalartAllmaras/SpalartAllmaras.C
 kOmegaSST/kOmegaSST.C
 
+/* Wall functions */
 wallFunctions/mutWallFunctions/mutStandardRoughWallFunction/mutStandardRoughWallFunctionFvPatchScalarField.C
 
+/* Patch fields */
+derivedFvPatchFields/turbulentMixingLengthDissipationRateInlet/turbulentMixingLengthDissipationRateInletFvPatchScalarField.C
+derivedFvPatchFields/turbulentMixingLengthFrequencyInlet/turbulentMixingLengthFrequencyInletFvPatchScalarField.C
+
 LIB = $(FOAM_LIBBIN)/libcompressibleRASModels
diff --git a/src/turbulenceModels/RAS/compressible/RASModel/RASModel.C b/src/turbulenceModels/RAS/compressible/RASModel/RASModel.C
index 6a4a6c055b..430d87f7ae 100644
--- a/src/turbulenceModels/RAS/compressible/RASModel/RASModel.C
+++ b/src/turbulenceModels/RAS/compressible/RASModel/RASModel.C
@@ -89,14 +89,24 @@ RASModel::RASModel
 
     kappa_
     (
-        subDict("wallFunctionCoeffs").lookupOrAddDefault<scalar>
+        dimensioned<scalar>::lookupOrAddToDict
         (
             "kappa",
+            subDict("wallFunctionCoeffs"),
             0.4187
         )
     ),
-    E_(subDict("wallFunctionCoeffs").lookupOrAddDefault<scalar>("E", 9.0)),
-    yPlusLam_(yPlusLam(kappa_, E_)),
+    E_
+    (
+        dimensioned<scalar>::lookupOrAddToDict
+        (
+            "E",
+            subDict("wallFunctionCoeffs"),
+            9.0
+        )
+    ),
+
+    yPlusLam_(yPlusLam(kappa_.value(), E_.value())),
 
     k0_("k0", dimVelocity*dimVelocity, SMALL),
     epsilon0_("epsilon", k0_.dimensions()/dimTime, SMALL),
@@ -171,14 +181,14 @@ bool RASModel::read()
         lookup("turbulence") >> turbulence_;
         coeffDict_ = subDict(type() + "Coeffs");
 
-        subDict("wallFunctionCoeffs").readIfPresent<scalar>("kappa", kappa_);
-        subDict("wallFunctionCoeffs").readIfPresent<scalar>("E", E_);
+        kappa_.readIfPresent(subDict("wallFunctionCoeffs"));
+        E_.readIfPresent(subDict("wallFunctionCoeffs"));
 
-        yPlusLam_ = yPlusLam(kappa_, E_);
+        yPlusLam_ = yPlusLam(kappa_.value(), E_.value());
 
-        readIfPresent("k0", k0_);
-        readIfPresent("epsilon0", epsilon0_);
-        readIfPresent("epsilonSmall", epsilonSmall_);
+        k0_.readIfPresent(*this);
+        epsilon0_.readIfPresent(*this);
+        epsilonSmall_.readIfPresent(*this);
 
         return true;
     }
diff --git a/src/turbulenceModels/RAS/compressible/RASModel/RASModel.H b/src/turbulenceModels/RAS/compressible/RASModel/RASModel.H
index f18bfe5cd4..39960659a4 100644
--- a/src/turbulenceModels/RAS/compressible/RASModel/RASModel.H
+++ b/src/turbulenceModels/RAS/compressible/RASModel/RASModel.H
@@ -91,8 +91,8 @@ protected:
         Switch printCoeffs_;
         dictionary coeffDict_;
 
-        scalar kappa_;
-        scalar E_;
+        dimensionedScalar kappa_;
+        dimensionedScalar E_;
 
         scalar yPlusLam(const scalar kappa, const scalar E);
         scalar yPlusLam_;
@@ -226,13 +226,13 @@ public:
 
 
             //- Return kappa for use in wall-functions
-            scalar kappa() const
+            dimensionedScalar kappa() const
             {
                 return kappa_;
             }
 
             //- Return E for use in wall-functions
-            scalar E() const
+            dimensionedScalar E() const
             {
                 return E_;
             }
@@ -245,7 +245,7 @@ public:
             }
 
             //- Const access to the coefficients dictionary
-            const dictionary& coeffDict()
+            const dictionary& coeffDict() const
             {
                 return coeffDict_;
             }
diff --git a/src/turbulenceModels/RAS/compressible/RNGkEpsilon/RNGkEpsilon.H b/src/turbulenceModels/RAS/compressible/RNGkEpsilon/RNGkEpsilon.H
index 66295b73ae..38d66ad0c7 100644
--- a/src/turbulenceModels/RAS/compressible/RNGkEpsilon/RNGkEpsilon.H
+++ b/src/turbulenceModels/RAS/compressible/RNGkEpsilon/RNGkEpsilon.H
@@ -28,6 +28,22 @@ Class
 Description
     Renormalisation group k-epsilon turbulence model for compressible flows.
 
+    The default model coefficients correspond to the following:
+    @verbatim
+        RNGkEpsilonCoeffs
+        {
+            Cmu         0.0845;
+            C1          1.42;
+            C2          1.68;
+            C3          -0.33;  // only for compressible
+            alphah      1.0;    // only for compressible
+            alphak      1.39;
+            alphaEps    1.39;
+            eta0        4.38;
+            beta        0.012;
+        }
+    @endverbatim
+
 SourceFiles
     RNGkEpsilon.C
     RNGkEpsilonCorrect.C
diff --git a/src/turbulenceModels/RAS/compressible/RNGkEpsilon/sourceFiles b/src/turbulenceModels/RAS/compressible/RNGkEpsilon/sourceFiles
deleted file mode 100644
index 4af781d2c8..0000000000
--- a/src/turbulenceModels/RAS/compressible/RNGkEpsilon/sourceFiles
+++ /dev/null
@@ -1,2 +0,0 @@
-SOURCE  = \
-$(EXE_SRC)/RNGkEpsilon.C
diff --git a/src/turbulenceModels/RAS/compressible/SpalartAllmaras/SpalartAllmaras.H b/src/turbulenceModels/RAS/compressible/SpalartAllmaras/SpalartAllmaras.H
index a163335fd6..2a96baa02f 100644
--- a/src/turbulenceModels/RAS/compressible/SpalartAllmaras/SpalartAllmaras.H
+++ b/src/turbulenceModels/RAS/compressible/SpalartAllmaras/SpalartAllmaras.H
@@ -44,6 +44,21 @@ Description
         Ph.D. thesis, University of Michigan, 1996.
     @endverbatim
 
+    The default model coefficients correspond to the following:
+    @verbatim
+        SpalartAllmarasCoeffs
+        {
+            Cb1         0.1355;
+            Cb2         0.622;
+            Cw2         0.3;
+            Cw3         2.0;
+            Cv1         7.1;
+            Cv2         5.0;
+            alphaNut    1.5;
+            alphah      1.0;    // only for compressible
+        }
+    @endverbatim
+
 SourceFiles
     SpalartAllmaras.C
     SpalartAllmarasCorrect.C
diff --git a/src/finiteVolume/fields/fvPatchFields/derived/turbulentMixingLengthDissipationRateInlet/turbulentMixingLengthDissipationRateInletFvPatchScalarField.C b/src/turbulenceModels/RAS/compressible/derivedFvPatchFields/turbulentMixingLengthDissipationRateInlet/turbulentMixingLengthDissipationRateInletFvPatchScalarField.C
similarity index 93%
rename from src/finiteVolume/fields/fvPatchFields/derived/turbulentMixingLengthDissipationRateInlet/turbulentMixingLengthDissipationRateInletFvPatchScalarField.C
rename to src/turbulenceModels/RAS/compressible/derivedFvPatchFields/turbulentMixingLengthDissipationRateInlet/turbulentMixingLengthDissipationRateInletFvPatchScalarField.C
index b24240aeda..100ce04fcb 100644
--- a/src/finiteVolume/fields/fvPatchFields/derived/turbulentMixingLengthDissipationRateInlet/turbulentMixingLengthDissipationRateInletFvPatchScalarField.C
+++ b/src/turbulenceModels/RAS/compressible/derivedFvPatchFields/turbulentMixingLengthDissipationRateInlet/turbulentMixingLengthDissipationRateInletFvPatchScalarField.C
@@ -29,6 +29,7 @@ License
 #include "fvPatchFieldMapper.H"
 #include "surfaceFields.H"
 #include "volFields.H"
+#include "RASModel.H"
 
 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
@@ -105,17 +106,10 @@ void turbulentMixingLengthDissipationRateInletFvPatchScalarField::updateCoeffs()
     }
 
     // Lookup Cmu corresponding to the turbulence model selected
-    const dictionary& RASProperties = db().lookupObject<IOdictionary>
-    (
-        "RASProperties"
-    );
+    const compressible::RASModel& RAS =
+        db().lookupObject<compressible::RASModel>("RASProperties");
+    scalar Cmu = readScalar(RAS.coeffDict().lookup("Cmu"));
 
-    const dictionary& RASCoeffs = RASProperties.subDict
-    (
-        word(RASProperties.lookup("RASModel")) + "Coeffs"
-    );
-
-    scalar Cmu = readScalar(RASCoeffs.lookup("Cmu"));
     scalar Cmu75 = pow(Cmu, 0.75);
 
     const fvPatchField<scalar>& k =
diff --git a/src/finiteVolume/fields/fvPatchFields/derived/turbulentMixingLengthDissipationRateInlet/turbulentMixingLengthDissipationRateInletFvPatchScalarField.H b/src/turbulenceModels/RAS/compressible/derivedFvPatchFields/turbulentMixingLengthDissipationRateInlet/turbulentMixingLengthDissipationRateInletFvPatchScalarField.H
similarity index 100%
rename from src/finiteVolume/fields/fvPatchFields/derived/turbulentMixingLengthDissipationRateInlet/turbulentMixingLengthDissipationRateInletFvPatchScalarField.H
rename to src/turbulenceModels/RAS/compressible/derivedFvPatchFields/turbulentMixingLengthDissipationRateInlet/turbulentMixingLengthDissipationRateInletFvPatchScalarField.H
diff --git a/src/finiteVolume/fields/fvPatchFields/derived/turbulentMixingLengthFrequencyInlet/turbulentMixingLengthFrequencyInletFvPatchScalarField.C b/src/turbulenceModels/RAS/compressible/derivedFvPatchFields/turbulentMixingLengthFrequencyInlet/turbulentMixingLengthFrequencyInletFvPatchScalarField.C
similarity index 93%
rename from src/finiteVolume/fields/fvPatchFields/derived/turbulentMixingLengthFrequencyInlet/turbulentMixingLengthFrequencyInletFvPatchScalarField.C
rename to src/turbulenceModels/RAS/compressible/derivedFvPatchFields/turbulentMixingLengthFrequencyInlet/turbulentMixingLengthFrequencyInletFvPatchScalarField.C
index b0949830f7..eb3d271709 100644
--- a/src/finiteVolume/fields/fvPatchFields/derived/turbulentMixingLengthFrequencyInlet/turbulentMixingLengthFrequencyInletFvPatchScalarField.C
+++ b/src/turbulenceModels/RAS/compressible/derivedFvPatchFields/turbulentMixingLengthFrequencyInlet/turbulentMixingLengthFrequencyInletFvPatchScalarField.C
@@ -29,6 +29,7 @@ License
 #include "fvPatchFieldMapper.H"
 #include "surfaceFields.H"
 #include "volFields.H"
+#include "RASModel.H"
 
 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
@@ -110,17 +111,10 @@ void turbulentMixingLengthFrequencyInletFvPatchScalarField::updateCoeffs()
     }
 
     // Lookup Cmu corresponding to the turbulence model selected
-    const dictionary& RASProperties = db().lookupObject<IOdictionary>
-    (
-        "RASProperties"
-    );
+    const compressible::RASModel& RAS =
+        db().lookupObject<compressible::RASModel>("RASProperties");
+    scalar Cmu = readScalar(RAS.coeffDict().lookup("Cmu"));
 
-    const dictionary& RASCoeffs = RASProperties.subDict
-    (
-        word(RASProperties.lookup("RASModel")) + "Coeffs"
-    );
-
-    scalar Cmu = readScalar(RASCoeffs.lookup("Cmu"));
     scalar Cmu25 = pow(Cmu, 0.25);
 
     const fvPatchField<scalar>& kp =
diff --git a/src/finiteVolume/fields/fvPatchFields/derived/turbulentMixingLengthFrequencyInlet/turbulentMixingLengthFrequencyInletFvPatchScalarField.H b/src/turbulenceModels/RAS/compressible/derivedFvPatchFields/turbulentMixingLengthFrequencyInlet/turbulentMixingLengthFrequencyInletFvPatchScalarField.H
similarity index 100%
rename from src/finiteVolume/fields/fvPatchFields/derived/turbulentMixingLengthFrequencyInlet/turbulentMixingLengthFrequencyInletFvPatchScalarField.H
rename to src/turbulenceModels/RAS/compressible/derivedFvPatchFields/turbulentMixingLengthFrequencyInlet/turbulentMixingLengthFrequencyInletFvPatchScalarField.H
diff --git a/src/turbulenceModels/RAS/compressible/kEpsilon/kEpsilon.H b/src/turbulenceModels/RAS/compressible/kEpsilon/kEpsilon.H
index 91f6d90af9..521c722937 100644
--- a/src/turbulenceModels/RAS/compressible/kEpsilon/kEpsilon.H
+++ b/src/turbulenceModels/RAS/compressible/kEpsilon/kEpsilon.H
@@ -28,6 +28,20 @@ Class
 Description
     Standard k-epsilon turbulence model for compressible flows
 
+    The default model coefficients correspond to the following:
+    @verbatim
+        kEpsilonCoeffs
+        {
+            Cmu         0.09;
+            C1          1.44;
+            C2          1.92;
+            C3          -0.33;  // only for compressible
+            alphak      1.0;    // only for compressible
+            alphaEps    0.76923;
+            alphah      1.0;    // only for compressible
+        }
+    @endverbatim
+
 SourceFiles
     kEpsilon.C
     kEpsilonCorrect.C
diff --git a/src/turbulenceModels/RAS/compressible/kOmegaSST/kOmegaSST.H b/src/turbulenceModels/RAS/compressible/kOmegaSST/kOmegaSST.H
index 3ddcde214e..7e321cc594 100644
--- a/src/turbulenceModels/RAS/compressible/kOmegaSST/kOmegaSST.H
+++ b/src/turbulenceModels/RAS/compressible/kOmegaSST/kOmegaSST.H
@@ -39,7 +39,7 @@ Description
     Note that this implementation is written in terms of alpha diffusion
     coefficients rather than the more traditional sigma (alpha = 1/sigma) so
     that the blending can be applied to all coefficuients in a consistent
-    manner.  The paper suggests that sigma is blended but this woulf not be
+    manner.  The paper suggests that sigma is blended but this would not be
     consistent with the blending of the k-epsilon and k-omega models.
 
     Also note that the error in the last term of equation (2) relating to
@@ -52,6 +52,26 @@ Description
     uncertainty in their origin, range of applicability and that is y+ becomes
     sufficiently small blending u_tau in this manner clearly becomes nonsense.
 
