diff --git a/applications/solvers/discreteMethods/molecularDynamics/mdFoam/Make/options b/applications/solvers/discreteMethods/molecularDynamics/mdFoam/Make/options
index 14f2ed2f93..89431d0625 100644
--- a/applications/solvers/discreteMethods/molecularDynamics/mdFoam/Make/options
+++ b/applications/solvers/discreteMethods/molecularDynamics/mdFoam/Make/options
@@ -1,7 +1,6 @@
 EXE_INC = \
     -I$(LIB_SRC)/lagrangian/molecularDynamics/molecule/lnInclude \
     -I$(LIB_SRC)/lagrangian/molecularDynamics/potential/lnInclude \
-    -I$(LIB_SRC)/lagrangian/molecularDynamics/molecularMeasurements/lnInclude \
     -I$(LIB_SRC)/finiteVolume/lnInclude \
     -I$(LIB_SRC)/lagrangian/basic/lnInclude \
     -I$(LIB_SRC)/meshTools/lnInclude
@@ -11,6 +10,4 @@ EXE_LIBS = \
     -lfiniteVolume \
     -llagrangian \
     -lmolecule \
-    -lpotential \
-    -lmolecularMeasurements
-
+    -lpotential
diff --git a/applications/solvers/discreteMethods/molecularDynamics/mdFoam/createFields.H b/applications/solvers/discreteMethods/molecularDynamics/mdFoam/createFields.H
new file mode 100644
index 0000000000..dc88bf6e88
--- /dev/null
+++ b/applications/solvers/discreteMethods/molecularDynamics/mdFoam/createFields.H
@@ -0,0 +1,17 @@
+    Info<< "\nReading field U\n" << endl;
+    volVectorField U
+    (
+        IOobject
+        (
+            "U",
+            runTime.timeName(),
+            mesh,
+            IOobject::MUST_READ,
+            IOobject::AUTO_WRITE
+        ),
+        mesh
+    );
+
+    potential pot(mesh);
+
+    polyatomicCloud molecules(mesh, pot);
diff --git a/applications/solvers/discreteMethods/molecularDynamics/mdFoam/mdFoam.C b/applications/solvers/discreteMethods/molecularDynamics/mdFoam/mdFoam.C
index 779172803d..660c12a5b8 100644
--- a/applications/solvers/discreteMethods/molecularDynamics/mdFoam/mdFoam.C
+++ b/applications/solvers/discreteMethods/molecularDynamics/mdFoam/mdFoam.C
@@ -30,59 +30,25 @@ Description
 \*---------------------------------------------------------------------------*/
 
 #include "fvCFD.H"
-#include "md.H"
+#include "polyatomicCloud.H"
 
 int main(int argc, char *argv[])
 {
     #include "setRootCase.H"
     #include "createTime.H"
     #include "createMesh.H"
+    #include "createFields.H"
 
     // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
-    Info<< "\nReading field U\n" << endl;
-    volVectorField U
-    (
-        IOobject
-        (
-            "U",
-            runTime.timeName(),
-            mesh,
-            IOobject::MUST_READ,
-            IOobject::AUTO_WRITE
-        ),
-        mesh
-    );
-
-    potential pot(mesh);
-
-    moleculeCloud molecules(mesh, pot);
-
-    #include "temperatureAndPressureVariables.H"
-
-    label nAveragingSteps = 0;
-
     Info<< "\nStarting time loop\n" << endl;
 
     while (runTime.loop())
     {
-        nAveragingSteps++;
-
         Info<< "Time = " << runTime.timeName() << endl;
 
         molecules.evolve();
 
-        #include "meanMomentumEnergyAndNMols.H"
-
-        #include "temperatureAndPressure.H"
-
-        runTime.write();
-
-        if (runTime.outputTime())
-        {
-            nAveragingSteps = 0;
-        }
-
         Info<< "ExecutionTime = " << runTime.elapsedCpuTime() << " s"
             << "  ClockTime = " << runTime.elapsedClockTime() << " s"
             << nl << endl;
diff --git a/src/lagrangian/molecularDynamics/Allwmake b/src/lagrangian/molecularDynamics/Allwmake
index 7c17819ad5..118ba05f1a 100755
--- a/src/lagrangian/molecularDynamics/Allwmake
+++ b/src/lagrangian/molecularDynamics/Allwmake
@@ -4,7 +4,6 @@ makeType=${1:-libso}
 set -x
 
 wmake $makeType potential
-wmake $makeType molecularMeasurements
 wmake $makeType molecule
 
 # ----------------------------------------------------------------- end-of-file
diff --git a/src/lagrangian/molecularDynamics/molecule/Make/files b/src/lagrangian/molecularDynamics/molecule/Make/files
index 9086ba7ffa..7f8abcb0f3 100644
--- a/src/lagrangian/molecularDynamics/molecule/Make/files
+++ b/src/lagrangian/molecularDynamics/molecule/Make/files
@@ -1,9 +1,8 @@
-reducedUnits/reducedUnits.C
-reducedUnits/reducedUnitsIO.C
+constPropSite/constPropSite.C
 
-molecule/molecule.C
-molecule/moleculeIO.C
+polyatomic/polyatomic/polyatomic.C
+polyatomic/polyatomic/polyatomicIO.C
 
-moleculeCloud/moleculeCloud.C
+polyatomic/polyatomicCloud/polyatomicCloud.C
 
 LIB = $(FOAM_LIBBIN)/libmolecule
diff --git a/src/lagrangian/molecularDynamics/molecule/constPropSite/constPropSite.C b/src/lagrangian/molecularDynamics/molecule/constPropSite/constPropSite.C
new file mode 100644
index 0000000000..431f37aeb4
--- /dev/null
+++ b/src/lagrangian/molecularDynamics/molecule/constPropSite/constPropSite.C
@@ -0,0 +1,76 @@
+/*---------------------------------------------------------------------------*\
+  =========                 |
+  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
+   \\    /   O peration     |
+    \\  /    A nd           | Copyright (C) 2011-2011 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 3 of the License, or
+    (at your option) any later version.
+
+    OpenFOAM is distributed in the hope that it will be useful, but WITHOUT
+    ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+    FITNESS FOR A PARTICULAR PURPOSE.  See the GNU General Public License
+    for more details.
+
+    You should have received a copy of the GNU General Public License
+    along with OpenFOAM.  If not, see <http://www.gnu.org/licenses/>.
+
+Class
+    constPropSite
+
+Description
+
+\*----------------------------------------------------------------------------*/
+
+#include "constPropSite.H"
+
+// * * * * * * * * * * * * * * * * Constructors  * * * * * * * * * * * * * * //
+
+Foam::constPropSite::constPropSite()
+:
+    siteReferencePosition_(vector::zero),
+    siteMass_(0.0),
+    siteCharge_(0.0),
+    siteId_(0),
+    name_(),
+    pairPotentialSite_(false),
+    electrostaticSite_(false)
+{}
+
+
+Foam::constPropSite::constPropSite
+(
+    const vector& siteReferencePosition,
+    const scalar& siteMass,
+    const scalar& siteCharge,
+    const label& siteId,
+    const word& name,
+    const bool& pairPotentialSite,
+    const bool& electrostaticSite
+)
+:
+    siteReferencePosition_(siteReferencePosition),
+    siteMass_(siteMass),
+    siteCharge_(siteCharge),
+    siteId_(siteId),
+    name_(name),
+    pairPotentialSite_(pairPotentialSite),
+    electrostaticSite_(electrostaticSite)
+{}
+
+
+// * * * * * * * * * * * * * * * * Destructor  * * * * * * * * * * * * * * * //
+
+Foam::constPropSite::~constPropSite()
+{}
+
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+// ************************************************************************* //
diff --git a/src/lagrangian/molecularDynamics/molecule/constPropSite/constPropSite.H b/src/lagrangian/molecularDynamics/molecule/constPropSite/constPropSite.H
new file mode 100644
index 0000000000..0ffb63b0a8
--- /dev/null
+++ b/src/lagrangian/molecularDynamics/molecule/constPropSite/constPropSite.H
@@ -0,0 +1,162 @@
+/*---------------------------------------------------------------------------*\
+  =========                 |
+  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
+   \\    /   O peration     |
+    \\  /    A nd           | Copyright (C) 2011-2011 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 3 of the License, or
+    (at your option) any later version.
+
+    OpenFOAM is distributed in the hope that it will be useful, but WITHOUT
+    ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+    FITNESS FOR A PARTICULAR PURPOSE.  See the GNU General Public License
+    for more details.
+
+    You should have received a copy of the GNU General Public License
+    along with OpenFOAM.  If not, see <http://www.gnu.org/licenses/>.
+Class
+
+
+Description
+
+SourceFiles
+    constPropSiteI.H
+    constPropSite.C
+
+\*---------------------------------------------------------------------------*/
+
+#ifndef constPropSite_H
+#define constPropSite_H
+
+#include "vector.H"
+#include "IFstream.H"
+#include "OFstream.H"
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+namespace Foam
+{
+
+/*---------------------------------------------------------------------------*\
+                         Class constPropSite Declaration
+\*---------------------------------------------------------------------------*/
+
+class constPropSite
+{
+    // Private data
+
+        //-
+        vector siteReferencePosition_;
+
+        //-
+        scalar siteMass_;
+
+        //-
+        scalar siteCharge_;
+
+        //-
+        label siteId_;
+
+        //-
+        word name_;
+
+        //-
+        bool pairPotentialSite_;
+
+        //-
+        bool electrostaticSite_;
+
+
+public:
+
+    // Constructors
+
+        //- Construct null
+        constPropSite();
+
+        //- Construct from components
+        constPropSite
+        (
+            const vector& siteReferencePosition,
+            const scalar& siteMass,
+            const scalar& siteCharge,
+            const label& siteId,
+            const word& name,
+            const bool& pairPotentialSite,
+            const bool& electrostaticSite
+        );
+
+
+    // Selectors
+
+    // Destructor
+
+        ~constPropSite();
+
+    // Member Functions
+
+        // Access
+
+            //-
+            inline const vector& siteReferencePosition() const;
+
+            //-
+            inline vector& siteReferencePosition();
+
+            //-
+            inline const scalar& siteMass() const;
+
+            //-
+            inline scalar& siteMass();
+
+            //-
+            inline const scalar& siteCharge() const;
+
+            //-
+            inline scalar& siteCharge();
+
+            //-
+            inline const label& siteId() const;
+
+            //-
+            inline label& siteId();
+
+            //-
+            inline const word& name() const;
+
+            //-
+            inline word& name();
+
+            //-
+            inline const bool& pairPotentialSite() const;
+
+            //-
+            inline bool& pairPotentialSite();
+
+            //-
+            inline const bool& electrostaticSite() const;
+
+            //-
+            inline bool& electrostaticSite();
+};
+
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+} // End namespace Foam
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+#include "constPropSiteI.H"
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+#endif
+
+// ************************************************************************* //
diff --git a/src/lagrangian/molecularDynamics/molecule/constPropSite/constPropSiteI.H b/src/lagrangian/molecularDynamics/molecule/constPropSite/constPropSiteI.H
new file mode 100644
index 0000000000..dbeb395920
--- /dev/null
+++ b/src/lagrangian/molecularDynamics/molecule/constPropSite/constPropSiteI.H
@@ -0,0 +1,117 @@
+/*---------------------------------------------------------------------------*\
+  =========                 |
+  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
+   \\    /   O peration     |
+    \\  /    A nd           | Copyright (C) 2011-2011 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 3 of the License, or
+    (at your option) any later version.
+
+    OpenFOAM is distributed in the hope that it will be useful, but WITHOUT
+    ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+    FITNESS FOR A PARTICULAR PURPOSE.  See the GNU General Public License
+    for more details.
+
+    You should have received a copy of the GNU General Public License
+    along with OpenFOAM.  If not, see <http://www.gnu.org/licenses/>.
+
+Class
+
+
+Description
+
+\*---------------------------------------------------------------------------*/
+
+// * * * * * * * * * * * * * * * Member Functions  * * * * * * * * * * * * * //
+
+inline const Foam::vector& Foam::constPropSite::siteReferencePosition() const
+{
+    return siteReferencePosition_;
+}
+
+
+inline Foam::vector& Foam::constPropSite::siteReferencePosition()
+{
+    return siteReferencePosition_;
+}
+
+
+inline const Foam::scalar& Foam::constPropSite::siteMass() const
+{
+    return siteMass_;
+}
+
+
+inline Foam::scalar& Foam::constPropSite::siteMass()
+{
+    return siteMass_;
+}
+
+
+inline const Foam::scalar& Foam::constPropSite::siteCharge() const
+{
+    return siteCharge_;
+}
+
+
+inline Foam::scalar& Foam::constPropSite::siteCharge()
+{
+    return siteCharge_;
+}
+
+
+inline const Foam::label& Foam::constPropSite::siteId() const
+{
+    return siteId_;
+}
+
+
+inline Foam::label& Foam::constPropSite::siteId()
+{
+    return siteId_;
+}
+
+
+inline const Foam::word& Foam::constPropSite::name() const
+{
+    return name_;
+}
+
+
+inline Foam::word& Foam::constPropSite::name()
+{
+    return name_;
+}
+
+
+inline const bool& Foam::constPropSite::pairPotentialSite() const
+{
+    return pairPotentialSite_;
+}
+
+
+inline bool& Foam::constPropSite::pairPotentialSite()
+{
+    return pairPotentialSite_;
+}
+
+
+inline const bool& Foam::constPropSite::electrostaticSite() const
+{
+    return electrostaticSite_;
+}
+
+