+    The default model coefficients correspond to the following:
+    @verbatim
+        kOmegaSST
+        {
+            Cmu         0.09;
+            alphaK1     0.85034;
+            alphaK2     1.0;
+            alphaOmega1 0.5;
+            alphaOmega2 0.85616;
+            alphah      1.0;    // only for compressible
+            beta1       0.075;
+            beta2       0.0828;
+            betaStar    0.09;
+            gamma1      0.5532;
+            gamma2      0.4403;
+            a1          0.31;
+            c1          10.0;
+        }
+    @endverbatim
+
 SourceFiles
     kOmegaSST.C
     kOmegaWallFunctionsI.H
diff --git a/src/turbulenceModels/RAS/compressible/kOmegaSST/kOmegaWallFunctionsI.H b/src/turbulenceModels/RAS/compressible/kOmegaSST/kOmegaWallFunctionsI.H
index 1f34c5be9f..e7b9db40cd 100644
--- a/src/turbulenceModels/RAS/compressible/kOmegaSST/kOmegaWallFunctionsI.H
+++ b/src/turbulenceModels/RAS/compressible/kOmegaSST/kOmegaWallFunctionsI.H
@@ -89,7 +89,7 @@ Description
 
                 omega_[faceCelli] +=
                     sqrt(k_[faceCelli])
-                   /(Cmu25*kappa_*y_[faceCelli]);
+                   /(Cmu25*kappa_.value()*y_[faceCelli]);
 
                 if (yPlus > yPlusLam_)
                 {
@@ -97,7 +97,7 @@ Description
                         (mutw[facei] + muw[facei])
                        *magFaceGradU[facei]
                        *Cmu25*sqrt(k_[faceCelli])
-                       /(kappa_*y_[faceCelli]);
+                       /(kappa_.value()*y_[faceCelli]);
                 }
             }
         }
diff --git a/src/turbulenceModels/RAS/compressible/kOmegaSST/kOmegaWallViscosityI.H b/src/turbulenceModels/RAS/compressible/kOmegaSST/kOmegaWallViscosityI.H
index 4aae893e97..68ce16201c 100644
--- a/src/turbulenceModels/RAS/compressible/kOmegaSST/kOmegaWallViscosityI.H
+++ b/src/turbulenceModels/RAS/compressible/kOmegaSST/kOmegaWallViscosityI.H
@@ -58,7 +58,7 @@ Description
                 {
                     mutw[facei] =
                          muw[facei]
-                        *(yPlus*kappa_/log(E_*yPlus) - 1);
+                        *(yPlus*kappa_.value()/log(E_.value()*yPlus) - 1);
                 }
                 else
                 {
diff --git a/src/turbulenceModels/RAS/compressible/realizableKE/realizableKE.H b/src/turbulenceModels/RAS/compressible/realizableKE/realizableKE.H
index 1e70ab521d..510134ee6d 100644
--- a/src/turbulenceModels/RAS/compressible/realizableKE/realizableKE.H
+++ b/src/turbulenceModels/RAS/compressible/realizableKE/realizableKE.H
@@ -37,7 +37,20 @@ Description
         Jiang Zhu
 
         Computers and Fluids Vol. 24, No. 3, pp. 227-238, 1995
+    @endverbatim
+
+    The default model coefficients correspond to the following:
     @verbatim
+        realizableKE
+        {
+            Cmu         0.09;
+            A0          4.0;
+            C2          1.9;
+            alphak      1.0;
+            alphaEps    0.833333;
+            alphah      1.0;    // only for compressible
+        }
+    @endverbatim
 
 SourceFiles
     realizableKE.C
diff --git a/src/turbulenceModels/RAS/compressible/wallFunctions/mutWallFunctions/mutStandardRoughWallFunction/mutStandardRoughWallFunctionFvPatchScalarField.C b/src/turbulenceModels/RAS/compressible/wallFunctions/mutWallFunctions/mutStandardRoughWallFunction/mutStandardRoughWallFunctionFvPatchScalarField.C
index 5238bcda20..b019bfdd51 100644
--- a/src/turbulenceModels/RAS/compressible/wallFunctions/mutWallFunctions/mutStandardRoughWallFunction/mutStandardRoughWallFunctionFvPatchScalarField.C
+++ b/src/turbulenceModels/RAS/compressible/wallFunctions/mutWallFunctions/mutStandardRoughWallFunction/mutStandardRoughWallFunctionFvPatchScalarField.C
@@ -123,14 +123,14 @@ void mutStandardRoughWallFunctionFvPatchScalarField::evaluate
     const RASModel& rasModel
         = db().lookupObject<RASModel>("RASProperties");
 
-    const scalar kappa = rasModel.kappa();
-    const scalar E = rasModel.E();
+    const scalar kappa = rasModel.kappa().value();
+    const scalar E = rasModel.E().value();
     const scalar yPlusLam = 11.225;
 
     // The reciprical of the distance to the adjacent cell centre.
     const scalarField& ry = patch().deltaCoeffs();
 
-    const fvPatchVectorField& U = 
+    const fvPatchVectorField& U =
         patch().lookupPatchField<volVectorField, vector>("U");
 
     const fvPatchScalarField& rho =
@@ -139,7 +139,7 @@ void mutStandardRoughWallFunctionFvPatchScalarField::evaluate
     // The flow velocity at the adjacent cell centre.
     scalarField magUp = mag(U.patchInternalField() - U);
 
-    const scalarField& muw = 
+    const scalarField& muw =
         patch().lookupPatchField<volScalarField, scalar>("mu");
     scalarField& mutw = *this;
 
@@ -155,7 +155,7 @@ void mutStandardRoughWallFunctionFvPatchScalarField::evaluate
 
         //if (KsPlusBasedOnYPlus_)
         {
-            // If KsPlus is based on YPlus the extra term added to the law 
+            // If KsPlus is based on YPlus the extra term added to the law
             // of the wall will depend on yPlus.
             forAll(mutw, facei)
             {
@@ -206,7 +206,7 @@ void mutStandardRoughWallFunctionFvPatchScalarField::evaluate
                         const scalar sint_2 = sin(t_2);
                         const scalar logt_1 = log(t_1);
                         G = logt_1*sint_2;
-                        yPlusGPrime = 
+                        yPlusGPrime =
                             (c_1*sint_2*KsPlus/t_1) + (c_3*logt_1*cos(t_2));
                     }
 
@@ -268,7 +268,7 @@ void mutStandardRoughWallFunctionFvPatchScalarField::evaluate
                 mag(ryPlusLam*(yPlus - yPlusLast)) > 0.0001
              && ++iter < 10
             );
- 
+
             if (yPlus > yPlusLam)
             {
                 mutw[facei] = muw[facei]*(yPlus*yPlus/Re - 1);
@@ -291,7 +291,7 @@ void mutStandardRoughWallFunctionFvPatchScalarField::write(Ostream& os) const
         << roughnessConstant_ << token::END_STATEMENT << nl;
     os.writeKeyword("roughnessFudgeFactor")
         << roughnessFudgeFactor_ << token::END_STATEMENT << nl;
-} 
+}
 
 
 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
diff --git a/src/turbulenceModels/RAS/compressible/wallFunctions/wallFunctionsI.H b/src/turbulenceModels/RAS/compressible/wallFunctions/wallFunctionsI.H
index 19ae89d4ca..35b1a401cf 100644
--- a/src/turbulenceModels/RAS/compressible/wallFunctions/wallFunctionsI.H
+++ b/src/turbulenceModels/RAS/compressible/wallFunctions/wallFunctionsI.H
@@ -90,7 +90,7 @@ Description
 
                 epsilon_[faceCelli] +=
                     Cmu75*pow(k_[faceCelli], 1.5)
-                   /(kappa_*RASModel::y_[patchi][facei]);
+                   /(kappa_.value()*RASModel::y_[patchi][facei]);
 
                 if (yPlus > yPlusLam_)
                 {
@@ -98,7 +98,7 @@ Description
                         (mutw[facei] + muw[facei])
                        *magFaceGradU[facei]
                        *Cmu25*sqrt(k_[faceCelli])
-                       /(kappa_*RASModel::y_[patchi][facei]);
+                       /(kappa_.value()*RASModel::y_[patchi][facei]);
                 }
             }
         }
diff --git a/src/turbulenceModels/RAS/compressible/wallFunctions/wallViscosityI.H b/src/turbulenceModels/RAS/compressible/wallFunctions/wallViscosityI.H
index 938555e860..659e3286c2 100644
--- a/src/turbulenceModels/RAS/compressible/wallFunctions/wallViscosityI.H
+++ b/src/turbulenceModels/RAS/compressible/wallFunctions/wallViscosityI.H
@@ -58,7 +58,7 @@ Description
                 {
                     mutw[facei] =
                         muw[facei]
-                       *(yPlus*kappa_/log(E_*yPlus) - 1);
+                       *(yPlus*kappa_.value()/log(E_.value()*yPlus) - 1);
                 }
                 else
                 {
diff --git a/src/turbulenceModels/RAS/incompressible/LRR/LRR.H b/src/turbulenceModels/RAS/incompressible/LRR/LRR.H
index 84f2692e4a..e61319364d 100644
--- a/src/turbulenceModels/RAS/incompressible/LRR/LRR.H
+++ b/src/turbulenceModels/RAS/incompressible/LRR/LRR.H
@@ -29,6 +29,24 @@ Description
     Launder, Reece and Rodi Reynolds-stress turbulence model for
     incompressible flows.
 
+    The default model coefficients correspond to the following:
+    @verbatim
+        LRRCoeffs
+        {
+            Cmu         0.09;
+            Clrr1       1.8;
+            Clrr2       0.6;
+            C1          1.44;
+            C2          1.92;
+            Cs          0.25;
+            Ceps        0.15;
+            alphah      1.0;    // only for compressible
+            alphaEps    0.76923;
+            alphaR      1.22;   // only for compressible
+            couplingFactor  0.0;    // only for incompressible
+        }
+    @endverbatim
+
 SourceFiles
     LRR.C
 
diff --git a/src/turbulenceModels/RAS/incompressible/LaunderGibsonRSTM/LaunderGibsonRSTM.H b/src/turbulenceModels/RAS/incompressible/LaunderGibsonRSTM/LaunderGibsonRSTM.H
index d84ddbd93b..0bb147f3a5 100644
--- a/src/turbulenceModels/RAS/incompressible/LaunderGibsonRSTM/LaunderGibsonRSTM.H
+++ b/src/turbulenceModels/RAS/incompressible/LaunderGibsonRSTM/LaunderGibsonRSTM.H
@@ -28,6 +28,26 @@ Class
 Description
     Launder-Gibson Reynolds stress turbulence model for incompressible flows.
 
+    The default model coefficients correspond to the following:
+    @verbatim
+        LaunderGibsonRSTMCoeffs
+        {
+            Cmu         0.09;
+            Clg1        1.8;
+            Clg2        0.6;
+            C1          1.44;
+            C2          1.92;
+            C1Ref       0.5;
+            C2Ref       0.3;
+            Cs          0.25;
+            Ceps        0.15;
+            alphah      1.0;    // only for compressible
+            alphaEps    0.76923;
+            alphaR      1.22;
+            couplingFactor  0.0;
+        }
+    @endverbatim
+
 SourceFiles
     LaunderGibsonRSTM.C
 
diff --git a/src/turbulenceModels/RAS/incompressible/LaunderSharmaKE/LaunderSharmaKE.H b/src/turbulenceModels/RAS/incompressible/LaunderSharmaKE/LaunderSharmaKE.H
index e4e134d442..eb7a371d32 100644
--- a/src/turbulenceModels/RAS/incompressible/LaunderSharmaKE/LaunderSharmaKE.H
+++ b/src/turbulenceModels/RAS/incompressible/LaunderSharmaKE/LaunderSharmaKE.H
@@ -29,6 +29,20 @@ Description
     Launder and Sharma low-Reynolds k-epsilon turbulence model for
     incompressible flows.
 
+    The default model coefficients correspond to the following:
+    @verbatim
+        LaunderSharmaKECoeffs
+        {
+            Cmu         0.09;
+            C1          1.44;
+            C2          1.92;
+            C3          -0.33;
+            alphah      1.0;    // only for compressible
+            alphahk     1.0;    // only for compressible
+            alphaEps    0.76923;
+        }
+    @endverbatim
+
 SourceFiles
     LaunderSharmaKE.C
 
diff --git a/src/turbulenceModels/RAS/incompressible/LienCubicKELowRe/LienCubicKELowReSetWallDissipation.H b/src/turbulenceModels/RAS/incompressible/LienCubicKELowRe/LienCubicKELowReSetWallDissipation.H
index 76d0a20211..ef216dcf68 100644
--- a/src/turbulenceModels/RAS/incompressible/LienCubicKELowRe/LienCubicKELowReSetWallDissipation.H
+++ b/src/turbulenceModels/RAS/incompressible/LienCubicKELowRe/LienCubicKELowReSetWallDissipation.H
@@ -43,7 +43,7 @@
                 epsilon_[faceCelli] +=
                      Cmu75*pow(k_[faceCelli], 1.5)
                     /(
-                         kappa_*y_[faceCelli]
+                         kappa_.value()*y_[faceCelli]
                         *(1.0 - exp(-Aepsilon_.value()*yStar_[faceCelli]))
                      )
                     *exp(-Amu_.value()*sqr(yStar_[faceCelli]));
diff --git a/src/turbulenceModels/RAS/incompressible/LienLeschzinerLowRe/LienLeschzinerLowReSetWallDissipation.H b/src/turbulenceModels/RAS/incompressible/LienLeschzinerLowRe/LienLeschzinerLowReSetWallDissipation.H
index cfda062b59..a998d3af8e 100644
--- a/src/turbulenceModels/RAS/incompressible/LienLeschzinerLowRe/LienLeschzinerLowReSetWallDissipation.H
+++ b/src/turbulenceModels/RAS/incompressible/LienLeschzinerLowRe/LienLeschzinerLowReSetWallDissipation.H
@@ -43,7 +43,7 @@
                 epsilon_[faceCelli] +=
                      Cmu75*pow(k_[faceCelli], 1.5)
                     /(
-                         kappa_*y_[faceCelli]
+                         kappa_.value()*y_[faceCelli]
                          *(1.0 - exp(-Aepsilon*yStar_[faceCelli]))
                      )
                     *exp(-Amu*sqr(yStar_[faceCelli]));
diff --git a/src/turbulenceModels/RAS/incompressible/Make/files b/src/turbulenceModels/RAS/incompressible/Make/files
index e1ee8f4c18..c7746e7fd2 100644
--- a/src/turbulenceModels/RAS/incompressible/Make/files
+++ b/src/turbulenceModels/RAS/incompressible/Make/files
@@ -1,3 +1,4 @@
+/* RAS turbulence models */
 RASModel/RASModel.C
 RASModel/newRASModel.C
 laminar/laminar.C
@@ -16,8 +17,13 @@ NonlinearKEShih/NonlinearKEShih.C
 LienLeschzinerLowRe/LienLeschzinerLowRe.C
 LamBremhorstKE/LamBremhorstKE.C
 
+/* Wall functions */
 wallFunctions/nutWallFunctions/nutWallFunction/nutWallFunctionFvPatchScalarField.C
 wallFunctions/nutWallFunctions/nutStandardWallFunction/nutStandardWallFunctionFvPatchScalarField.C
 wallFunctions/nutWallFunctions/nutStandardRoughWallFunction/nutStandardRoughWallFunctionFvPatchScalarField.C
 