+inline bool& Foam::constPropSite::electrostaticSite()
+{
+    return electrostaticSite_;
+}
+
+
+// ************************************************************************* //
diff --git a/src/lagrangian/molecularDynamics/molecule/molecule/moleculeI.H b/src/lagrangian/molecularDynamics/molecule/molecule/moleculeI.H
deleted file mode 100644
index 451ed5750c..0000000000
--- a/src/lagrangian/molecularDynamics/molecule/molecule/moleculeI.H
+++ /dev/null
@@ -1,606 +0,0 @@
-/*---------------------------------------------------------------------------*\
-  =========                 |
-  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
-   \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 2008-2011 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 3 of the License, or
-    (at your option) any later version.
-
-    OpenFOAM is distributed in the hope that it will be useful, but WITHOUT
-    ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
-    FITNESS FOR A PARTICULAR PURPOSE.  See the GNU General Public License
-    for more details.
-
-    You should have received a copy of the GNU General Public License
-    along with OpenFOAM.  If not, see <http://www.gnu.org/licenses/>.
-
-\*---------------------------------------------------------------------------*/
-
-// * * * * * * * * * * * * * * * * Constructors  * * * * * * * * * * * * * * //
-
-inline Foam::molecule::constantProperties::constantProperties()
-:
-    siteReferencePositions_(Field<vector>(0)),
-    siteMasses_(List<scalar>(0)),
-    siteCharges_(List<scalar>(0)),
-    siteIds_(List<label>(0)),
-    pairPotentialSites_(List<bool>(false)),
-    electrostaticSites_(List<bool>(false)),
-    momentOfInertia_(diagTensor(0, 0, 0)),
-    mass_(0)
-{}
-
-
-inline Foam::molecule::constantProperties::constantProperties
-(
-    const dictionary& dict
-)
-:
-    siteReferencePositions_(dict.lookup("siteReferencePositions")),
-    siteMasses_(dict.lookup("siteMasses")),
-    siteCharges_(dict.lookup("siteCharges")),
-    siteIds_(List<word>(dict.lookup("siteIds")).size(), -1),
-    pairPotentialSites_(),
-    electrostaticSites_(),
-    momentOfInertia_(),
-    mass_()
-{
-    checkSiteListSizes();
-
-    setInteracionSiteBools
-    (
-        List<word>(dict.lookup("siteIds")),
-        List<word>(dict.lookup("pairPotentialSiteIds"))
-    );
-
-    mass_ = sum(siteMasses_);
-
-    vector centreOfMass(vector::zero);
-
-    // Calculate the centre of mass of the body and subtract it from each
-    // position
-
-    forAll(siteReferencePositions_, i)
-    {
-        centreOfMass += siteReferencePositions_[i]*siteMasses_[i];
-    }
-
-    centreOfMass /= mass_;
-
-    siteReferencePositions_ -= centreOfMass;
-
-    if (siteIds_.size() == 1)
-    {
-        // Single site molecule - no rotational motion.
-
-        siteReferencePositions_[0] = vector::zero;
-
-        momentOfInertia_ = diagTensor(-1, -1, -1);
-    }
-    else if (linearMoleculeTest())
-    {
-        // Linear molecule.
-
-        Info<< nl << "Linear molecule." << endl;
-
-        vector dir = siteReferencePositions_[1] - siteReferencePositions_[0];
-
-        dir /= mag(dir);
-
-        tensor Q = rotationTensor(dir, vector(1,0,0));
-
-        siteReferencePositions_ = (Q & siteReferencePositions_);
-
-        // The rotation was around the centre of mass but remove any
-        // components that have crept in due to floating point errors
-
-        centreOfMass = vector::zero;
-
-        forAll(siteReferencePositions_, i)
-        {
-            centreOfMass += siteReferencePositions_[i]*siteMasses_[i];
-        }
-
-        centreOfMass /= mass_;
-
-        siteReferencePositions_ -= centreOfMass;
-
-        diagTensor momOfInertia = diagTensor::zero;
-
-        forAll(siteReferencePositions_, i)
-        {
-            const vector& p(siteReferencePositions_[i]);
-
-            momOfInertia +=
-                siteMasses_[i]*diagTensor(0, p.x()*p.x(), p.x()*p.x());
-        }
-
-        momentOfInertia_ = diagTensor
-         (
-             -1,
-             momOfInertia.yy(),
-             momOfInertia.zz()
-         );
-    }
-    else
-    {
-        // Fully 6DOF molecule
-
-        // Calculate the inertia tensor in the current orientation
-
-        tensor momOfInertia(tensor::zero);
-
-        forAll(siteReferencePositions_, i)
-        {
-            const vector& p(siteReferencePositions_[i]);
-
-            momOfInertia += siteMasses_[i]*tensor
-            (
-                p.y()*p.y() + p.z()*p.z(), -p.x()*p.y(), -p.x()*p.z(),
-                -p.y()*p.x(), p.x()*p.x() + p.z()*p.z(), -p.y()*p.z(),
-                -p.z()*p.x(), -p.z()*p.y(), p.x()*p.x() + p.y()*p.y()
-            );
-        }
-
-        if (eigenValues(momOfInertia).x() < VSMALL)
-        {
-            FatalErrorIn("molecule::constantProperties::constantProperties")
-                << "An eigenvalue of the inertia tensor is zero, the molecule "
-                << dict.name() << " is not a valid 6DOF shape."
-                << nl << abort(FatalError);
-        }
-
-        // Normalise the inertia tensor magnitude to avoid SMALL numbers in the
-        // components causing problems
-
-        momOfInertia /= eigenValues(momOfInertia).x();
-
-        tensor e = eigenVectors(momOfInertia);
-
-        // Calculate the transformation between the principle axes to the
-        // global axes
-
-        tensor Q =
-            vector(1,0,0)*e.x() + vector(0,1,0)*e.y() + vector(0,0,1)*e.z();
-
-        // Transform the site positions
-
-        siteReferencePositions_ = (Q & siteReferencePositions_);
-
-        // Recalculating the moment of inertia with the new site positions
-
-        // The rotation was around the centre of mass but remove any
-        // components that have crept in due to floating point errors
-
-        centreOfMass = vector::zero;
-
-        forAll(siteReferencePositions_, i)
-        {
-            centreOfMass += siteReferencePositions_[i]*siteMasses_[i];
-        }
-
-        centreOfMass /= mass_;
-
-        siteReferencePositions_ -= centreOfMass;
-
-        // Calculate the moment of inertia in the principle component
-        // reference frame
-
-        momOfInertia = tensor::zero;
-
-        forAll(siteReferencePositions_, i)
-        {
-            const vector& p(siteReferencePositions_[i]);
-
-            momOfInertia += siteMasses_[i]*tensor
-            (
-                p.y()*p.y() + p.z()*p.z(), -p.x()*p.y(), -p.x()*p.z(),
-                -p.y()*p.x(), p.x()*p.x() + p.z()*p.z(), -p.y()*p.z(),
-                -p.z()*p.x(), -p.z()*p.y(), p.x()*p.x() + p.y()*p.y()
-            );
-        }
-
-        momentOfInertia_ = diagTensor
-        (
-            momOfInertia.xx(),
-            momOfInertia.yy(),
-            momOfInertia.zz()
-        );
-    }
-}
-
-
-inline Foam::molecule::molecule
-(
-    const polyMesh& mesh,
-    const vector& position,
-    const label cellI,
-    const label tetFaceI,
-    const label tetPtI,
-    const tensor& Q,
-    const vector& v,
-    const vector& a,
-    const vector& pi,
-    const vector& tau,
-    const vector& specialPosition,
-    const constantProperties& constProps,
-    const label special,
-    const label id
-
-)
-:
-    particle(mesh, position, cellI, tetFaceI, tetPtI),
-    Q_(Q),
-    v_(v),
-    a_(a),
-    pi_(pi),
-    tau_(tau),
-    specialPosition_(specialPosition),
-    potentialEnergy_(0.0),
-    rf_(tensor::zero),
-    special_(special),
-    id_(id),
-    siteForces_(constProps.nSites(), vector::zero),
-    sitePositions_(constProps.nSites())
-{
-    setSitePositions(constProps);
-}
-
-
-// * * * * * * * constantProperties Private Member Functions * * * * * * * * //
-
-inline void Foam::molecule::constantProperties::checkSiteListSizes() const
-{
-    if
-    (
-        siteIds_.size() != siteReferencePositions_.size()
-     || siteIds_.size() != siteCharges_.size()
-    )
-    {
-        FatalErrorIn("molecule::constantProperties::checkSiteListSizes")
-            << "Sizes of site id, charge and "
-            << "referencePositions are not the same. "
-            << nl << abort(FatalError);
-    }
-}
-
-
-inline void Foam::molecule::constantProperties::setInteracionSiteBools
-(
-    const List<word>& siteIds,
-    const List<word>& pairPotSiteIds
-)
-{
-    pairPotentialSites_.setSize(siteIds_.size());
-
-    electrostaticSites_.setSize(siteIds_.size());
-
-    forAll(siteIds_, i)
-    {
-        const word& id(siteIds[i]);
-
-        pairPotentialSites_[i] = (findIndex(pairPotSiteIds, id) > -1);
-
-        electrostaticSites_[i] = (mag(siteCharges_[i]) > VSMALL);
-    }
-}
-
-
-inline bool Foam::molecule::constantProperties::linearMoleculeTest() const
-{
-    if (siteIds_.size() == 2)
-    {
-        return true;
-    }
-
-    vector refDir = siteReferencePositions_[1] - siteReferencePositions_[0];
-
-    refDir /= mag(refDir);
-
-    for
-    (
-        label i = 2;
-        i < siteReferencePositions_.size();
-        i++
-    )
-    {
-        vector dir = siteReferencePositions_[i] - siteReferencePositions_[i-1];
-
-        dir /= mag(dir);
-
-        if (mag(refDir & dir) < 1 - SMALL)
-        {
-            return false;
-        }
-    }
-
-    return true;
-}
-
-
-// * * * * * * * constantProperties Member Functions * * * * * * * * * * * * //
-
-inline const Foam::Field<Foam::vector>&
-Foam::molecule::constantProperties::siteReferencePositions() const
-{
-    return siteReferencePositions_;
-}
-
-
-inline const Foam::List<Foam::scalar>&
-Foam::molecule::constantProperties::siteMasses() const
-{
-    return siteMasses_;
-}
-
-
-inline const Foam::List<Foam::scalar>&
-Foam::molecule::constantProperties::siteCharges() const
-{
-    return siteCharges_;
-}
-
-
-inline const Foam::List<Foam::label>&
-Foam::molecule::constantProperties::siteIds() const
-{
-    return siteIds_;
-}
-
-
-inline Foam::List<Foam::label>&
-Foam::molecule::constantProperties::siteIds()
-{
-    return siteIds_;
-}
-
-
-inline const Foam::List<bool>&
-Foam::molecule::constantProperties::pairPotentialSites() const
-{
-    return pairPotentialSites_;
-}
-
-
-inline bool Foam::molecule::constantProperties::pairPotentialSite
-(
-    label sId
-) const
-{
-    label s = findIndex(siteIds_, sId);
-
-    if (s == -1)
-    {
-        FatalErrorIn("moleculeI.H") << nl
-            << sId << " site not found."
-            << nl << abort(FatalError);
-    }
-
-    return pairPotentialSites_[s];
-}
-
-
-inline const Foam::List<bool>&
-Foam::molecule::constantProperties::electrostaticSites() const
-{
-    return electrostaticSites_;
-}
-
-
-inline bool Foam::molecule::constantProperties::electrostaticSite
-(
-    label sId
-) const
-{
-    label s = findIndex(siteIds_, sId);
-
-    if (s == -1)
-    {
-        FatalErrorIn
-        (
-            "molecule::constantProperties::electrostaticSite(label)"
-        )   << sId << " site not found."
-            << nl << abort(FatalError);
-    }
-
-    return electrostaticSites_[s];
-}
-
-
-inline const Foam::diagTensor&
-Foam::molecule::constantProperties::momentOfInertia() const
-{
-    return momentOfInertia_;
-}
-
-
-inline bool Foam::molecule::constantProperties::linearMolecule() const
-{
-    return ((momentOfInertia_.xx() < 0) && (momentOfInertia_.yy() > 0));
-}
-
-
-inline bool Foam::molecule::constantProperties::pointMolecule() const
-{
-    return (momentOfInertia_.zz() < 0);
-}
-
-
-inline Foam::label Foam::molecule::constantProperties::degreesOfFreedom() const
-{
-    if (linearMolecule())
-    {
-        return 5;
-    }
-    else if (pointMolecule())
-    {
-        return 3;
-    }
-    else
-    {
-        return 6;
-    }
-}
-
-
-inline Foam::scalar Foam::molecule::constantProperties::mass() const
-{
-    return mass_;
-}
-
-
-inline Foam::label Foam::molecule::constantProperties::nSites() const
-{
-    return siteIds_.size();
-
-}
-
-
-// * * * * * * * * * * * * molecule Member Functions * * * * * * * * * * * * //
-
-inline const Foam::tensor& Foam::molecule::Q() const
-{
-    return Q_;
-}
-
-
-inline Foam::tensor& Foam::molecule::Q()
-{
-    return Q_;
-}
-
-
-inline const Foam::vector& Foam::molecule::v() const
-{
-    return v_;
-}
-
-
-inline Foam::vector& Foam::molecule::v()
-{
-    return v_;
-}
-
-
-inline const Foam::vector& Foam::molecule::a() const
-{
-    return a_;
-}
-
-
-inline Foam::vector& Foam::molecule::a()
-{
-    return a_;
-}
-
-
-inline const Foam::vector& Foam::molecule::pi() const
-{
-    return pi_;
-}
-
-
-inline Foam::vector& Foam::molecule::pi()
-{
-    return pi_;
-}
-
-
-inline const Foam::vector& Foam::molecule::tau() const
-{
-    return tau_;
-}
-
-
-inline Foam::vector& Foam::molecule::tau()
-{
-    return tau_;
-}
-
-
-inline const Foam::List<Foam::vector>& Foam::molecule::siteForces() const
-{
-    return siteForces_;
-}
-
-
-inline Foam::List<Foam::vector>& Foam::molecule::siteForces()
-{
-    return siteForces_;
-}
-
-
-inline const Foam::List<Foam::vector>& Foam::molecule::sitePositions() const
-{
-    return sitePositions_;
-}
-
-
-inline Foam::List<Foam::vector>& Foam::molecule::sitePositions()
-{
-    return sitePositions_;
-}
-
-
-inline const Foam::vector& Foam::molecule::specialPosition() const
-{
-    return specialPosition_;
-}
-
-
-inline Foam::vector& Foam::molecule::specialPosition()
-{
-    return specialPosition_;
-}
-
-
-inline Foam::scalar Foam::molecule::potentialEnergy() const
-{
-    return potentialEnergy_;
-}
-
-
-inline Foam::scalar& Foam::molecule::potentialEnergy()
-{
-    return potentialEnergy_;
-}
-
-
-inline const Foam::tensor& Foam::molecule::rf() const
-{
-    return rf_;
-}
-
-
-inline Foam::tensor& Foam::molecule::rf()
-{
-    return rf_;
-}
-
-
-inline Foam::label Foam::molecule::special() const
-{
-    return special_;
-}
-
-
-inline bool Foam::molecule::tethered() const
-{
-    return special_ == SPECIAL_TETHERED;
-}
-
-
-inline Foam::label Foam::molecule::id() const
-{
-    return id_;
-}
-
-
-// ************************************************************************* //
diff --git a/src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloudI.H b/src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloudI.H
deleted file mode 100644
index dbeee755a5..0000000000
--- a/src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloudI.H
+++ /dev/null
@@ -1,390 +0,0 @@
-/*---------------------------------------------------------------------------*\
-  =========                 |
-  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
-   \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 2008-2010 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 3 of the License, or
-    (at your option) any later version.
-
-    OpenFOAM is distributed in the hope that it will be useful, but WITHOUT
-    ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
-    FITNESS FOR A PARTICULAR PURPOSE.  See the GNU General Public License
-    for more details.
-
-    You should have received a copy of the GNU General Public License
-    along with OpenFOAM.  If not, see <http://www.gnu.org/licenses/>.
-
-\*---------------------------------------------------------------------------*/
-
-#include "constants.H"
-
-using namespace Foam::constant;
-
-// * * * * * * * * * * * * * Private Member Functions  * * * * * * * * * * * //
-
-inline void Foam::moleculeCloud::evaluatePair
-(
-    molecule& molI,
-    molecule& molJ
-)
-{
-    const pairPotentialList& pairPot = pot_.pairPotentials();
-
-    const pairPotential& electrostatic = pairPot.electrostatic();
-
-    label idI = molI.id();
-
-    label idJ = molJ.id();
-
-    const molecule::constantProperties& constPropI(constProps(idI));
-
-    const molecule::constantProperties& constPropJ(constProps(idJ));
-
-    List<label> siteIdsI = constPropI.siteIds();
-
-    List<label> siteIdsJ = constPropJ.siteIds();
-
-    List<bool> pairPotentialSitesI = constPropI.pairPotentialSites();
-
-    List<bool> electrostaticSitesI = constPropI.electrostaticSites();
-
-    List<bool> pairPotentialSitesJ = constPropJ.pairPotentialSites();
-
-    List<bool> electrostaticSitesJ = constPropJ.electrostaticSites();
-
-    forAll(siteIdsI, sI)
-    {
-        label idsI(siteIdsI[sI]);
-
-        forAll(siteIdsJ, sJ)
-        {
-            label idsJ(siteIdsJ[sJ]);
-
-            if (pairPotentialSitesI[sI] && pairPotentialSitesJ[sJ])
-            {
-                vector rsIsJ =
-                    molI.sitePositions()[sI] - molJ.sitePositions()[sJ];
-
-                scalar rsIsJMagSq = magSqr(rsIsJ);
-
-                if (pairPot.rCutSqr(idsI, idsJ, rsIsJMagSq))
-                {
-                    scalar rsIsJMag = mag(rsIsJ);
-
-                    vector fsIsJ =
-                        (rsIsJ/rsIsJMag)
-                       *pairPot.force(idsI, idsJ, rsIsJMag);
-
-                    molI.siteForces()[sI] += fsIsJ;
-
-                    molJ.siteForces()[sJ] += -fsIsJ;
-
-                    scalar potentialEnergy
-                    (
-                        pairPot.energy(idsI, idsJ, rsIsJMag)
-                    );
-
-                    molI.potentialEnergy() += 0.5*potentialEnergy;
-
-                    molJ.potentialEnergy() += 0.5*potentialEnergy;
-
-                    vector rIJ = molI.position() - molJ.position();
-
-                    tensor virialContribution =
-                        (rsIsJ*fsIsJ)*(rsIsJ & rIJ)/rsIsJMagSq;
-
-                    molI.rf() += virialContribution;
-
-                    molJ.rf() += virialContribution;
-                }
-            }
-
-            if (electrostaticSitesI[sI] && electrostaticSitesJ[sJ])