+/* Patch fields */
+derivedFvPatchFields/turbulentMixingLengthDissipationRateInlet/turbulentMixingLengthDissipationRateInletFvPatchScalarField.C
+derivedFvPatchFields/turbulentMixingLengthFrequencyInlet/turbulentMixingLengthFrequencyInletFvPatchScalarField.C
+
 LIB = $(FOAM_LIBBIN)/libincompressibleRASModels
diff --git a/src/turbulenceModels/RAS/incompressible/RASModel/RASModel.C b/src/turbulenceModels/RAS/incompressible/RASModel/RASModel.C
index 36567e7b8c..34be1e6e39 100644
--- a/src/turbulenceModels/RAS/incompressible/RASModel/RASModel.C
+++ b/src/turbulenceModels/RAS/incompressible/RASModel/RASModel.C
@@ -85,14 +85,24 @@ RASModel::RASModel
 
     kappa_
     (
-        subDict("wallFunctionCoeffs").lookupOrAddDefault<scalar>
+        dimensioned<scalar>::lookupOrAddToDict
         (
             "kappa",
+            subDict("wallFunctionCoeffs"),
             0.4187
         )
     ),
-    E_(subDict("wallFunctionCoeffs").lookupOrAddDefault<scalar>("E", 9.0)),
-    yPlusLam_(yPlusLam(kappa_, E_)),
+    E_
+    (
+        dimensioned<scalar>::lookupOrAddToDict
+        (
+            "E",
+            subDict("wallFunctionCoeffs"),
+            9.0
+        )
+    ),
+
+    yPlusLam_(yPlusLam(kappa_.value(), E_.value())),
 
     k0_("k0", dimVelocity*dimVelocity, SMALL),
     epsilon0_("epsilon", k0_.dimensions()/dimTime, SMALL),
@@ -168,14 +178,14 @@ bool RASModel::read()
         lookup("turbulence") >> turbulence_;
         coeffDict_ = subDict(type() + "Coeffs");
 
-        subDict("wallFunctionCoeffs").readIfPresent<scalar>("kappa", kappa_);
-        subDict("wallFunctionCoeffs").readIfPresent<scalar>("E", E_);
+        kappa_.readIfPresent(subDict("wallFunctionCoeffs"));
+        E_.readIfPresent(subDict("wallFunctionCoeffs"));
 
-        yPlusLam_ = yPlusLam(kappa_, E_);
+        yPlusLam_ = yPlusLam(kappa_.value(), E_.value());
 
-        readIfPresent("k0", k0_);
-        readIfPresent("epsilon0", epsilon0_);
-        readIfPresent("epsilonSmall", epsilonSmall_);
+        k0_.readIfPresent(*this);
+        epsilon0_.readIfPresent(*this);
+        epsilonSmall_.readIfPresent(*this);
 
         return true;
     }
diff --git a/src/turbulenceModels/RAS/incompressible/RASModel/RASModel.H b/src/turbulenceModels/RAS/incompressible/RASModel/RASModel.H
index 9944d6ffe0..40e087612e 100644
--- a/src/turbulenceModels/RAS/incompressible/RASModel/RASModel.H
+++ b/src/turbulenceModels/RAS/incompressible/RASModel/RASModel.H
@@ -88,8 +88,8 @@ protected:
         Switch printCoeffs_;
         dictionary coeffDict_;
 
-        scalar kappa_;
-        scalar E_;
+        dimensionedScalar kappa_;
+        dimensionedScalar E_;
 
         scalar yPlusLam(const scalar kappa, const scalar E);
         scalar yPlusLam_;
@@ -213,13 +213,13 @@ public:
 
 
             //- Return kappa for use in wall-functions
-            scalar kappa() const
+            dimensionedScalar kappa() const
             {
                 return kappa_;
             }
 
             //- Return E for use in wall-functions
-            scalar E() const
+            dimensionedScalar E() const
             {
                 return E_;
             }
@@ -232,7 +232,7 @@ public:
             }
 
             //- Const access to the coefficients dictionary
-            const dictionary& coeffDict()
+            const dictionary& coeffDict() const
             {
                 return coeffDict_;
             }
diff --git a/src/turbulenceModels/RAS/incompressible/RNGkEpsilon/RNGkEpsilon.H b/src/turbulenceModels/RAS/incompressible/RNGkEpsilon/RNGkEpsilon.H
index 58cd18a943..01b50d03ee 100644
--- a/src/turbulenceModels/RAS/incompressible/RNGkEpsilon/RNGkEpsilon.H
+++ b/src/turbulenceModels/RAS/incompressible/RNGkEpsilon/RNGkEpsilon.H
@@ -28,6 +28,22 @@ Class
 Description
     Renormalisation group k-epsilon turbulence model for incompressible flows.
 
+    The default model coefficients correspond to the following:
+    @verbatim
+        RNGkEpsilonCoeffs
+        {
+            Cmu         0.0845;
+            C1          1.42;
+            C2          1.68;
+            C3          -0.33;  // only for compressible
+            alphah      1.0;    // only for compressible
+            alphak      1.39;
+            alphaEps    1.39;
+            eta0        4.38;
+            beta        0.012;
+        }
+    @endverbatim
+
 SourceFiles
     RNGkEpsilon.C
 
diff --git a/src/turbulenceModels/RAS/incompressible/SpalartAllmaras/SpalartAllmaras.H b/src/turbulenceModels/RAS/incompressible/SpalartAllmaras/SpalartAllmaras.H
index 98fc25adb0..947eda2c88 100644
--- a/src/turbulenceModels/RAS/incompressible/SpalartAllmaras/SpalartAllmaras.H
+++ b/src/turbulenceModels/RAS/incompressible/SpalartAllmaras/SpalartAllmaras.H
@@ -42,7 +42,22 @@ Description
         for High Reynolds Number Compressible Flows"
         G.A. Ashford,
         Ph.D. thesis, University of Michigan, 1996.
+    @endverbatim
+
+    The default model coefficients correspond to the following:
     @verbatim
+        SpalartAllmarasCoeffs
+        {
+            Cb1         0.1355;
+            Cb2         0.622;
+            Cw2         0.3;
+            Cw3         2.0;
+            Cv1         7.1;
+            Cv2         5.0;
+            alphaNut    1.5;
+            alphah      1.0;    // only for compressible
+        }
+    @endverbatim
 
 SourceFiles
     SpalartAllmaras.C
diff --git a/src/turbulenceModels/RAS/incompressible/derivedFvPatchFields/turbulentMixingLengthDissipationRateInlet/turbulentMixingLengthDissipationRateInletFvPatchScalarField.C b/src/turbulenceModels/RAS/incompressible/derivedFvPatchFields/turbulentMixingLengthDissipationRateInlet/turbulentMixingLengthDissipationRateInletFvPatchScalarField.C
new file mode 100644
index 0000000000..b84182c636
--- /dev/null
+++ b/src/turbulenceModels/RAS/incompressible/derivedFvPatchFields/turbulentMixingLengthDissipationRateInlet/turbulentMixingLengthDissipationRateInletFvPatchScalarField.C
@@ -0,0 +1,149 @@
+/*---------------------------------------------------------------------------*\
+  =========                 |
+  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
+   \\    /   O peration     |
+    \\  /    A nd           | Copyright (C) 2006-2007 OpenCFD Ltd.
+     \\/     M anipulation  |
+-------------------------------------------------------------------------------
+License
+    This file is part of OpenFOAM.
+
+    OpenFOAM is free software; you can redistribute it and/or modify it
+    under the terms of the GNU General Public License as published by the
+    Free Software Foundation; either version 2 of the License, or (at your
+    option) any later version.
+
+    OpenFOAM is distributed in the hope that it will be useful, but WITHOUT
+    ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+    FITNESS FOR A PARTICULAR PURPOSE.  See the GNU General Public License
+    for more details.
+
+    You should have received a copy of the GNU General Public License
+    along with OpenFOAM; if not, write to the Free Software Foundation,
+    Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
+
+\*---------------------------------------------------------------------------*/
+
+#include "turbulentMixingLengthDissipationRateInletFvPatchScalarField.H"
+#include "addToRunTimeSelectionTable.H"
+#include "fvPatchFieldMapper.H"
+#include "surfaceFields.H"
+#include "volFields.H"
+#include "RASModel.H"
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+namespace Foam
+{
+
+// * * * * * * * * * * * * * * * * Constructors  * * * * * * * * * * * * * * //
+
+turbulentMixingLengthDissipationRateInletFvPatchScalarField::
+turbulentMixingLengthDissipationRateInletFvPatchScalarField
+(
+    const fvPatch& p,
+    const DimensionedField<scalar, volMesh>& iF
+)
+:
+    fixedValueFvPatchField<scalar>(p, iF),
+    mixingLength_(0.001)
+{}
+
+turbulentMixingLengthDissipationRateInletFvPatchScalarField::
+turbulentMixingLengthDissipationRateInletFvPatchScalarField
+(
+    const turbulentMixingLengthDissipationRateInletFvPatchScalarField& ptf,
+    const fvPatch& p,
+    const DimensionedField<scalar, volMesh>& iF,
+    const fvPatchFieldMapper& mapper
+)
+:
+    fixedValueFvPatchField<scalar>(ptf, p, iF, mapper),
+    mixingLength_(ptf.mixingLength_)
+{}
+
+turbulentMixingLengthDissipationRateInletFvPatchScalarField::
+turbulentMixingLengthDissipationRateInletFvPatchScalarField
+(
+    const fvPatch& p,
+    const DimensionedField<scalar, volMesh>& iF,
+    const dictionary& dict
+)
+:
+    fixedValueFvPatchField<scalar>(p, iF, dict),
+    mixingLength_(readScalar(dict.lookup("mixingLength")))
+{}
+
+turbulentMixingLengthDissipationRateInletFvPatchScalarField::
+turbulentMixingLengthDissipationRateInletFvPatchScalarField
+(
+    const turbulentMixingLengthDissipationRateInletFvPatchScalarField& ptf
+)
+:
+    fixedValueFvPatchField<scalar>(ptf),
+    mixingLength_(ptf.mixingLength_)
+{}
+
+turbulentMixingLengthDissipationRateInletFvPatchScalarField::
+turbulentMixingLengthDissipationRateInletFvPatchScalarField
+(
+    const turbulentMixingLengthDissipationRateInletFvPatchScalarField& ptf,
+    const DimensionedField<scalar, volMesh>& iF
+)
+:
+    fixedValueFvPatchField<scalar>(ptf, iF),
+    mixingLength_(ptf.mixingLength_)
+{}
+
+
+// * * * * * * * * * * * * * * * Member Functions  * * * * * * * * * * * * * //
+
+void turbulentMixingLengthDissipationRateInletFvPatchScalarField::updateCoeffs()
+{
+    if (updated())
+    {
+        return;
+    }
+
+    // Lookup Cmu corresponding to the turbulence model selected
+    const incompressible::RASModel& RAS =
+        db().lookupObject<incompressible::RASModel>("RASProperties");
+    scalar Cmu = readScalar(RAS.coeffDict().lookup("Cmu"));
+
+    scalar Cmu75 = pow(Cmu, 0.75);
+
+    const fvPatchField<scalar>& k =
+        patch().lookupPatchField<volScalarField, scalar>("k");
+
+    operator==(Cmu75*k*sqrt(k)/mixingLength_);
+
+    fixedValueFvPatchField<scalar>::updateCoeffs();
+}
+
+
+void turbulentMixingLengthDissipationRateInletFvPatchScalarField::write
+(
+    Ostream& os
+) const
+{
+    fvPatchField<scalar>::write(os);
+    os.writeKeyword("mixingLength")
+        << mixingLength_ << token::END_STATEMENT << nl;
+    writeEntry("value", os);
+}
+
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+makePatchTypeField
+(
+    fvPatchScalarField,
+    turbulentMixingLengthDissipationRateInletFvPatchScalarField
+);
+
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+} // End namespace Foam
+
+// ************************************************************************* //
diff --git a/src/turbulenceModels/RAS/incompressible/derivedFvPatchFields/turbulentMixingLengthDissipationRateInlet/turbulentMixingLengthDissipationRateInletFvPatchScalarField.H b/src/turbulenceModels/RAS/incompressible/derivedFvPatchFields/turbulentMixingLengthDissipationRateInlet/turbulentMixingLengthDissipationRateInletFvPatchScalarField.H
new file mode 100644
index 0000000000..7499126015
--- /dev/null
+++ b/src/turbulenceModels/RAS/incompressible/derivedFvPatchFields/turbulentMixingLengthDissipationRateInlet/turbulentMixingLengthDissipationRateInletFvPatchScalarField.H
@@ -0,0 +1,163 @@
+/*---------------------------------------------------------------------------*\
+  =========                 |
+  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
+   \\    /   O peration     |
+    \\  /    A nd           | Copyright (C) 2006-2007 OpenCFD Ltd.
+     \\/     M anipulation  |
+-------------------------------------------------------------------------------
+License
+    This file is part of OpenFOAM.
+
+    OpenFOAM is free software; you can redistribute it and/or modify it
+    under the terms of the GNU General Public License as published by the
+    Free Software Foundation; either version 2 of the License, or (at your
+    option) any later version.
+
+    OpenFOAM is distributed in the hope that it will be useful, but WITHOUT
+    ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+    FITNESS FOR A PARTICULAR PURPOSE.  See the GNU General Public License
+    for more details.
+
+    You should have received a copy of the GNU General Public License
+    along with OpenFOAM; if not, write to the Free Software Foundation,
+    Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
+
+Class
+    Foam::turbulentMixingLengthDissipationRateInletFvPatchScalarField
+
+Description
+    Calculate epsilon via the mixing length [m]
+
+    Example of the boundary condition specification:
+    @verbatim
+        inlet
+        {
+            type            turbulentMixingLengthDissipationRateInlet;
+            mixingLength    0.005;         // 5 mm
+            value           uniform 200;   // placeholder
+        }
+    @endverbatim
+
+SourceFiles
+    turbulentMixingLengthDissipationRateInletFvPatchScalarField.C
+
+\*---------------------------------------------------------------------------*/
+
+#ifndef turbulentMixingLengthDissipationRateInletFvPatchScalarField_H
+#define turbulentMixingLengthDissipationRateInletFvPatchScalarField_H
+
+#include "fixedValueFvPatchFields.H"
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+namespace Foam
+{
+
+/*---------------------------------------------------------------------------*\
+       Class turbulentMixingLengthDissipationRateInletFvPatch Declaration
+\*---------------------------------------------------------------------------*/
+
+class turbulentMixingLengthDissipationRateInletFvPatchScalarField
+:
+    public fixedValueFvPatchScalarField
+{
+    // Private data
+
+        //- turbulent length scale
+        scalar mixingLength_;
+
+public:
+
+    //- Runtime type information
+    TypeName("turbulentMixingLengthDissipationRateInlet");
+
+
+    // Constructors
+
+        //- Construct from patch and internal field
+        turbulentMixingLengthDissipationRateInletFvPatchScalarField
+        (
+            const fvPatch&,
+            const DimensionedField<scalar, volMesh>&
+        );
+
+        //- Construct from patch, internal field and dictionary
+        turbulentMixingLengthDissipationRateInletFvPatchScalarField
+        (
+            const fvPatch&,
+            const DimensionedField<scalar, volMesh>&,
+            const dictionary&
+        );
+
+        //- Construct by mapping given
+        //  turbulentMixingLengthDissipationRateInletFvPatchScalarField
+        //  onto a new patch
+        turbulentMixingLengthDissipationRateInletFvPatchScalarField
+        (
+            const turbulentMixingLengthDissipationRateInletFvPatchScalarField&,
+            const fvPatch&,
+            const DimensionedField<scalar, volMesh>&,
+            const fvPatchFieldMapper&
+        );
+
+        //- Construct as copy
+        turbulentMixingLengthDissipationRateInletFvPatchScalarField
+        (
+            const turbulentMixingLengthDissipationRateInletFvPatchScalarField&
+        );
+
+        //- Construct and return a clone
+        virtual tmp<fvPatchScalarField> clone() const
+        {
+            return tmp<fvPatchScalarField>
+            (
+                new turbulentMixingLengthDissipationRateInletFvPatchScalarField
+                (
+                    *this
+                )
+            );
+        }
+
+        //- Construct as copy setting internal field reference
+        turbulentMixingLengthDissipationRateInletFvPatchScalarField
+        (
+            const turbulentMixingLengthDissipationRateInletFvPatchScalarField&,
+            const DimensionedField<scalar, volMesh>&
+        );
+
+        //- Construct and return a clone setting internal field reference
+        virtual tmp<fvPatchScalarField> clone
+        (
+            const DimensionedField<scalar, volMesh>& iF
+        ) const
+        {
+            return tmp<fvPatchScalarField>
+            (
+                new turbulentMixingLengthDissipationRateInletFvPatchScalarField
+                (
+                    *this,
+                    iF
+                )
+            );
+        }
+
+
+    // Member functions
+
+        //- Update the coefficients associated with the patch field
+        virtual void updateCoeffs();
+
+        //- Write
+        virtual void write(Ostream&) const;
+};
+
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+} // End namespace Foam
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+#endif
+
+// ************************************************************************* //
diff --git a/src/turbulenceModels/RAS/incompressible/derivedFvPatchFields/turbulentMixingLengthFrequencyInlet/turbulentMixingLengthFrequencyInletFvPatchScalarField.C b/src/turbulenceModels/RAS/incompressible/derivedFvPatchFields/turbulentMixingLengthFrequencyInlet/turbulentMixingLengthFrequencyInletFvPatchScalarField.C
new file mode 100644
index 0000000000..2cb553c5c5
--- /dev/null
+++ b/src/turbulenceModels/RAS/incompressible/derivedFvPatchFields/turbulentMixingLengthFrequencyInlet/turbulentMixingLengthFrequencyInletFvPatchScalarField.C
@@ -0,0 +1,155 @@
+/*---------------------------------------------------------------------------*\
+  =========                 |
+  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
+   \\    /   O peration     |
+    \\  /    A nd           | Copyright (C) 2006-2007 OpenCFD Ltd.
+     \\/     M anipulation  |
+-------------------------------------------------------------------------------
+License
+    This file is part of OpenFOAM.
+
+    OpenFOAM is free software; you can redistribute it and/or modify it
+    under the terms of the GNU General Public License as published by the
+    Free Software Foundation; either version 2 of the License, or (at your
+    option) any later version.
+
+    OpenFOAM is distributed in the hope that it will be useful, but WITHOUT
+    ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+    FITNESS FOR A PARTICULAR PURPOSE.  See the GNU General Public License
+    for more details.
+
+    You should have received a copy of the GNU General Public License
+    along with OpenFOAM; if not, write to the Free Software Foundation,
+    Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
+
+\*---------------------------------------------------------------------------*/
+
+#include "turbulentMixingLengthFrequencyInletFvPatchScalarField.H"
+#include "addToRunTimeSelectionTable.H"
+#include "fvPatchFieldMapper.H"
+#include "surfaceFields.H"
+#include "volFields.H"
+#include "RASModel.H"
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+namespace Foam
+{
+
+// * * * * * * * * * * * * * * * * Constructors  * * * * * * * * * * * * * * //
+
+turbulentMixingLengthFrequencyInletFvPatchScalarField::
+turbulentMixingLengthFrequencyInletFvPatchScalarField
+(
+    const fvPatch& p,
+    const DimensionedField<scalar, volMesh>& iF
+)
+:
+    fixedValueFvPatchField<scalar>(p, iF),
+    mixingLength_(0.0),
+    kName_("undefined-k")
+{}
+
+turbulentMixingLengthFrequencyInletFvPatchScalarField::
+turbulentMixingLengthFrequencyInletFvPatchScalarField
+(
+    const turbulentMixingLengthFrequencyInletFvPatchScalarField& ptf,
+    const fvPatch& p,
+    const DimensionedField<scalar, volMesh>& iF,
+    const fvPatchFieldMapper& mapper
+)
+:
+    fixedValueFvPatchField<scalar>(ptf, p, iF, mapper),
+    mixingLength_(ptf.mixingLength_),
+    kName_(ptf.kName_)
+{}
+
+turbulentMixingLengthFrequencyInletFvPatchScalarField::
+turbulentMixingLengthFrequencyInletFvPatchScalarField
+(
+    const fvPatch& p,
+    const DimensionedField<scalar, volMesh>& iF,
+    const dictionary& dict
+)
+:
+    fixedValueFvPatchField<scalar>(p, iF, dict),
+    mixingLength_(readScalar(dict.lookup("mixingLength"))),
+    kName_(dict.lookup("k"))
+{}
+
+turbulentMixingLengthFrequencyInletFvPatchScalarField::
+turbulentMixingLengthFrequencyInletFvPatchScalarField
+(
+    const turbulentMixingLengthFrequencyInletFvPatchScalarField& ptf
+)
+:
+    fixedValueFvPatchField<scalar>(ptf),
+    mixingLength_(ptf.mixingLength_),
+    kName_(ptf.kName_)
+{}
+
+turbulentMixingLengthFrequencyInletFvPatchScalarField::
+turbulentMixingLengthFrequencyInletFvPatchScalarField
+(
+    const turbulentMixingLengthFrequencyInletFvPatchScalarField& ptf,
+    const DimensionedField<scalar, volMesh>& iF
+)
+:
+    fixedValueFvPatchField<scalar>(ptf, iF),
+    mixingLength_(ptf.mixingLength_),
+    kName_(ptf.kName_)
+{}
+
+
+// * * * * * * * * * * * * * * * Member Functions  * * * * * * * * * * * * * //
+
+void turbulentMixingLengthFrequencyInletFvPatchScalarField::updateCoeffs()
+{
+    if (updated())
+    {
+        return;
+    }
+
+    // Lookup Cmu corresponding to the turbulence model selected
+    const incompressible::RASModel& RAS =
+        db().lookupObject<incompressible::RASModel>("RASProperties");
+    scalar Cmu = readScalar(RAS.coeffDict().lookup("Cmu"));
+
+    scalar Cmu25 = pow(Cmu, 0.25);
+
+    const fvPatchField<scalar>& kp =
+        patch().lookupPatchField<volScalarField, scalar>(kName_);
+
+    operator==(sqrt(kp)/(Cmu25*mixingLength_));
+
+    fixedValueFvPatchField<scalar>::updateCoeffs();
+}
+
+
+void turbulentMixingLengthFrequencyInletFvPatchScalarField::write
+(
+    Ostream& os
+) const
+{
+    fvPatchField<scalar>::write(os);
+    os.writeKeyword("mixingLength")
+        << mixingLength_ << token::END_STATEMENT << nl;
+    os.writeKeyword("k") << kName_ << token::END_STATEMENT << nl;
+    writeEntry("value", os);
+}
+
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+makePatchTypeField
+(
+    fvPatchScalarField,
+    turbulentMixingLengthFrequencyInletFvPatchScalarField
+);
+
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+} // End namespace Foam
+
+// ************************************************************************* //
diff --git a/src/turbulenceModels/RAS/incompressible/derivedFvPatchFields/turbulentMixingLengthFrequencyInlet/turbulentMixingLengthFrequencyInletFvPatchScalarField.H b/src/turbulenceModels/RAS/incompressible/derivedFvPatchFields/turbulentMixingLengthFrequencyInlet/turbulentMixingLengthFrequencyInletFvPatchScalarField.H
new file mode 100644
index 0000000000..b562709968
--- /dev/null
+++ b/src/turbulenceModels/RAS/incompressible/derivedFvPatchFields/turbulentMixingLengthFrequencyInlet/turbulentMixingLengthFrequencyInletFvPatchScalarField.H
@@ -0,0 +1,168 @@
+/*---------------------------------------------------------------------------*\
+  =========                 |
+  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
+   \\    /   O peration     |
+    \\  /    A nd           | Copyright (C) 2006-2007 OpenCFD Ltd.
+     \\/     M anipulation  |
+-------------------------------------------------------------------------------
+License
+    This file is part of OpenFOAM.
+
+    OpenFOAM is free software; you can redistribute it and/or modify it
+    under the terms of the GNU General Public License as published by the
+    Free Software Foundation; either version 2 of the License, or (at your
+    option) any later version.
+
+    OpenFOAM is distributed in the hope that it will be useful, but WITHOUT
+    ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+    FITNESS FOR A PARTICULAR PURPOSE.  See the GNU General Public License
+    for more details.
+
+    You should have received a copy of the GNU General Public License
+    along with OpenFOAM; if not, write to the Free Software Foundation,
+    Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
+
+Class
+    Foam::turbulentMixingLengthFrequencyInletFvPatchScalarField
+
+Description
+    Calculate omega via the mixing length
+
+    Example of the boundary condition specification:
+    @verbatim
+        inlet
+        {
+            type            turbulentMixingLengthFrequencyInlet;
+            mixingLength    0.005;         // 5 mm
+            k               k;             // turbulent k field
+            value           uniform 5;     // initial value
+        }
+    @endverbatim
+
+SourceFiles
+    turbulentMixingLengthFrequencyInletFvPatchScalarField.C
+
+\*---------------------------------------------------------------------------*/
+
+#ifndef turbulentMixingLengthFrequencyInletFvPatchScalarField_H
+#define turbulentMixingLengthFrequencyInletFvPatchScalarField_H
+
+#include "fixedValueFvPatchFields.H"
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+namespace Foam
+{
+
+/*---------------------------------------------------------------------------*\
+    Class turbulentMixingLengthFrequencyInletFvPatchScalarField Declaration
+\*---------------------------------------------------------------------------*/
+
+class turbulentMixingLengthFrequencyInletFvPatchScalarField
+:
+    public fixedValueFvPatchScalarField
+{
+    // Private data
+
+        //- Turbulent length scale
+        scalar mixingLength_;
+
+        //- Name of the turbulent kinetic energy field
+        word kName_;
+
+
+public:
+
+    //- Runtime type information
+    TypeName("turbulentMixingLengthFrequencyInlet");
+
+
+    // Constructors
+
+        //- Construct from patch and internal field
+        turbulentMixingLengthFrequencyInletFvPatchScalarField
+        (
+            const fvPatch&,
+            const DimensionedField<scalar, volMesh>&
+        );
+
+        //- Construct from patch, internal field and dictionary
+        turbulentMixingLengthFrequencyInletFvPatchScalarField
+        (
+            const fvPatch&,
+            const DimensionedField<scalar, volMesh>&,
+            const dictionary&
+        );
+
+        //- Construct by mapping given
+        //  turbulentMixingLengthFrequencyInletFvPatchScalarField
+        //  onto a new patch
+        turbulentMixingLengthFrequencyInletFvPatchScalarField
+        (
+            const turbulentMixingLengthFrequencyInletFvPatchScalarField&,
+            const fvPatch&,
+            const DimensionedField<scalar, volMesh>&,
+            const fvPatchFieldMapper&
+        );
+
+        //- Construct as copy
+        turbulentMixingLengthFrequencyInletFvPatchScalarField
+        (
+            const turbulentMixingLengthFrequencyInletFvPatchScalarField&
+        );
+
+        //- Construct and return a clone
+        virtual tmp<fvPatchScalarField> clone() const
+        {
+            return tmp<fvPatchScalarField>
+            (
+                new turbulentMixingLengthFrequencyInletFvPatchScalarField
+                (
+                    *this
+                )
+            );
+        }
+
+        //- Construct as copy setting internal field reference
+        turbulentMixingLengthFrequencyInletFvPatchScalarField
+        (
+            const turbulentMixingLengthFrequencyInletFvPatchScalarField&,
+            const DimensionedField<scalar, volMesh>&
+        );
+
+        //- Construct and return a clone setting internal field reference
+        virtual tmp<fvPatchScalarField> clone
+        (
+            const DimensionedField<scalar, volMesh>& iF
+        ) const
+        {
+            return tmp<fvPatchScalarField>
+            (
+                new turbulentMixingLengthFrequencyInletFvPatchScalarField
+                (
+                    *this,
+                    iF
+                )
+            );
+        }
+
+
+    // Member functions
+
+        //- Update the coefficients associated with the patch field
+        virtual void updateCoeffs();
+
+        //- Write
+        virtual void write(Ostream&) const;
+};
+
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+} // End namespace Foam
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+#endif
+
+// ************************************************************************* //
diff --git a/src/turbulenceModels/RAS/incompressible/kEpsilon/kEpsilon.H b/src/turbulenceModels/RAS/incompressible/kEpsilon/kEpsilon.H
index c3383f2d36..b0e93d3a47 100644
--- a/src/turbulenceModels/RAS/incompressible/kEpsilon/kEpsilon.H
+++ b/src/turbulenceModels/RAS/incompressible/kEpsilon/kEpsilon.H
@@ -28,6 +28,20 @@ Class
 Description
     Standard k-epsilon turbulence model for incompressible flows.
 
+    The default model coefficients correspond to the following:
+    @verbatim
+        kEpsilonCoeffs
+        {
+            Cmu         0.09;
+            C1          1.44;
+            C2          1.92;
+            C3          -0.33;  // only for compressible
+            alphak      1.0;    // only for compressible
+            alphaEps    0.76923;
+            alphah      1.0;    // only for compressible
+        }
+    @endverbatim
+
 SourceFiles
     kEpsilon.C
 
diff --git a/src/turbulenceModels/RAS/incompressible/kOmegaSST/kOmegaSST.H b/src/turbulenceModels/RAS/incompressible/kOmegaSST/kOmegaSST.H
index 418b759d24..da3c2dc064 100644
--- a/src/turbulenceModels/RAS/incompressible/kOmegaSST/kOmegaSST.H
+++ b/src/turbulenceModels/RAS/incompressible/kOmegaSST/kOmegaSST.H
@@ -53,6 +53,26 @@ Description
     uncertainty in their origin, range of applicability and that is y+ becomes
     sufficiently small blending u_tau in this manner clearly becomes nonsense.
 