-            {
-                vector rsIsJ =
-                molI.sitePositions()[sI] - molJ.sitePositions()[sJ];
-
-                scalar rsIsJMagSq = magSqr(rsIsJ);
-
-                if (rsIsJMagSq <= electrostatic.rCutSqr())
-                {
-                    scalar rsIsJMag = mag(rsIsJ);
-
-                    scalar chargeI = constPropI.siteCharges()[sI];
-
-                    scalar chargeJ = constPropJ.siteCharges()[sJ];
-
-                    vector fsIsJ =
-                        (rsIsJ/rsIsJMag)
-                       *chargeI*chargeJ*electrostatic.force(rsIsJMag);
-
-                    molI.siteForces()[sI] += fsIsJ;
-
-                    molJ.siteForces()[sJ] += -fsIsJ;
-
-                    scalar potentialEnergy =
-                        chargeI*chargeJ
-                       *electrostatic.energy(rsIsJMag);
-
-                    molI.potentialEnergy() += 0.5*potentialEnergy;
-
-                    molJ.potentialEnergy() += 0.5*potentialEnergy;
-
-                    vector rIJ = molI.position() - molJ.position();
-
-                    tensor virialContribution =
-                        (rsIsJ*fsIsJ)*(rsIsJ & rIJ)/rsIsJMagSq;
-
-                    molI.rf() += virialContribution;
-
-                    molJ.rf() += virialContribution;
-                }
-            }
-        }
-    }
-}
-
-
-inline bool Foam::moleculeCloud::evaluatePotentialLimit
-(
-    molecule& molI,
-    molecule& molJ
-) const
-{
-    const pairPotentialList& pairPot = pot_.pairPotentials();
-
-    const pairPotential& electrostatic = pairPot.electrostatic();
-
-    label idI = molI.id();
-
-    label idJ = molJ.id();
-
-    const molecule::constantProperties& constPropI(constProps(idI));
-
-    const molecule::constantProperties& constPropJ(constProps(idJ));
-
-    List<label> siteIdsI = constPropI.siteIds();
-
-    List<label> siteIdsJ = constPropJ.siteIds();
-
-    List<bool> pairPotentialSitesI = constPropI.pairPotentialSites();
-
-    List<bool> electrostaticSitesI = constPropI.electrostaticSites();
-
-    List<bool> pairPotentialSitesJ = constPropJ.pairPotentialSites();
-
-    List<bool> electrostaticSitesJ = constPropJ.electrostaticSites();
-
-    forAll(siteIdsI, sI)
-    {
-        label idsI(siteIdsI[sI]);
-
-        forAll(siteIdsJ, sJ)
-        {
-            label idsJ(siteIdsJ[sJ]);
-
-            if (pairPotentialSitesI[sI] && pairPotentialSitesJ[sJ])
-            {
-                vector rsIsJ =
-                    molI.sitePositions()[sI] - molJ.sitePositions()[sJ];
-
-                scalar rsIsJMagSq = magSqr(rsIsJ);
-
-                if (pairPot.rCutSqr(idsI, idsJ, rsIsJMagSq))
-                {
-                    scalar rsIsJMag = mag(rsIsJ);
-
-                    // Guard against pairPot.energy being evaluated
-                    // if rIJMag < SMALL. A floating point exception will
-                    // happen otherwise.
-
-                    if (rsIsJMag < SMALL)
-                    {
-                        WarningIn("moleculeCloud::removeHighEnergyOverlaps()")
-                            << "Molecule site pair closer than "
-                            << SMALL
-                            << ": mag separation = " << rsIsJMag
-                            << ". These may have been placed on top of each"
-                            << " other by a rounding error in mdInitialise in"
-                            << " parallel or a block filled with molecules"
-                            << " twice. Removing one of the molecules."
-                            << endl;
-
-                        return true;
-                    }
-
-                    // Guard against pairPot.energy being evaluated if rIJMag <
-                    // rMin.  A tabulation lookup error will occur otherwise.
-
-                    if (rsIsJMag < pairPot.rMin(idsI, idsJ))
-                    {
-                        return true;
-                    }
-
-                    if
-                    (
-                        mag(pairPot.energy(idsI, idsJ, rsIsJMag))
-                      > pot_.potentialEnergyLimit()
-                    )
-                    {
-                        return true;
-                    };
-                }
-            }
-
-            if (electrostaticSitesI[sI] && electrostaticSitesJ[sJ])
-            {
-                vector rsIsJ =
-                    molI.sitePositions()[sI] - molJ.sitePositions()[sJ];
-
-                scalar rsIsJMagSq = magSqr(rsIsJ);
-
-                if (pairPot.rCutMaxSqr(rsIsJMagSq))
-                {
-                    scalar rsIsJMag = mag(rsIsJ);
-
-                    // Guard against pairPot.energy being evaluated
-                    // if rIJMag < SMALL. A floating point exception will
-                    // happen otherwise.
-
-                    if (rsIsJMag < SMALL)
-                    {
-                        WarningIn("moleculeCloud::removeHighEnergyOverlaps()")
-                            << "Molecule site pair closer than "
-                            << SMALL
-                            << ": mag separation = " << rsIsJMag
-                            << ". These may have been placed on top of each"
-                            << " other by a rounding error in mdInitialise in"
-                            << " parallel or a block filled with molecules"
-                            << " twice. Removing one of the molecules."
-                            << endl;
-
-                        return true;
-                    }
-
-                    if (rsIsJMag < electrostatic.rMin())
-                    {
-                        return true;
-                    }
-
-                    scalar chargeI = constPropI.siteCharges()[sI];
-
-                    scalar chargeJ = constPropJ.siteCharges()[sJ];
-
-                    if
-                    (
-                        mag(chargeI*chargeJ*electrostatic.energy(rsIsJMag))
-                      > pot_.potentialEnergyLimit()
-                    )
-                    {
-                        return true;
-                    };
-                }
-            }
-        }
-    }
-
-    return false;
-}
-
-
-inline Foam::vector Foam::moleculeCloud::equipartitionLinearVelocity
-(
-    scalar temperature,
-    scalar mass
-)
-{
-    return sqrt(physicoChemical::k.value()*temperature/mass)*vector
-    (
-        rndGen_.GaussNormal(),
-        rndGen_.GaussNormal(),
-        rndGen_.GaussNormal()
-    );
-}
-
-
-inline Foam::vector Foam::moleculeCloud::equipartitionAngularMomentum
-(
-    scalar temperature,
-    const molecule::constantProperties& cP
-)
-{
-    scalar sqrtKbT = sqrt(physicoChemical::k.value()*temperature);
-
-    if (cP.linearMolecule())
-    {
-        return sqrtKbT*vector
-        (
-            0.0,
-            sqrt(cP.momentOfInertia().yy())*rndGen_.GaussNormal(),
-            sqrt(cP.momentOfInertia().zz())*rndGen_.GaussNormal()
-        );
-    }
-    else
-    {
-        return sqrtKbT*vector
-        (
-            sqrt(cP.momentOfInertia().xx())*rndGen_.GaussNormal(),
-            sqrt(cP.momentOfInertia().yy())*rndGen_.GaussNormal(),
-            sqrt(cP.momentOfInertia().zz())*rndGen_.GaussNormal()
-        );
-    }
-}
-
-
-// * * * * * * * * * * * * * * * Member Functions  * * * * * * * * * * * * * //
-
-inline const Foam::polyMesh& Foam::moleculeCloud::mesh() const
-{
-    return mesh_;
-}
-
-
-inline const Foam::potential& Foam::moleculeCloud::pot() const
-{
-    return pot_;
-}
-
-
-inline const Foam::List<Foam::DynamicList<Foam::molecule*> >&
-    Foam::moleculeCloud::cellOccupancy() const
-{
-    return cellOccupancy_;
-}
-
-
-inline const Foam::InteractionLists<Foam::molecule>&
-    Foam::moleculeCloud::il() const
-{
-    return il_;
-}
-
-
-inline const Foam::List<Foam::molecule::constantProperties>
-    Foam::moleculeCloud::constProps() const
-{
-    return constPropList_;
-}
-
-
-inline const Foam::molecule::constantProperties&
-    Foam::moleculeCloud::constProps(label id) const
-{
-    return constPropList_[id];
-}
-
-
-inline Foam::Random& Foam::moleculeCloud::rndGen()
-{
-    return rndGen_;
-}
-
-
-// ************************************************************************* //
diff --git a/src/lagrangian/molecularDynamics/molecule/molecule/molecule.C b/src/lagrangian/molecularDynamics/molecule/polyatomic/polyatomic/polyatomic.C
similarity index 81%
rename from src/lagrangian/molecularDynamics/molecule/molecule/molecule.C
rename to src/lagrangian/molecularDynamics/molecule/polyatomic/polyatomic/polyatomic.C
index 1163d3f184..dc22e42cf1 100644
--- a/src/lagrangian/molecularDynamics/molecule/molecule/molecule.C
+++ b/src/lagrangian/molecularDynamics/molecule/polyatomic/polyatomic/polyatomic.C
@@ -23,14 +23,14 @@ License
 
 \*----------------------------------------------------------------------------*/
 
-#include "moleculeCloud.H"
-#include "molecule.H"
+#include "polyatomicCloud.H"
+#include "polyatomic.H"
 #include "Random.H"
 #include "Time.H"
 
 // * * * * * * * * * * * * * Private Member Functions  * * * * * * * * * * * //
 
-Foam::tensor Foam::molecule::rotationTensorX(scalar phi) const
+Foam::tensor Foam::polyatomic::rotationTensorX(scalar phi) const
 {
     return tensor
     (
@@ -41,7 +41,7 @@ Foam::tensor Foam::molecule::rotationTensorX(scalar phi) const
 }
 
 
-Foam::tensor Foam::molecule::rotationTensorY(scalar phi) const
+Foam::tensor Foam::polyatomic::rotationTensorY(scalar phi) const
 {
     return tensor
     (
@@ -52,7 +52,7 @@ Foam::tensor Foam::molecule::rotationTensorY(scalar phi) const
 }
 
 
-Foam::tensor Foam::molecule::rotationTensorZ(scalar phi) const
+Foam::tensor Foam::polyatomic::rotationTensorZ(scalar phi) const
 {
     return tensor
     (
@@ -65,11 +65,20 @@ Foam::tensor Foam::molecule::rotationTensorZ(scalar phi) const
 