+    The default model coefficients correspond to the following:
+    @verbatim
+        kOmegaSST
+        {
+            Cmu         0.09;
+            alphaK1     0.85034;
+            alphaK2     1.0;
+            alphaOmega1 0.5;
+            alphaOmega2 0.85616;
+            alphah      1.0;    // only for compressible
+            beta1       0.075;
+            beta2       0.0828;
+            betaStar    0.09;
+            gamma1      0.5532;
+            gamma2      0.4403;
+            a1          0.31;
+            c1          10.0;
+        }
+    @endverbatim
+
 SourceFiles
     kOmegaSST.C
     kOmegaWallFunctionsI.H
diff --git a/src/turbulenceModels/RAS/incompressible/kOmegaSST/kOmegaWallFunctionsI.H b/src/turbulenceModels/RAS/incompressible/kOmegaSST/kOmegaWallFunctionsI.H
index 3b3a8a59bf..ab2bcc148e 100644
--- a/src/turbulenceModels/RAS/incompressible/kOmegaSST/kOmegaWallFunctionsI.H
+++ b/src/turbulenceModels/RAS/incompressible/kOmegaSST/kOmegaWallFunctionsI.H
@@ -87,7 +87,7 @@ Description
 
                 omega_[faceCelli] +=
                     sqrt(k_[faceCelli])
-                   /(Cmu25*kappa_*y_[faceCelli]);
+                   /(Cmu25*kappa_.value()*y_[faceCelli]);
 
                 if (yPlus > yPlusLam_)
                 {
@@ -95,7 +95,7 @@ Description
                         (nutw[facei] + nuw[facei])
                        *magFaceGradU[facei]
                        *Cmu25*sqrt(k_[faceCelli])
-                       /(kappa_*y_[faceCelli]);
+                       /(kappa_.value()*y_[faceCelli]);
                 }
             }
         }
diff --git a/src/turbulenceModels/RAS/incompressible/kOmegaSST/kOmegaWallViscosityI.H b/src/turbulenceModels/RAS/incompressible/kOmegaSST/kOmegaWallViscosityI.H
index 3231565d7a..f2667bc675 100644
--- a/src/turbulenceModels/RAS/incompressible/kOmegaSST/kOmegaWallViscosityI.H
+++ b/src/turbulenceModels/RAS/incompressible/kOmegaSST/kOmegaWallViscosityI.H
@@ -55,7 +55,7 @@ Description
                 {
                     nutw[facei] =
                          nuw[facei]
-                        *(yPlus*kappa_/log(E_*yPlus) - 1);
+                        *(yPlus*kappa_.value()/log(E_.value()*yPlus) - 1);
                 }
                 else
                 {
diff --git a/src/turbulenceModels/RAS/incompressible/realizableKE/realizableKE.H b/src/turbulenceModels/RAS/incompressible/realizableKE/realizableKE.H
index 84b5855953..7a38d7e62d 100644
--- a/src/turbulenceModels/RAS/incompressible/realizableKE/realizableKE.H
+++ b/src/turbulenceModels/RAS/incompressible/realizableKE/realizableKE.H
@@ -37,8 +37,20 @@ Description
         Jiang Zhu
 
         Computers and Fluids Vol. 24, No. 3, pp. 227-238, 1995
-    @verbatim
+    @endverbatim
 
+    The default model coefficients correspond to the following:
+    @verbatim
+        realizableKE
+        {
+            Cmu         0.09;
+            A0          4.0;
+            C2          1.9;
+            alphak      1.0;
+            alphaEps    0.833333;
+            alphah      1.0;    // only for compressible
+        }
+    @endverbatim
 
 SourceFiles
     realizableKE.C
diff --git a/src/turbulenceModels/RAS/incompressible/wallFunctions/nonLinearWallFunctionsI.H b/src/turbulenceModels/RAS/incompressible/wallFunctions/nonLinearWallFunctionsI.H
index 07967c87d9..f286ad0b67 100644
--- a/src/turbulenceModels/RAS/incompressible/wallFunctions/nonLinearWallFunctionsI.H
+++ b/src/turbulenceModels/RAS/incompressible/wallFunctions/nonLinearWallFunctionsI.H
@@ -89,7 +89,7 @@ Description
 
                 epsilon_[faceCelli] +=
                      Cmu75*pow(k_[faceCelli], 1.5)
-                    /(kappa_*y_[patchi][facei]);
+                    /(kappa_.value()*y_[patchi][facei]);
 
                 if (yPlus > yPlusLam_)
                 {
@@ -97,7 +97,7 @@ Description
                         (nutw[facei] + nuw[facei])
                         *magFaceGradU[facei]
                         *Cmu25*sqrt(k_[faceCelli])
-                        /(kappa_*y_[patchi][facei])
+                        /(kappa_.value()*y_[patchi][facei])
                       - (nonlinearStress_[faceCelli] && gradU_[faceCelli]);
                 }
             }
diff --git a/src/turbulenceModels/RAS/incompressible/wallFunctions/nutWallFunctions/nutStandardRoughWallFunction/nutStandardRoughWallFunctionFvPatchScalarField.C b/src/turbulenceModels/RAS/incompressible/wallFunctions/nutWallFunctions/nutStandardRoughWallFunction/nutStandardRoughWallFunctionFvPatchScalarField.C
index 2f242c1a4f..dcc849510e 100644
--- a/src/turbulenceModels/RAS/incompressible/wallFunctions/nutWallFunctions/nutStandardRoughWallFunction/nutStandardRoughWallFunctionFvPatchScalarField.C
+++ b/src/turbulenceModels/RAS/incompressible/wallFunctions/nutWallFunctions/nutStandardRoughWallFunction/nutStandardRoughWallFunctionFvPatchScalarField.C
@@ -123,8 +123,8 @@ void nutStandardRoughWallFunctionFvPatchScalarField::evaluate
     const RASModel& rasModel
         = db().lookupObject<RASModel>("RASProperties");
 
-    const scalar kappa = rasModel.kappa();
-    const scalar E = rasModel.E();
+    const scalar kappa = rasModel.kappa().value();
+    const scalar E = rasModel.E().value();
     const scalar yPlusLam = 11.225;
 
     // The reciprical of the distance to the adjacent cell centre.
diff --git a/src/turbulenceModels/RAS/incompressible/wallFunctions/nutWallFunctions/nutStandardWallFunction/nutStandardWallFunctionFvPatchScalarField.C b/src/turbulenceModels/RAS/incompressible/wallFunctions/nutWallFunctions/nutStandardWallFunction/nutStandardWallFunctionFvPatchScalarField.C
index 3eee19f990..d1ffe669de 100644
--- a/src/turbulenceModels/RAS/incompressible/wallFunctions/nutWallFunctions/nutStandardWallFunction/nutStandardWallFunctionFvPatchScalarField.C
+++ b/src/turbulenceModels/RAS/incompressible/wallFunctions/nutWallFunctions/nutStandardWallFunction/nutStandardWallFunctionFvPatchScalarField.C
@@ -108,9 +108,9 @@ void nutStandardWallFunctionFvPatchScalarField::evaluate
     const RASModel& rasModel
         = db().lookupObject<RASModel>("RASProperties");
 
-    scalar kappa = rasModel.kappa();
-    scalar E = rasModel.E();
-    scalar yPlusLam = rasModel.E();
+    scalar kappa = rasModel.kappa().value();
+    scalar E = rasModel.E().value();
+    scalar yPlusLam = rasModel.yPlusLam();
 
     const scalarField& ry = patch().deltaCoeffs();
 
diff --git a/src/turbulenceModels/RAS/incompressible/wallFunctions/nutWallFunctions/nutWallFunction/nutWallFunctionFvPatchScalarField.C b/src/turbulenceModels/RAS/incompressible/wallFunctions/nutWallFunctions/nutWallFunction/nutWallFunctionFvPatchScalarField.C
index 12dc46e96d..7ec3523fd7 100644
--- a/src/turbulenceModels/RAS/incompressible/wallFunctions/nutWallFunctions/nutWallFunction/nutWallFunctionFvPatchScalarField.C
+++ b/src/turbulenceModels/RAS/incompressible/wallFunctions/nutWallFunctions/nutWallFunction/nutWallFunctionFvPatchScalarField.C
@@ -100,8 +100,8 @@ void nutWallFunctionFvPatchScalarField::evaluate(const Pstream::commsTypes)
     const RASModel& rasModel
         = db().lookupObject<RASModel>("RASProperties");
 
-    scalar kappa = rasModel.kappa();
-    scalar E = rasModel.E();
+    scalar kappa = rasModel.kappa().value();
+    scalar E = rasModel.E().value();
 
     const scalarField& ry = patch().deltaCoeffs();
 
diff --git a/src/turbulenceModels/RAS/incompressible/wallFunctions/wallFunctionsI.H b/src/turbulenceModels/RAS/incompressible/wallFunctions/wallFunctionsI.H
index 52c4b0c0e1..c5f97fc043 100644
--- a/src/turbulenceModels/RAS/incompressible/wallFunctions/wallFunctionsI.H
+++ b/src/turbulenceModels/RAS/incompressible/wallFunctions/wallFunctionsI.H
@@ -88,7 +88,7 @@ Description
 
                 epsilon_[faceCelli] +=
                      Cmu75*pow(k_[faceCelli], 1.5)
-                    /(kappa_*RASModel::y_[patchi][facei]);
+                    /(kappa_.value()*RASModel::y_[patchi][facei]);
 