 // * * * * * * * * * * * * * * * Member Functions  * * * * * * * * * * * * * //
 
-bool Foam::molecule::move(molecule::trackingData& td, const scalar trackTime)
+bool Foam::polyatomic::move
+(
+    polyatomic::trackingData& td,
+    const scalar trackTime
+)
 {
     td.switchProcessor = false;
     td.keepParticle = true;
 
+    if (special_ != SPECIAL_FROZEN)
+    {
+        return td.keepParticle;
+    }
+
     const constantProperties& constProps(td.cloud().constProps(id_));
 
     if (td.part() == 0)
@@ -151,13 +160,15 @@ bool Foam::molecule::move(molecule::trackingData& td, const scalar trackTime)
 
         tau_ = vector::zero;
 
-        forAll(siteForces_, s)
+        forAll(siteForces_, sI)
         {
-            const vector& f = siteForces_[s];
+            const vector& f = siteForces_[sI];
 
             a_ += f/m;
 
-            tau_ += (constProps.siteReferencePositions()[s] ^ (Q_.T() & f));
+            tau_ +=
+                constProps.sites()[sI].siteReferencePosition()
+              ^ (Q_.T() & f);
         }
 
         v_ += 0.5*trackTime*a_;
@@ -180,7 +191,7 @@ bool Foam::molecule::move(molecule::trackingData& td, const scalar trackTime)
     }
     else
     {
-        FatalErrorIn("molecule::move(trackingData&, const scalar)") << nl
+        FatalErrorIn("polyatomic::move(trackingData&, const scalar)") << nl
             << td.part() << " is an invalid part of the integration method."
             << abort(FatalError);
     }
@@ -189,7 +200,7 @@ bool Foam::molecule::move(molecule::trackingData& td, const scalar trackTime)
 }
 
 
-void Foam::molecule::transformProperties(const tensor& T)
+void Foam::polyatomic::transformProperties(const tensor& T)
 {
     particle::transformProperties(T);
 
@@ -211,7 +222,7 @@ void Foam::molecule::transformProperties(const tensor& T)
 }
 
 
-void Foam::molecule::transformProperties(const vector& separation)
+void Foam::polyatomic::transformProperties(const vector& separation)
 {
     particle::transformProperties(separation);
 
@@ -224,13 +235,18 @@ void Foam::molecule::transformProperties(const vector& separation)
 }
 
 
-void Foam::molecule::setSitePositions(const constantProperties& constProps)
+void Foam::polyatomic::setSitePositions(const constantProperties& constProps)
 {
-    sitePositions_ = position_ + (Q_ & constProps.siteReferencePositions());
+    forAll(constProps.sites(), sI)
+    {
+        sitePositions_[sI] =
+            position_
+          + (Q_ & constProps.sites()[sI].siteReferencePosition());
+    }
 }
 
 
-void Foam::molecule::setSiteSizes(label size)
+void Foam::polyatomic::setSiteSizes(label size)
 {
     sitePositions_.setSize(size);
 
@@ -238,7 +254,7 @@ void Foam::molecule::setSiteSizes(label size)
 }
 
 
-bool Foam::molecule::hitPatch
+bool Foam::polyatomic::hitPatch
 (
     const polyPatch&,
     trackingData&,
@@ -251,7 +267,7 @@ bool Foam::molecule::hitPatch
 }
 
 
-void Foam::molecule::hitProcessorPatch
+void Foam::polyatomic::hitProcessorPatch
 (
     const processorPolyPatch&,
     trackingData& td
@@ -261,7 +277,7 @@ void Foam::molecule::hitProcessorPatch
 }
 
 
-void Foam::molecule::hitWallPatch
+void Foam::polyatomic::hitWallPatch
 (
     const wallPolyPatch& wpp,
     trackingData& td,
@@ -269,7 +285,7 @@ void Foam::molecule::hitWallPatch
 )
 {
     // Use of the normal from tetIs is not required as
-    // hasWallImpactDistance for a moleculeCloud is false.
+    // hasWallImpactDistance for a polyatomicCloud is false.
     vector nw = normal();
     nw /= mag(nw);
 
@@ -283,7 +299,7 @@ void Foam::molecule::hitWallPatch
 }
 
 
-void Foam::molecule::hitPatch
+void Foam::polyatomic::hitPatch
 (
     const polyPatch&,
     trackingData& td
diff --git a/src/lagrangian/molecularDynamics/molecule/molecule/molecule.H b/src/lagrangian/molecularDynamics/molecule/polyatomic/polyatomic/polyatomic.H
similarity index 77%
rename from src/lagrangian/molecularDynamics/molecule/molecule/molecule.H
rename to src/lagrangian/molecularDynamics/molecule/polyatomic/polyatomic/polyatomic.H
index 54bdb51b9f..3b314ff2ac 100644
--- a/src/lagrangian/molecularDynamics/molecule/molecule/molecule.H
+++ b/src/lagrangian/molecularDynamics/molecule/polyatomic/polyatomic/polyatomic.H
@@ -22,25 +22,26 @@ License
     along with OpenFOAM.  If not, see <http://www.gnu.org/licenses/>.
 
 Class
-    Foam::molecule
+    Foam::polyatomic
 
 Description
-    Foam::molecule
+    Foam::polyatomic
 
 SourceFiles
-    moleculeI.H
-    molecule.C
-    moleculeIO.C
+    polyatomicI.H
+    polyatomic.C
+    polyatomicIO.C
 
 \*---------------------------------------------------------------------------*/
 
-#ifndef molecule_H
-#define molecule_H
+#ifndef polyatomic_H
+#define polyatomic_H
 
 #include "particle.H"
 #include "IOstream.H"
 #include "autoPtr.H"
 #include "diagTensor.H"
+#include "constPropSite.H"
 
 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
@@ -48,13 +49,13 @@ namespace Foam
 {
 
 // Class forward declarations
-class moleculeCloud;
+class polyatomicCloud;
 
 /*---------------------------------------------------------------------------*\
-                           Class molecule Declaration
+                           Class polyatomic Declaration
 \*---------------------------------------------------------------------------*/
 
-class molecule
+class polyatomic
 :
     public particle
 {
@@ -73,23 +74,21 @@ public:
         SPECIAL_USER     = 1
     };
 
-    //- Class to hold molecule constant properties
+    //- Class to hold polyatomic constant properties
     class constantProperties
     {
         // Private data
 
-            Field<vector> siteReferencePositions_;
+            //- Sites of mass, charge or interaction
+            List<constPropSite> sites_;
 
-            List<scalar> siteMasses_;
+            //- Which sites require electrostatic interactions
+            List<label> electrostaticSites_;
 
-            List<scalar> siteCharges_;
-
-            List<label> siteIds_;
-
-            List<bool> pairPotentialSites_;
-
-            List<bool> electrostaticSites_;
+            //- Which sites require pair interactions
+            List<label> pairPotSites_;
 
+            //- Moment of intertia (in principal axis configiration)
             diagTensor momentOfInertia_;
 
             scalar mass_;
@@ -97,8 +96,6 @@ public:
 