                 if (yPlus > yPlusLam_)
                 {
@@ -96,7 +96,7 @@ Description
                         (nutw[facei] + nuw[facei])
                        *magFaceGradU[facei]
                        *Cmu25*sqrt(k_[faceCelli])
-                       /(kappa_*RASModel::y_[patchi][facei]);
+                       /(kappa_.value()*RASModel::y_[patchi][facei]);
                 }
             }
         }
diff --git a/src/turbulenceModels/RAS/incompressible/wallFunctions/wallNonlinearViscosityI.H b/src/turbulenceModels/RAS/incompressible/wallFunctions/wallNonlinearViscosityI.H
index d1d3617e92..05bc8411ab 100644
--- a/src/turbulenceModels/RAS/incompressible/wallFunctions/wallNonlinearViscosityI.H
+++ b/src/turbulenceModels/RAS/incompressible/wallFunctions/wallNonlinearViscosityI.H
@@ -55,7 +55,7 @@ Description
                 if (yPlus > yPlusLam_)
                 {
                     nutw[facei] = nuw[facei]
-                        *(yPlus*kappa_/log(E_*yPlus) - 1);
+                        *(yPlus*kappa_.value()/log(E_.value()*yPlus) - 1);
                 }
                 else
                 {
diff --git a/src/turbulenceModels/RAS/incompressible/wallFunctions/wallViscosityI.H b/src/turbulenceModels/RAS/incompressible/wallFunctions/wallViscosityI.H
index 82a47f39b9..9a7fe62d3e 100644
--- a/src/turbulenceModels/RAS/incompressible/wallFunctions/wallViscosityI.H
+++ b/src/turbulenceModels/RAS/incompressible/wallFunctions/wallViscosityI.H
@@ -55,7 +55,7 @@ Description
                 {
                     nutw[facei] =
                          nuw[facei]
-                        *(yPlus*kappa_/log(E_*yPlus) - 1);
+                        *(yPlus*kappa_.value()/log(E_.value()*yPlus) - 1);
                 }
                 else
                 {
diff --git a/tutorials/gnemdFoam/constrictedChannel/constant/polyMesh/blockMeshDict b/tutorials/gnemdFoam/constrictedChannel/constant/polyMesh/blockMeshDict
new file mode 100644
index 0000000000..c7ee598f50
--- /dev/null
+++ b/tutorials/gnemdFoam/constrictedChannel/constant/polyMesh/blockMeshDict
@@ -0,0 +1,172 @@
+/*---------------------------------------------------------------------------*\
+| =========                 |                                                 |
+| \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox           |
+|  \\    /   O peration     | Version:  1.3                                   |
+|   \\  /    A nd           | Web:      http://www.openfoam.org               |
+|    \\/     M anipulation  |                                                 |
+\*---------------------------------------------------------------------------*/
+
+FoamFile
+{
+    version         2.0;
+    format          ascii;
+
+    root            "";
+    case            "";
+    instance        "";
+    local           "";
+
+    class           dictionary;
+    object          blockMeshDict;
+}
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+convertToMeters 0.25e-9;
+
+vertices        
+(
+	(0 0 0) //0
+	(15 0 0)
+	(15 3 0)
+	(0 3 0)
+	(0 0 12)
+	(15 0 12)
+	(15 3 12)
+	(0 3 12) //7
+	(22 0 0)
+	(22 3 0)
+	(22 0 12)
+	(22 3 12) //11
+	(31 0 0)
+	(31 3 0)
+	(31 0 12)
+	(31 3 12) //15
+	(20 9 0)
+	(17 9 0)
+	(20 9 12)
+	(17 9 12) //19
+	(0 9 0)
+	(0 9 12) //21
+	(31 9 0)
+	(31 9 12) //23
+	(17 18 0)
+	(0 18 0)
+	(17 18 12)
+	(0 18 12) //27
+	(31 18 0)
+	(20 18 0)
+	(31 18 12)
+	(20 18 12) //31
+	(17 21 0)
+	(0 21 0)
+	(17 21 12)
+	(0 21 12) //35
+	(31 21 0)
+	(20 21 0)
+	(31 21 12)
+	(20 21 12) //39
+	(17 25 0)
+	(0 25 0)
+	(17 25 12)
+	(0 25 12) // 43
+	(31 25 0)
+	(20 25 0)
+	(31 25 12)
+	(20 25 12) // 47
+);
+
+blocks          
+(
+ hex (0 1 2 3 4 5 6 7) bottomWall (15 3 6) simpleGrading (1 1 1) //1
+ hex (1 8 9 2 5 10 11 6) bottomWall (3 3 6) simpleGrading (1 1 1) //2
+ hex (2 9 16 17 6 11 18 19) bottomWall (3 6 6) simpleGrading (1 1 1) //3
+ hex (8 12 13 9 10 14 15 11) bottomWall (9 3 6) simpleGrading (1 1 1) //4
+ hex (3 2 17 20 7 6 19 21) liquid (15 6 6) simpleGrading (1 1 1) //5
+ hex (20 17 24 25 21 19 26 27) liquid (15 9 6) simpleGrading (1 1 1) //6
+ hex (25 24 32 33 27 26 34 35) liquid (15 3 6) simpleGrading (1 1 1) //6A
+ hex (17 16 29 24 19 18 31 26) liquid (3 9 6) simpleGrading (1 1 1) //7
+ hex (16 22 28 29 18 23 30 31) liquid (9 9 6) simpleGrading (1 1 1) //8
+ hex (29 28 36 37 31 30 38 39) liquid (9 3 6) simpleGrading (1 1 1) //8A
+ hex (9 13 22 16 11 15 23 18) liquid (9 6 6) simpleGrading (1 1 1) //9
+ hex (33 32 40 41 35 34 42 43) topWall (15 3 6) simpleGrading (1 1 1) //10
+ hex (32 37 45 40 34 39 47 42) topWall (3 3 6) simpleGrading (1 1 1) //11
+ hex (24 29 37 32 26 31 39 34) topWall (3 3 6) simpleGrading (1 1 1) //12
+ hex (37 36 44 45 39 38 46 47) topWall (9 3 6) simpleGrading (1 1 1) //13
+);
+
+patches         
+(
+	cyclic
+	periodicX
+	(
+		(0 4 7 3)
+		(3 7 21 20)
+		(20 21 27 25)
+		(25 27 35 33)
+		(33 35 43 41)
+		(12 13 15 14)
+		(13 22 23 15)
+		(22 28 30 23)
+		(28 36 38 30)
+		(36 44 46 38)
+	)
+
+	cyclic
+	periodicZ
+	(
+		(0 3 2 1)
+		(1 2 9 8)
+		(8 9 13 12)
+		(2 17 16 9)
+		(2 3 20 17)
+		(9 16 22 13)
+		(17 20 25 24)
+		(16 29 28 22)
+		(16 17 24 29)
+		(24 25 33 32)
+		(28 29 37 36)
+		(32 33 41 40)
+		(36 37 45 44)
+		(32 40 45 37)
+		(24 32 37 29)
+		(4 5 6 7)
+		(5 10 11 6)
+		(10 14 15 11)
+		(6 11 18 19)
+		(7 6 19 21)
+		(11 15 23 18)
+		(19 26 27 21)
+		(18 23 30 31)
+		(18 31 26 19)
+		(26 34 35 27)
+		(30 38 39 31)
+		(34 42 43 35)
+		(38 46 47 39)
+		(34 39 47 42)
+		(26 31 39 34)
+	)
+
+	wall
+	outerBoundaryBottom
+	(
+		(0 1 5 4)
+		(1 8 10 5)
+		(8 12 14 10)
+	)
+	
+	wall
+	outerBoundaryTop
+	(
+		(40 41 43 42)
+		(44 45 47 46)
+		(40 42 47 45)
+	)
+);
+
+mergePatchPairs 
+(
+);
+
+
+// ************************************************************************* //
diff --git a/tutorials/gnemdFoam/constrictedChannel/constant/polyMesh/boundary b/tutorials/gnemdFoam/constrictedChannel/constant/polyMesh/boundary
new file mode 100644
index 0000000000..eaeb38f09e
--- /dev/null
+++ b/tutorials/gnemdFoam/constrictedChannel/constant/polyMesh/boundary
@@ -0,0 +1,48 @@
+/*--------------------------------*- C++ -*----------------------------------*\
+| =========                 |                                                 |
+| \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox           |
+|  \\    /   O peration     | Version:  dev                                   |
+|   \\  /    A nd           | Web:      http://www.OpenFOAM.org               |
+|    \\/     M anipulation  |                                                 |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+    version     2.0;
+    format      ascii;
+    class       polyBoundaryMesh;
+    location    "constant/polyMesh";
+    object      boundary;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+4
+(
+    periodicX
+    {
+        type            cyclic;
+        nFaces          288;
+        startFace       10710;
+        featureCos      0.9;
+    }
+    periodicZ
+    {
+        type            cyclic;
+        nFaces          1296;
+        startFace       10998;
+        featureCos      0.9;
+    }
+    outerBoundaryBottom
+    {
+        type            wall;
+        nFaces          162;
+        startFace       12294;
+    }
+    outerBoundaryTop
+    {
+        type            wall;
+        nFaces          162;
+        startFace       12456;
+    }
+)
+
+// ************************************************************************* //
diff --git a/tutorials/gnemdFoam/constrictedChannel/constant/polyMesh/cellZones b/tutorials/gnemdFoam/constrictedChannel/constant/polyMesh/cellZones
new file mode 100644
index 0000000000..80eac3fa56
--- /dev/null
+++ b/tutorials/gnemdFoam/constrictedChannel/constant/polyMesh/cellZones
@@ -0,0 +1,3939 @@
+/*--------------------------------*- C++ -*----------------------------------*\
+| =========                 |                                                 |
+| \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox           |
+|  \\    /   O peration     | Version:  dev                                   |
+|   \\  /    A nd           | Web:      http://www.OpenFOAM.org               |
+|    \\/     M anipulation  |                                                 |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+    version     2.0;
+    format      ascii;
+    class       regIOobject;
+    location    "constant/polyMesh";
+    object      cellZones;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+3
+(
+bottomWall
+{
+    type cellZone;
+cellLabels      List<label> 
+594
+(
+0
+1
+2
+3
+4
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+)
+;
+}
+
+liquid
+{
+    type cellZone;
+cellLabels      List<label> 
+2754
+(
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+;
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+
+topWall
+{
+    type cellZone;
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+;
+}
+)
+
+// ************************************************************************* //
diff --git a/tutorials/gnemdFoam/constrictedChannel/constant/polyMesh/faces b/tutorials/gnemdFoam/constrictedChannel/constant/polyMesh/faces
new file mode 100644
index 0000000000..722effb830
--- /dev/null
+++ b/tutorials/gnemdFoam/constrictedChannel/constant/polyMesh/faces
@@ -0,0 +1,12642 @@
+/*--------------------------------*- C++ -*----------------------------------*\
+| =========                 |                                                 |
+| \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox           |
+|  \\    /   O peration     | Version:  dev                                   |
+|   \\  /    A nd           | Web:      http://www.OpenFOAM.org               |
+|    \\/     M anipulation  |                                                 |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+    version     2.0;
+    format      ascii;
+    class       faceList;
+    location    "constant/polyMesh";
+    object      faces;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+
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+)
+
+
+// ************************************************************************* //
diff --git a/tutorials/gnemdFoam/constrictedChannel/constant/polyMesh/neighbour b/tutorials/gnemdFoam/constrictedChannel/constant/polyMesh/neighbour
new file mode 100644
index 0000000000..7369bab536
--- /dev/null
+++ b/tutorials/gnemdFoam/constrictedChannel/constant/polyMesh/neighbour
@@ -0,0 +1,10735 @@
+/*--------------------------------*- C++ -*----------------------------------*\
+| =========                 |                                                 |
+| \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox           |
+|  \\    /   O peration     | Version:  dev                                   |
+|   \\  /    A nd           | Web:      http://www.OpenFOAM.org               |
+|    \\/     M anipulation  |                                                 |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+    version     2.0;
+    format      ascii;
+    class       labelList;
+    note    "nPoints: 4900 nCells: 3888 nFaces: 12618 nInternalFaces: 10710";
+    location    "constant/polyMesh";
+    object      neighbour;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+
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+
+
+// ************************************************************************* //
diff --git a/tutorials/gnemdFoam/constrictedChannel/constant/polyMesh/owner b/tutorials/gnemdFoam/constrictedChannel/constant/polyMesh/owner
new file mode 100644
index 0000000000..bc4ba2f8e1
--- /dev/null
+++ b/tutorials/gnemdFoam/constrictedChannel/constant/polyMesh/owner
@@ -0,0 +1,12643 @@
+/*--------------------------------*- C++ -*----------------------------------*\
+| =========                 |                                                 |
+| \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox           |
+|  \\    /   O peration     | Version:  dev                                   |
+|   \\  /    A nd           | Web:      http://www.OpenFOAM.org               |
+|    \\/     M anipulation  |                                                 |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+    version     2.0;
+    format      ascii;
+    class       labelList;
+    note    "nPoints: 4900 nCells: 3888 nFaces: 12618 nInternalFaces: 10710";
+    location    "constant/polyMesh";
+    object      owner;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+
+12618
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+
+
+// ************************************************************************* //
diff --git a/tutorials/gnemdFoam/constrictedChannel/constant/polyMesh/points b/tutorials/gnemdFoam/constrictedChannel/constant/polyMesh/points
new file mode 100644
index 0000000000..281433e4a7
--- /dev/null
+++ b/tutorials/gnemdFoam/constrictedChannel/constant/polyMesh/points
@@ -0,0 +1,4924 @@
+/*--------------------------------*- C++ -*----------------------------------*\
+| =========                 |                                                 |
+| \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox           |
+|  \\    /   O peration     | Version:  dev                                   |
+|   \\  /    A nd           | Web:      http://www.OpenFOAM.org               |
+|    \\/     M anipulation  |                                                 |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+    version     2.0;
+    format      ascii;
+    class       vectorField;
+    location    "constant/polyMesh";
+    object      points;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+
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+(7.444444444e-09 6.25e-09 0)
+(7.75e-09 6.25e-09 0)
+(5.305555556e-09 5.583333333e-09 5e-10)
+(5.611111111e-09 5.583333333e-09 5e-10)
+(5.916666667e-09 5.583333333e-09 5e-10)
+(6.222222222e-09 5.583333333e-09 5e-10)
+(6.527777778e-09 5.583333333e-09 5e-10)
+(6.833333333e-09 5.583333333e-09 5e-10)
+(7.138888889e-09 5.583333333e-09 5e-10)
+(7.444444444e-09 5.583333333e-09 5e-10)
+(7.75e-09 5.583333333e-09 5e-10)
+(5.305555556e-09 5.916666667e-09 5e-10)
+(5.611111111e-09 5.916666667e-09 5e-10)
+(5.916666667e-09 5.916666667e-09 5e-10)
+(6.222222222e-09 5.916666667e-09 5e-10)
+(6.527777778e-09 5.916666667e-09 5e-10)
+(6.833333333e-09 5.916666667e-09 5e-10)
+(7.138888889e-09 5.916666667e-09 5e-10)
+(7.444444444e-09 5.916666667e-09 5e-10)
+(7.75e-09 5.916666667e-09 5e-10)
+(5.305555556e-09 6.25e-09 5e-10)
+(5.611111111e-09 6.25e-09 5e-10)
+(5.916666667e-09 6.25e-09 5e-10)
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+(7.138888889e-09 6.25e-09 5e-10)
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+(7.75e-09 6.25e-09 5e-10)
+(5.305555556e-09 5.583333333e-09 1e-09)
+(5.611111111e-09 5.583333333e-09 1e-09)
+(5.916666667e-09 5.583333333e-09 1e-09)
+(6.222222222e-09 5.583333333e-09 1e-09)
+(6.527777778e-09 5.583333333e-09 1e-09)
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+(7.138888889e-09 5.583333333e-09 1e-09)
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+(7.75e-09 5.583333333e-09 1e-09)
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+(5.611111111e-09 5.916666667e-09 1e-09)
+(5.916666667e-09 5.916666667e-09 1e-09)
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+(7.75e-09 5.916666667e-09 1e-09)
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+(5.611111111e-09 6.25e-09 1e-09)
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+(7.138888889e-09 6.25e-09 1e-09)
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+(5.916666667e-09 5.583333333e-09 1.5e-09)
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+(6.527777778e-09 5.583333333e-09 1.5e-09)
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+(7.138888889e-09 5.583333333e-09 1.5e-09)
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+(6.527777778e-09 5.916666667e-09 1.5e-09)
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+(5.611111111e-09 6.25e-09 1.5e-09)
+(5.916666667e-09 6.25e-09 1.5e-09)
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+(6.527777778e-09 6.25e-09 1.5e-09)
+(6.833333333e-09 6.25e-09 1.5e-09)
+(7.138888889e-09 6.25e-09 1.5e-09)
+(7.444444444e-09 6.25e-09 1.5e-09)
+(7.75e-09 6.25e-09 1.5e-09)
+(5.305555556e-09 5.583333333e-09 2e-09)
+(5.611111111e-09 5.583333333e-09 2e-09)
+(5.916666667e-09 5.583333333e-09 2e-09)
+(6.222222222e-09 5.583333333e-09 2e-09)
+(6.527777778e-09 5.583333333e-09 2e-09)
+(6.833333333e-09 5.583333333e-09 2e-09)
+(7.138888889e-09 5.583333333e-09 2e-09)
+(7.444444444e-09 5.583333333e-09 2e-09)
+(7.75e-09 5.583333333e-09 2e-09)
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+(5.611111111e-09 5.916666667e-09 2e-09)
+(5.916666667e-09 5.916666667e-09 2e-09)
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+(7.75e-09 5.916666667e-09 2e-09)
+(5.305555556e-09 6.25e-09 2e-09)
+(5.611111111e-09 6.25e-09 2e-09)
+(5.916666667e-09 6.25e-09 2e-09)
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+(6.527777778e-09 6.25e-09 2e-09)
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+(7.138888889e-09 6.25e-09 2e-09)
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+(5.305555556e-09 5.583333333e-09 2.5e-09)
+(5.611111111e-09 5.583333333e-09 2.5e-09)
+(5.916666667e-09 5.583333333e-09 2.5e-09)
+(6.222222222e-09 5.583333333e-09 2.5e-09)
+(6.527777778e-09 5.583333333e-09 2.5e-09)
+(6.833333333e-09 5.583333333e-09 2.5e-09)
+(7.138888889e-09 5.583333333e-09 2.5e-09)
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+(5.305555556e-09 5.916666667e-09 2.5e-09)
+(5.611111111e-09 5.916666667e-09 2.5e-09)
+(5.916666667e-09 5.916666667e-09 2.5e-09)
+(6.222222222e-09 5.916666667e-09 2.5e-09)
+(6.527777778e-09 5.916666667e-09 2.5e-09)
+(6.833333333e-09 5.916666667e-09 2.5e-09)
+(7.138888889e-09 5.916666667e-09 2.5e-09)
+(7.444444444e-09 5.916666667e-09 2.5e-09)
+(7.75e-09 5.916666667e-09 2.5e-09)
+(5.305555556e-09 6.25e-09 2.5e-09)
+(5.611111111e-09 6.25e-09 2.5e-09)
+(5.916666667e-09 6.25e-09 2.5e-09)
+(6.222222222e-09 6.25e-09 2.5e-09)
+(6.527777778e-09 6.25e-09 2.5e-09)
+(6.833333333e-09 6.25e-09 2.5e-09)
+(7.138888889e-09 6.25e-09 2.5e-09)
+(7.444444444e-09 6.25e-09 2.5e-09)
+(7.75e-09 6.25e-09 2.5e-09)
+(5.305555556e-09 5.583333333e-09 3e-09)
+(5.611111111e-09 5.583333333e-09 3e-09)
+(5.916666667e-09 5.583333333e-09 3e-09)
+(6.222222222e-09 5.583333333e-09 3e-09)
+(6.527777778e-09 5.583333333e-09 3e-09)
+(6.833333333e-09 5.583333333e-09 3e-09)
+(7.138888889e-09 5.583333333e-09 3e-09)
+(7.444444444e-09 5.583333333e-09 3e-09)
+(7.75e-09 5.583333333e-09 3e-09)
+(5.305555556e-09 5.916666667e-09 3e-09)
+(5.611111111e-09 5.916666667e-09 3e-09)
+(5.916666667e-09 5.916666667e-09 3e-09)
+(6.222222222e-09 5.916666667e-09 3e-09)
+(6.527777778e-09 5.916666667e-09 3e-09)
+(6.833333333e-09 5.916666667e-09 3e-09)
+(7.138888889e-09 5.916666667e-09 3e-09)
+(7.444444444e-09 5.916666667e-09 3e-09)
+(7.75e-09 5.916666667e-09 3e-09)
+(5.305555556e-09 6.25e-09 3e-09)
+(5.611111111e-09 6.25e-09 3e-09)
+(5.916666667e-09 6.25e-09 3e-09)
+(6.222222222e-09 6.25e-09 3e-09)
+(6.527777778e-09 6.25e-09 3e-09)
+(6.833333333e-09 6.25e-09 3e-09)
+(7.138888889e-09 6.25e-09 3e-09)
+(7.444444444e-09 6.25e-09 3e-09)
+(7.75e-09 6.25e-09 3e-09)
+)
+
+
+// ************************************************************************* //
diff --git a/tutorials/gnemdFoam/constrictedChannel/system/controlDict b/tutorials/gnemdFoam/constrictedChannel/system/controlDict
new file mode 100644
index 0000000000..e503755148
--- /dev/null
+++ b/tutorials/gnemdFoam/constrictedChannel/system/controlDict
@@ -0,0 +1,55 @@
+/*---------------------------------------------------------------------------*\
+| =========                 |                                                 |
+| \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox           |
+|  \\    /   O peration     | Version:  1.5                                   |
+|   \\  /    A nd           | Web:      http://www.openfoam.org               |
+|    \\/     M anipulation  |                                                 |
+\*---------------------------------------------------------------------------*/
+
+FoamFile
+{
+    version         2.0;
+    format          ascii;
+
+    root            "";
+    case            "";
+    instance        "";
+    local           "";
+
+    class           dictionary;
+    object          controlDict;
+}
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+startFrom       startTime;
+
+startTime       0;
+
+stopAt          endTime;
+
+endTime         8e-11;
+
+deltaT          1e-14;
+
+writeControl    runTime;
+
+writeInterval   2e-12;
+
+purgeWrite      0;
+
+writeFormat     ascii;
+
+writePrecision  12;
+
+writeCompression uncompressed;
+
+timeFormat      general;
+
+timePrecision   6;
+
+runTimeModifiable yes;
+
+adjustTimeStep  no;
+
+// ************************************************************************* //
diff --git a/tutorials/gnemdFoam/constrictedChannel/system/fvSchemes b/tutorials/gnemdFoam/constrictedChannel/system/fvSchemes
new file mode 100644
index 0000000000..8504e0fd45
--- /dev/null
+++ b/tutorials/gnemdFoam/constrictedChannel/system/fvSchemes
@@ -0,0 +1,67 @@
+/*---------------------------------------------------------------------------*\
+| =========                 |                                                 |
+| \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox           |
+|  \\    /   O peration     | Version:  1.3                                   |
+|   \\  /    A nd           | Web:      http://www.openfoam.org               |
+|    \\/     M anipulation  |                                                 |
+\*---------------------------------------------------------------------------*/
+
+FoamFile
+{
+    version         2.0;
+    format          ascii;
+
+    root            "";
+    case            "";
+    instance        "";
+    local           "";
+
+    class           dictionary;
+    object          fvSchemes;
+}
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+ddtSchemes
+{
+    default         Euler;
+}
+
+gradSchemes
+{
+    default         Gauss linear;
+    grad(p)         Gauss linear;
+}
+
+divSchemes
+{
+    default         none;
+    div(phi,U)      Gauss linear;
+}
+
+laplacianSchemes
+{
+    default         none;
+    laplacian(nu,U) Gauss linear corrected;
+    laplacian(1|A(U),p) Gauss linear corrected;
+}
+
+interpolationSchemes
+{
+    default         linear;
+    interpolate(HbyA) linear;
+}
+
+snGradSchemes
+{
+    default         corrected;
+}
+
+fluxRequired
+{
+    default         no;
+    p;
+}
+
+
+// ************************************************************************* //
diff --git a/tutorials/gnemdFoam/constrictedChannel/system/fvSolution b/tutorials/gnemdFoam/constrictedChannel/system/fvSolution
new file mode 100644
index 0000000000..c85c7b791b
--- /dev/null
+++ b/tutorials/gnemdFoam/constrictedChannel/system/fvSolution
@@ -0,0 +1,40 @@
+/*---------------------------------------------------------------------------*\
+| =========                 |                                                 |
+| \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox           |
+|  \\    /   O peration     | Version:  1.3                                   |
+|   \\  /    A nd           | Web:      http://www.openfoam.org               |
+|    \\/     M anipulation  |                                                 |
+\*---------------------------------------------------------------------------*/
+
+FoamFile
+{
+    version         2.0;
+    format          ascii;
+
+    root            "";
+    case            "";
+    instance        "";
+    local           "";
+
+    class           dictionary;
+    object          fvSolution;
+}
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+solvers
+{
+    p               ICCG 1e-06 0;
+    U               BICCG 1e-05 0;
+}
+
+PISO
+{
+    nCorrectors     2;
+    nNonOrthogonalCorrectors 0;
+    pRefCell        0;
+    pRefValue       0;
+}
+
+
+// ************************************************************************* //
diff --git a/tutorials/gnemdFoam/constrictedChannel/system/mdSolution b/tutorials/gnemdFoam/constrictedChannel/system/mdSolution
new file mode 100644
index 0000000000..c72bb260fa
--- /dev/null
+++ b/tutorials/gnemdFoam/constrictedChannel/system/mdSolution
@@ -0,0 +1,29 @@
+/*---------------------------------------------------------------------------*\
+| =========                 |                                                 |
+| \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox           |
+|  \\    /   O peration     | Version:  1.3                                   |
+|   \\  /    A nd           | Web:      http://www.openfoam.org               |
+|    \\/     M anipulation  |                                                 |
+\*---------------------------------------------------------------------------*/
+
+FoamFile
+{
+    version         2.0;
+    format          ascii;
+
+    root            "";
+    case            "";
+    instance        "";
+    local           "";
+
+    class           dictionary;
+    object          mdSolution;
+}
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+integrationMethod               verletLeapfrog;
+
+potentialEnergyLimit            5.256e-20;
+
+// ************************************************************************* //
\ No newline at end of file
diff --git a/tutorials/gnemdFoam/constrictedChannel/system/molConfigDict b/tutorials/gnemdFoam/constrictedChannel/system/molConfigDict
new file mode 100644
index 0000000000..440ce73b29
--- /dev/null
+++ b/tutorials/gnemdFoam/constrictedChannel/system/molConfigDict
@@ -0,0 +1,74 @@
+/*---------------------------------------------------------------------------*\
+| =========                 |                                                 |
+| \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox           |
+|  \\    /   O peration     | Version:  1.3                                   |
+|   \\  /    A nd           | Web:      http://www.openfoam.org               |
+|    \\/     M anipulation  |                                                 |
+\*---------------------------------------------------------------------------*/
+
+FoamFile
+{
+    version         2.0;
+    format          ascii;
+
+    root            "";
+    case            "";
+    instance        "";
+    local           "";
+
+    class           dictionary;
+    object          molConfigDict;
+}
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+//  Subdictionaries specifying the contents of zones
+
+// Euler angles, expressed in degrees as phi, theta, psi, see http://mathworld.wolfram.com/EulerAngles.html
+
+bottomWall
+{
+    massDensity             1220.0;
+    temperature             300.0;
+    velocityDistribution    maxwellian;
+    bulkVelocity            (0.0 0.0 0.0);
+    id                      Ar;
+    mass                    6.63352033e-26;
+    latticeStructure        FCC;
+    anchor                  (1.05e-9 3.18e-9 2.87e-9);
+    anchorSpecifies         molecule;
+    tethered                yes;
+    orientationAngles       (30 0 0);
+}
+
+liquid
+{
+    massDensity             1100.0;
+    temperature             250.0;
+    velocityDistribution    maxwellian;
+    bulkVelocity            (245.0 0.0 0.0);
+    id                      Ne;
+    mass                    3.350996347e-26;
+    latticeStructure        SC;
+    anchor                  (1.05e-9 3.18e-9 2.87e-9);
+    anchorSpecifies         molecule;
+    tethered                no;
+    orientationAngles       (45 0 0);
+}
+
+topWall
+{
+    massDensity             1220.0;
+    temperature             200.0;
+    velocityDistribution    maxwellian;
+    bulkVelocity            (0.0 0.0 0.0);
+    id                      Ar;
+    mass                    6.63352033e-26;
+    latticeStructure        BCC;
+    anchor                  (1.05e-9 3.18e-9 2.87e-9);
+    anchorSpecifies         corner;
+    tethered                yes;
+    orientationAngles       (0 0 0);
+}
+
+// ************************************************************************* //
diff --git a/tutorials/gnemdFoam/constrictedChannel/system/potentialDict b/tutorials/gnemdFoam/constrictedChannel/system/potentialDict
new file mode 100644
index 0000000000..f50e952c9c
--- /dev/null
+++ b/tutorials/gnemdFoam/constrictedChannel/system/potentialDict
@@ -0,0 +1,148 @@
+/*---------------------------------------------------------------------------*\
+| =========                 |                                                 |
+| \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox           |
+|  \\    /   O peration     | Version:  1.3                                   |
+|   \\  /    A nd           | Web:      http://www.openfoam.org               |
+|    \\/     M anipulation  |                                                 |
+\*---------------------------------------------------------------------------*/
+
+FoamFile
+{
+    version         2.0;
+    format          ascii;
+
+    root            "";
+    case            "";
+    instance        "";
+    local           "";
+
+    class           dictionary;
+    object          potentials;
+}
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+// Subdictionaries specifying types of intermolecular potential.
+// Sub-sub dictionaries specify the potentials themselves.
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+// Removal order
+
+// This is the order in which to remove overlapping pairs if more than one
+// type of molecule is present.  The most valuable molecule type is at the
+// right hand end, the molecule that will be removed 1st is 1st on the list.
+// Not all types need to be present, a molecule that is not present is
+// automatically less valuable than any on the list.  For molecules of the
+// same type there is no control over which is removed.
+
+removalOrder        1 (Ar);
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+// Pair potentials
+
+// If there are r different type of molecules, and a pair force is required
+// between all combinations, then there are C = r(r+1)/2 combinations,
+// i.e. for r = {1,2,3,4}, C = {1,3,6,10} (sum of triangular numbers).
+
+// Pair potentials are specified by the combinaition of their ids,
+// for MOLA and MOLB, "MOLA-MOLB" OR "MOLB-MOLA" is acceptable
+// (strictly OR, both or neither will thrown an error)
+
+pair
+{
+    Ar-Ar
+    {
+        pairPotential   maitlandSmith;
+        rCut            1.0e-9;
+        rMin            0.15e-9;
+        dr              5e-14;
+        maitlandSmithCoeffs
+        {
+            m           13.0;
+            gamma       7.5;
+            rm          0.3756e-9;
+            epsilon     1.990108438e-21;
+        }
+        energyScalingFunction   doubleSigmoid;
+        doubleSigmoidCoeffs
+        {
+            shift1      0.9e-9;
+            scale1      0.3e11;
+            shift2      0.97e-9;
+            scale2      1.2e11;
+        }
+        writeTables     yes;
+    }
+
+    Ar-Ne
+    {
+        pairPotential   maitlandSmith;
+        rCut            0.9e-9;
+        rMin            0.1e-9;
+        dr              5e-14;
+        maitlandSmithCoeffs
+        {
+            m               13.0;
+            gamma           4;
+            rm              0.348e-9;
+            epsilon         8.765026657e-22;
+        }
+        energyScalingFunction   shiftedForce;
+        writeTables     yes;
+    }
+
+    Ne-Ne
+    {
+        pairPotential   maitlandSmith;
+        rCut            0.8e-9;
+        rMin            0.1e-9;
+        dr              5e-14;
+        maitlandSmithCoeffs
+        {
+            m               13.0;
+            gamma           5;
+            rm              0.30739e-9;
+            epsilon         5.813260729e-22;
+        }
+        energyScalingFunction   shiftedForce;
+        writeTables     yes;
+    }
+}
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+// Tethering Potentials
+
+tether
+{
+    Ar
+    {
+        tetherPotential restrainedHarmonicSpring;
+        restrainedHarmonicSpringCoeffs
+        {
+            springConstant  0.0277;
+            rR              1.2e-9;
+        }
+    }
+
+    Ne
+    {
+        tetherPotential harmonicSpring;
+        harmonicSpringCoeffs
+        {
+            springConstant  0.0277;
+        }
+    }
+}
+
+// ************************************************************************* //
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+// External Forces
+
+// Bulk external forces (namely gravity) will be specified as forces rather
+// than potentials to allow their direction to be controlled.
+
+external
+{
+    gravity             (0 0 0);
+}
diff --git a/tutorials/gnemdFoam/nanoNozzle/constant/polyMesh/blockMeshDict b/tutorials/gnemdFoam/nanoNozzle/constant/polyMesh/blockMeshDict
new file mode 100644
index 0000000000..22808bd6ad
--- /dev/null
+++ b/tutorials/gnemdFoam/nanoNozzle/constant/polyMesh/blockMeshDict
@@ -0,0 +1,155 @@
+		/*---------------------------------------------------------------------------*\
+| =========                 |                                                 |
+| \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox           |
+|  \\    /   O peration     | Version:  1.3                                   |
+|   \\  /    A nd           | Web:      http://www.openfoam.org               |
+|    \\/     M anipulation  |                                                 |
+\*---------------------------------------------------------------------------*/
+
+FoamFile
+{
+    version         2.0;
+    format          ascii;
+
+    root            "";
+    case            "";
+    instance        "";
+    local           "";
+
+    class           dictionary;
+    object          blockMeshDict;
+}
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+convertToMeters 3e-9;
+
+vertices        
+(
+	(0 0 0)
+	(3.5 0 0)
+	(3.5 3 0)
+	(0 3 0)
+	(0 0 3)
+	(3.5 0 3)
+	(3.5 3 3)
+	(0 3 3)
+	(7.5 1 0.5)
+	(7.5 2 0.5)
+	(7.5 1 2.5)
+	(7.5 2 2.5)
+	(10 1 0.5)
+	(10 2 0.5)
+	(10 1 2.5)
+	(10 2 2.5)
+	(11.5 0.5 -0.5)
+	(11.5 2.5 -0.5)
+	(11.5 0.5 3.5)
+	(11.5 2.5 3.5)
+	(16 0.5 -0.5)
+	(16 2.5 -0.5)
+	(16 0.5 3.5)
+	(16 2.5 3.5)
+);
+
+blocks          
+(
+	hex (0 1 2 3 4 5 6 7) sectionA (16 15 15) simpleGrading (1 1 1)
+    hex (1 8 9 2 5 10 11 6) sectionA (16 15 15) simpleGrading (0.4 1 1)
+	hex (8 12 13 9 10 14 15 11) sectionB (16 15 15) simpleGrading (1 1 1)
+	hex (12 16 17 13 14 18 19 15) sectionC (11 15 15) simpleGrading (2.8 1 1)
+	hex (16 20 21 17 18 22 23 19) sectionC (16 15 15) simpleGrading (1 1 1)
+);
+
+edges           
+(
+		simpleSpline 12 16
+		(
+			(10.375 0.875 0.4)
+			(10.75 0.75 0)
+			(11.125 0.625 -0.4)
+		)
+		
+		simpleSpline 14 18
+		(
+			(10.375 0.875 2.6)
+			(10.75 0.75 3)
+			(11.125 0.625 3.4)
+		)
+		
+		simpleSpline 15 19
+		(
+			(10.375 2.125 2.6)
+			(10.75 2.25 3)
+			(11.125 2.375 3.4)
+		)
+		
+		simpleSpline 13 17
+		(
+			(10.375 2.125 0.4)
+			(10.75 2.25 0)
+			(11.125 2.375 -0.4)
+		)
+);
+
+patches         
+(
+	patch
+	sectionAEnd
+	(
+		(0 4 7 3)
+	)
+
+	patch
+	sectionCEnd
+	(
+		(20 21 23 22)
+	)
+		
+	wall
+	front
+	(
+		(0 1 5 4)
+		(1 8 10 5)
+		(8 12 14 10)
+		(12 16 18 14)
+		(16 20 22 18)
+	)
+		
+	wall
+	back
+	(
+		(2 3 7 6)
+		(2 6 11 9)
+		(9 11 15 13)
+		(13 15 19 17)
+		(17 19 23 21)
+	)
+		
+	wall
+	top
+	(
+		(4 5 6 7)
+		(5 10 11 6)
+		(10 14 15 11)
+		(14 18 19 15)
+		(18 22 23 19)
+	)
+		
+	wall
+	bottom
+	(
+		(0 3 2 1)
+		(1 2 9 8)
+		(8 9 13 12)
+		(12 13 17 16)
+		(16 17 21 20)
+	)
+);
+
+mergePatchPairs 
+(
+);
+
+
+// ************************************************************************* //
diff --git a/tutorials/gnemdFoam/nanoNozzle/system/controlDict b/tutorials/gnemdFoam/nanoNozzle/system/controlDict
new file mode 100644
index 0000000000..9149e8779f
--- /dev/null
+++ b/tutorials/gnemdFoam/nanoNozzle/system/controlDict
@@ -0,0 +1,55 @@
+/*---------------------------------------------------------------------------*\
+| =========                 |                                                 |
+| \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox           |
+|  \\    /   O peration     | Version:  1.5                                 |
+|   \\  /    A nd           | Web:      http://www.openfoam.org               |
+|    \\/     M anipulation  |                                                 |
+\*---------------------------------------------------------------------------*/
+
+FoamFile
+{
+    version         2.0;
+    format          ascii;
+
+    root            "";
+    case            "";
+    instance        "";
+    local           "";
+
+    class           dictionary;
+    object          controlDict;
+}
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+startFrom       startTime;
+
+startTime       0;
+
+stopAt          endTime;
+
+endTime         3e-11;
+
+deltaT          1e-14;
+
+writeControl    runTime;
+
+writeInterval   1e-12;
+
+purgeWrite      0;
+
+writeFormat     ascii;
+
+writePrecision  12;
+
+writeCompression uncompressed;
+
+timeFormat      general;
+
+timePrecision   6;
+
+runTimeModifiable yes;
+
+adjustTimeStep  no;
+
+// ************************************************************************* //
diff --git a/tutorials/mdEquilibrationFoam/periodicCube/system/decomposeParDict b/tutorials/gnemdFoam/nanoNozzle/system/decomposeParDict
similarity index 91%
rename from tutorials/mdEquilibrationFoam/periodicCube/system/decomposeParDict
rename to tutorials/gnemdFoam/nanoNozzle/system/decomposeParDict
index 1678f7f1b2..d99d81ea7e 100644
--- a/tutorials/mdEquilibrationFoam/periodicCube/system/decomposeParDict
+++ b/tutorials/gnemdFoam/nanoNozzle/system/decomposeParDict
@@ -23,13 +23,13 @@ FoamFile
 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
 
-numberOfSubdomains 2;
+numberOfSubdomains 4;
 
-method              simple;
+method              metis;
 
 simpleCoeffs
 {
-    n               (2 1 1);
+    n               (4 1 1);
     delta           0.001;
 }
 
@@ -47,11 +47,7 @@ metisCoeffs
         1
         1
         1
-        4
         1
-        5
-        1
-        2
     );
 }
 
diff --git a/tutorials/gnemdFoam/nanoNozzle/system/fvSchemes b/tutorials/gnemdFoam/nanoNozzle/system/fvSchemes
new file mode 100644
index 0000000000..8504e0fd45
--- /dev/null
+++ b/tutorials/gnemdFoam/nanoNozzle/system/fvSchemes
@@ -0,0 +1,67 @@
+/*---------------------------------------------------------------------------*\
+| =========                 |                                                 |
+| \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox           |
+|  \\    /   O peration     | Version:  1.3                                   |
+|   \\  /    A nd           | Web:      http://www.openfoam.org               |
+|    \\/     M anipulation  |                                                 |
+\*---------------------------------------------------------------------------*/
+
+FoamFile
+{
+    version         2.0;
+    format          ascii;
+
+    root            "";
+    case            "";
+    instance        "";
+    local           "";
+
+    class           dictionary;
+    object          fvSchemes;
+}
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+ddtSchemes
+{
+    default         Euler;
+}
+
+gradSchemes
+{
+    default         Gauss linear;
+    grad(p)         Gauss linear;
+}
+
+divSchemes
+{
+    default         none;
+    div(phi,U)      Gauss linear;
+}
+
+laplacianSchemes
+{
+    default         none;
+    laplacian(nu,U) Gauss linear corrected;
+    laplacian(1|A(U),p) Gauss linear corrected;
+}
+
+interpolationSchemes
+{
+    default         linear;
+    interpolate(HbyA) linear;
+}
+
+snGradSchemes
+{
+    default         corrected;
+}
+
+fluxRequired
+{
+    default         no;
+    p;
+}
+
+
+// ************************************************************************* //
diff --git a/tutorials/gnemdFoam/nanoNozzle/system/fvSolution b/tutorials/gnemdFoam/nanoNozzle/system/fvSolution
new file mode 100644
index 0000000000..c85c7b791b
--- /dev/null
+++ b/tutorials/gnemdFoam/nanoNozzle/system/fvSolution
@@ -0,0 +1,40 @@
+/*---------------------------------------------------------------------------*\
+| =========                 |                                                 |
+| \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox           |
+|  \\    /   O peration     | Version:  1.3                                   |
+|   \\  /    A nd           | Web:      http://www.openfoam.org               |
+|    \\/     M anipulation  |                                                 |
+\*---------------------------------------------------------------------------*/
+
+FoamFile
+{
+    version         2.0;
+    format          ascii;
+
+    root            "";
+    case            "";
+    instance        "";
+    local           "";
+
+    class           dictionary;
+    object          fvSolution;
+}
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+solvers
+{
+    p               ICCG 1e-06 0;
+    U               BICCG 1e-05 0;
+}
+
+PISO
+{
+    nCorrectors     2;
+    nNonOrthogonalCorrectors 0;
+    pRefCell        0;
+    pRefValue       0;
+}
+
+
+// ************************************************************************* //
diff --git a/tutorials/gnemdFoam/nanoNozzle/system/mdSolution b/tutorials/gnemdFoam/nanoNozzle/system/mdSolution
new file mode 100644
index 0000000000..c72bb260fa
--- /dev/null
+++ b/tutorials/gnemdFoam/nanoNozzle/system/mdSolution
@@ -0,0 +1,29 @@
+/*---------------------------------------------------------------------------*\
+| =========                 |                                                 |
+| \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox           |
+|  \\    /   O peration     | Version:  1.3                                   |
+|   \\  /    A nd           | Web:      http://www.openfoam.org               |
+|    \\/     M anipulation  |                                                 |
+\*---------------------------------------------------------------------------*/
+
+FoamFile
+{
+    version         2.0;
+    format          ascii;
+
+    root            "";
+    case            "";
+    instance        "";
+    local           "";
+
+    class           dictionary;
+    object          mdSolution;
+}
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+integrationMethod               verletLeapfrog;
+
+potentialEnergyLimit            5.256e-20;
+
+// ************************************************************************* //
\ No newline at end of file
diff --git a/tutorials/gnemdFoam/nanoNozzle/system/molConfigDict b/tutorials/gnemdFoam/nanoNozzle/system/molConfigDict
new file mode 100644
index 0000000000..5649765dda
--- /dev/null
+++ b/tutorials/gnemdFoam/nanoNozzle/system/molConfigDict
@@ -0,0 +1,75 @@
+/*---------------------------------------------------------------------------*\
+| =========                 |                                                 |
+| \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox           |
+|  \\    /   O peration     | Version:  1.3                                   |
+|   \\  /    A nd           | Web:      http://www.openfoam.org               |
+|    \\/     M anipulation  |                                                 |
+\*---------------------------------------------------------------------------*/
+
+FoamFile
+{
+    version         2.0;
+    format          ascii;
+
+    root            "";
+    case            "";
+    instance        "";
+    local           "";
+
+    class           dictionary;
+    object          molConfigDict;
+}
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+//  Subdictionaries specifying the contents of zones - for the moment have a single species in each block - move to mixed 
+
+// Euler angles, expressed in degrees as phi, theta, psi, see http://mathworld.wolfram.com/EulerAngles.html
+
+sectionA
+{
+    massDensity             1220.0;
+    temperature             300.0;
+    velocityDistribution    maxwellian;
+    bulkVelocity            (-250.0 0.0 0.0);
+    id                      Ar;
+    mass                    6.63352033e-26;
+    latticeStructure        SC;
+    anchor                  (0.0 0.0 0.0);
+    anchorSpecifies         molecule;
+    tethered                no;
+    orientationAngles       (0 0 0);
+}
+
+sectionB
+{
+    massDensity             1220.0;
+    temperature             300.0;
+    velocityDistribution    maxwellian;
+    bulkVelocity            (-250.0 0.0 0.0);
+    id                      Ne;
+    mass                    3.350917e-26;
+    latticeStructure        SC;
+    anchor                  (0.0 0.0 0.0);
+    anchorSpecifies         molecule;
+    tethered                no;
+    orientationAngles       (0 0 0);
+}
+
+sectionC
+{
+    massDensity             1220.0;
+    temperature             300.0;
+    velocityDistribution    maxwellian;
+    bulkVelocity            (-250.0 0.0 0.0);
+    id                      Ar;
+    mass                    6.63352033e-26;
+    latticeStructure        SC;
+    anchor                  (0.0 0.0 0.0);
+    anchorSpecifies         molecule;
+    tethered                no;
+    orientationAngles       (0 0 0);
+}
+
+// ************************************************************************* //
+    
\ No newline at end of file
diff --git a/tutorials/gnemdFoam/nanoNozzle/system/potentialDict b/tutorials/gnemdFoam/nanoNozzle/system/potentialDict
new file mode 100644
index 0000000000..3de4c59858
--- /dev/null
+++ b/tutorials/gnemdFoam/nanoNozzle/system/potentialDict
@@ -0,0 +1,113 @@
+/*---------------------------------------------------------------------------*\
+| =========                 |                                                 |
+| \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox           |
+|  \\    /   O peration     | Version:  1.3                                   |
+|   \\  /    A nd           | Web:      http://www.openfoam.org               |
+|    \\/     M anipulation  |                                                 |
+\*---------------------------------------------------------------------------*/
+
+FoamFile
+{
+    version         2.0;
+    format          ascii;
+
+    root            "";
+    case            "";
+    instance        "";
+    local           "";
+
+    class           dictionary;
+    object          potentials;
+}
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+// Subdictionaries specifying types of intermolecular potential.
+// Sub-sub dictionaries specify the potentials themselves.
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+// Removal order
+
+// This is the order in which to remove overlapping pairs if more than one
+// type of molecule is present.  The most valuable molecule type is at the
+// right hand end, the molecule that will be removed 1st is 1st on the list.
+// Not all types need to be present, a molecule that is not present is
+// automatically less valuable than any on the list.  For molecules of the
+// same type there is no control over which is removed.
+
+removalOrder        1 (Ar);
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+// Pair potentials
+
+// If there are r different type of molecules, and a pair force is required
+// between all combinations, then there are C = r(r+1)/2 combinations,
+// i.e. for r = {1,2,3,4}, C = {1,3,6,10} (sum of triangular numbers).
+
+// Pair potentials are specified by the combinaition of their ids,
+// for MOLA and MOLB, "MOLA-MOLB" OR "MOLB-MOLA" is acceptable
+// (strictly OR, both or neither will thrown an error)
+
+pair
+{
+    Ar-Ar
+    {
+        pairPotential   maitlandSmith;
+        rCut            1.0e-9;
+        rMin            0.15e-9;
+        dr              5e-14;
+        maitlandSmithCoeffs
+        {
+            m           13.0;
+            gamma       7.5;
+            rm          0.3756e-9;
+            epsilon     1.990108438e-21;
+        }
+        energyScalingFunction   doubleSigmoid;
+        doubleSigmoidCoeffs
+        {
+            shift1      0.9e-9;
+            scale1      0.3e11;
+            shift2      0.97e-9;
+            scale2      1.2e11;
+        }
+        writeTables     yes;
+    }
+
+    Ar-Ne
+    {
+        pairPotential   maitlandSmith;
+        rCut            0.9e-9;
+        rMin            0.1e-9;
+        dr              5e-14;
+        maitlandSmithCoeffs
+        {
+            m               13.0;
+            gamma           4;
+            rm              0.348e-9;
+            epsilon         8.765026657e-22;
+        }
+        energyScalingFunction   shiftedForce;
+        writeTables     yes;
+    }
+
+    Ne-Ne
+    {
+        pairPotential   maitlandSmith;
+        rCut            0.8e-9;
+        rMin            0.1e-9;
+        dr              5e-14;
+        maitlandSmithCoeffs
+        {
+            m               13.0;
+            gamma           5;
+            rm              0.30739e-9;
+            epsilon         5.813260729e-22;
+        }
+        energyScalingFunction   shiftedForce;
+        writeTables     yes;
+    }
+}
+
+
+// ************************************************************************* //
diff --git a/tutorials/mdEquilibrationFoam/periodicCube/Allrun b/tutorials/mdEquilibrationFoam/periodicCube/Allrun
deleted file mode 100755
index 1960716ea2..0000000000
--- a/tutorials/mdEquilibrationFoam/periodicCube/Allrun
+++ /dev/null
@@ -1,10 +0,0 @@
-#!/bin/sh
-# Source tutorial run functions
-. $WM_PROJECT_DIR/bin/tools/RunFunctions
-
-# Get application name from directory
-application="mdEquilibrationFoam"
-
-runApplication blockMesh
-runApplication molConfig
-runApplication $application
diff --git a/tutorials/mdEquilibrationFoam/periodicCube/system/controlDict b/tutorials/mdEquilibrationFoam/periodicCube/system/controlDict
index c3205b3ad1..d46f5cef1e 100644
--- a/tutorials/mdEquilibrationFoam/periodicCube/system/controlDict
+++ b/tutorials/mdEquilibrationFoam/periodicCube/system/controlDict
@@ -34,7 +34,7 @@ deltaT          1e-14;
 
 writeControl    runTime;
 
-writeInterval   5e-11;
+writeInterval   5e-12;
 
 purgeWrite      0;
 
diff --git a/tutorials/mdEquilibrationFoam/periodicCube/system/mdSolution b/tutorials/mdEquilibrationFoam/periodicCube/system/mdSolution
index 681963175d..c72bb260fa 100644
--- a/tutorials/mdEquilibrationFoam/periodicCube/system/mdSolution
+++ b/tutorials/mdEquilibrationFoam/periodicCube/system/mdSolution
@@ -26,6 +26,4 @@ integrationMethod               verletLeapfrog;
 
 potentialEnergyLimit            5.256e-20;
 
-guardRadius                     0;
-
 // ************************************************************************* //
\ No newline at end of file
diff --git a/tutorials/mdEquilibrationFoam/periodicCube/system/potentialDict b/tutorials/mdEquilibrationFoam/periodicCube/system/potentialDict
index 78fa1c7746..f4d27d298b 100644
--- a/tutorials/mdEquilibrationFoam/periodicCube/system/potentialDict
+++ b/tutorials/mdEquilibrationFoam/periodicCube/system/potentialDict
@@ -22,7 +22,7 @@ FoamFile
 
 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
-// Subdictionaries specifying types of intermoleular potential.
+// Subdictionaries specifying types of intermolecular potential.
 // Sub-sub dictionaries specify the potentials themselves.
 
 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
@@ -52,14 +52,24 @@ pair
 {
     Ar-Ar
     {
-        potentialType   maitlandSmithTabulated;
-        m               13.0;
-        gamma           7.5;
-        rm              0.3756e-9;
-        epsilon         1.990108438e-21;
-        rCut            1.0e-9;
+        pairPotential   azizChen;
+        rCut            1.2e-9;
         rMin            0.15e-9;
         dr              2e-14;
+        azizChenCoeffs
+        {
+            epsilon     1.97742255e-21;
+            rm          3.759e-10;
+            A           0.9502720e7;
+            alpha       16.345655;
+            C6          1.0914254;
+            C8          0.6002595;
+            C10         0.3700113;
+            D           1.4;
+            gamma       2.0;
+        }
+        energyScalingFunction   noScaling;
+        writeTables     yes;
     }
 }
 
@@ -70,8 +80,12 @@ tether
 {
     Ar
     {
-        potentialType   harmonicSpring;
-        springConstant  0.0277;
+        tetherPotential restrainedHarmonicSpring;
+        restrainedHarmonicSpringCoeffs
+        {
+            springConstant  0.0277;
+            rR              1.2e-9;
+        }
     }
 }
 
diff --git a/tutorials/rhoSonicFoam/shockTube/system/sampleDict b/tutorials/rhoSonicFoam/shockTube/system/sampleDict
index 7c59b17bef..95b819ee74 100644
--- a/tutorials/rhoSonicFoam/shockTube/system/sampleDict
+++ b/tutorials/rhoSonicFoam/shockTube/system/sampleDict
@@ -25,13 +25,14 @@ FoamFile
 
 interpolationScheme cellPoint;
 
-writeFormat     raw;
+setFormat     raw;
 
-sampleSets      
+sets      
 (
-    uniform
+    data
     {
-        name            data;
+        type            uniform;
+
         axis            x;
         start           (-4.995 0 0);
         end             (4.995  0 0);
@@ -39,6 +40,9 @@ sampleSets
     }
 );
 
+surfaces
+();
+
 fields          
 (
     T
diff --git a/tutorials/solidDisplacementFoam/plateHole/system/sampleDict b/tutorials/solidDisplacementFoam/plateHole/system/sampleDict
index adf21bd6cf..056f0894ff 100644
--- a/tutorials/solidDisplacementFoam/plateHole/system/sampleDict
+++ b/tutorials/solidDisplacementFoam/plateHole/system/sampleDict
@@ -25,13 +25,13 @@ FoamFile
 
 interpolationScheme cellPoint;
 
-writeFormat     raw;
+setFormat     raw;
 
-sampleSets      
+sets
 (
-    uniform 
+    leftPatch
     {
-        name            leftPatch;
+        type            uniform;
         axis            y;
         start           (0 0.5 0.25);
         end             (0 2 0.25);
@@ -39,10 +39,12 @@ sampleSets
     }
 );
 
-fields          
+surfaces
+();
+
+fields
 (
     sigmaxx
 );
 
-
 // ************************************************************************* //