         // Private Member Functions
 
-            void checkSiteListSizes() const;
-
             void setInteracionSiteBools
             (
                 const List<word>& siteIds,
@@ -113,27 +110,19 @@ public:
         inline constantProperties();
 
         //- Construct from dictionary
-        inline constantProperties(const dictionary& dict);
+        inline constantProperties
+        (
+            const dictionary& dict,
+            const labelList& siteIds
+        );
 
         // Member functions
 
-        inline const Field<vector>& siteReferencePositions() const;
+        inline const List<constPropSite>& sites() const;
 
-        inline const List<scalar>& siteMasses() const;
+        inline const List<label>& pairPotSites() const;
 
-        inline const List<scalar>& siteCharges() const;
-
-        inline const List<label>& siteIds() const;
-
-        inline List<label>& siteIds();
-
-        inline const List<bool>& pairPotentialSites() const;
-
-        inline bool pairPotentialSite(label sId) const;
-
-        inline const List<bool>& electrostaticSites() const;
-
-        inline bool electrostaticSite(label sId) const;
+        inline const List<label>& electrostaticSites() const;
 
         inline const diagTensor& momentOfInertia() const;
 
@@ -152,7 +141,7 @@ public:
     //- Class used to pass tracking data to the trackToFace function
     class trackingData
     :
-        public particle::TrackingData<moleculeCloud>
+        public particle::TrackingData<polyatomicCloud>
     {
         // label specifying which part of the integration algorithm is taking
         label part_;
@@ -162,9 +151,9 @@ public:
 
         // Constructors
 
-            trackingData(moleculeCloud& cloud, label part)
+            trackingData(polyatomicCloud& cloud, label part)
             :
-                particle::TrackingData<moleculeCloud>(cloud),
+                particle::TrackingData<polyatomicCloud>(cloud),
                 part_(part)
             {}
 
@@ -181,14 +170,22 @@ private:
 
     // Private data
 
+        //- Orientation, stored as the rotation tensor to transform
+        //  from the polyatomic to the global reference frame, i.e.:
+        //  globalVector = Q_ & bodyLocalVector
+        //  bodyLocalVector = Q_.T() & globalVector
         tensor Q_;
 
+        // Linear velocity of polyatomic
         vector v_;
 
+        // Total linear acceleration of polyatomic
         vector a_;
 
+        //- Angular momentum of polyatomic, in body local reference frame
         vector pi_;
 
+        //- Total torque on polyatomic, in body local reference frame
         vector tau_;
 
         vector specialPosition_;
@@ -198,6 +195,9 @@ private:
         // - r_ij f_ij, stress dyad
         tensor rf_;
 
+//         // - r_ij outer product f_ij: virial contribution
+//         tensor rDotf_;
+
         label special_;
 
         label id_;
@@ -218,12 +218,12 @@ private:
 
 public:
 
-    friend class Cloud<molecule>;
+    friend class Cloud<polyatomic>;
 
     // Constructors
 
         //- Construct from components
-        inline molecule
+        inline polyatomic
         (
             const polyMesh& mesh,
             const vector& position,
@@ -242,7 +242,7 @@ public:
         );
 
         //- Construct from Istream
-        molecule
+        polyatomic
         (
             const polyMesh& mesh,
             Istream& is,
@@ -252,7 +252,7 @@ public:
         //- Construct and return a clone
         autoPtr<particle> clone() const
         {
-            return autoPtr<particle>(new molecule(*this));
+            return autoPtr<particle>(new polyatomic(*this));
         }
 
         //- Factory class to read-construct particles used for
@@ -268,9 +268,9 @@ public:
                 mesh_(mesh)
             {}
 
-            autoPtr<molecule> operator()(Istream& is) const
+            autoPtr<polyatomic> operator()(Istream& is) const
             {
-                return autoPtr<molecule>(new molecule(mesh_, is, true));
+                return autoPtr<polyatomic>(new polyatomic(mesh_, is, true));
             }
         };
 
@@ -367,14 +367,14 @@ public:
 
     // I-O
 
-        static void readFields(Cloud<molecule>& mC);
+        static void readFields(Cloud<polyatomic>& mC);
 
-        static void writeFields(const Cloud<molecule>& mC);
+        static void writeFields(const Cloud<polyatomic>& mC);
 
 
     // IOstream Operators
 
-        friend Ostream& operator<<(Ostream&, const molecule&);
+        friend Ostream& operator<<(Ostream&, const polyatomic&);
 };
 
 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
@@ -383,7 +383,7 @@ public:
 
 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
-#include "moleculeI.H"
+#include "polyatomicI.H"
 
 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
diff --git a/src/lagrangian/molecularDynamics/molecule/polyatomic/polyatomic/polyatomicI.H b/src/lagrangian/molecularDynamics/molecule/polyatomic/polyatomic/polyatomicI.H
new file mode 100644
index 0000000000..faf24d1f1c
--- /dev/null
+++ b/src/lagrangian/molecularDynamics/molecule/polyatomic/polyatomic/polyatomicI.H
@@ -0,0 +1,592 @@
+/*---------------------------------------------------------------------------*\
+  =========                 |
+  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
+   \\    /   O peration     |
+    \\  /    A nd           | Copyright (C) 2008-2011 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 3 of the License, or
+    (at your option) any later version.
+
+    OpenFOAM is distributed in the hope that it will be useful, but WITHOUT
+    ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+    FITNESS FOR A PARTICULAR PURPOSE.  See the GNU General Public License
+    for more details.
+
+    You should have received a copy of the GNU General Public License
+    along with OpenFOAM.  If not, see <http://www.gnu.org/licenses/>.
+
+\*---------------------------------------------------------------------------*/
+
+// * * * * * * * * * * * * * * * * Constructors  * * * * * * * * * * * * * * //
+
+inline Foam::polyatomic::constantProperties::constantProperties()
+:
+    sites_(),
+    electrostaticSites_(),
+    pairPotSites_(),
+    momentOfInertia_(diagTensor(0, 0, 0)),
+    mass_(0)
+{}
+
+
+inline Foam::polyatomic::constantProperties::constantProperties
+(
+    const dictionary& dict,
+    const labelList& siteIds
+)
+:
+    sites_(),
+    electrostaticSites_(),
+    pairPotSites_(),
+    momentOfInertia_(),
+    mass_(0)
+{
+    List<word> siteIdNames = dict.lookup("siteIds");
+
+    List<vector> siteReferencePositions(dict.lookup("siteReferencePositions"));
+
+    List<scalar> siteMasses(dict.lookup("siteMasses"));
+
+    List<scalar> siteCharges(dict.lookup("siteCharges"));
+
+    List<word> pairPotentialIds(dict.lookup("pairPotentialSiteIds"));
+
+    if
+    (
+        ( siteIdNames.size() != sites_.size() )
+     || ( siteReferencePositions.size() != sites_.size() )
+     || ( siteCharges.size() != sites_.size() )
+    )
+    {
+            FatalErrorIn
+            (
+                "Foam::polyatomic::constantProperties::constantProperties"
+                "("
+                    "const dictionary& dict"
+                ")"
+            )
+            << "Sizes of site id, charge and "
+            << "referencePositions are not the same: " << sites_.size()
+            << nl << abort(FatalError);
+    }
+
+    sites_.setSize(siteIdNames.size());
+
+    electrostaticSites_.setSize(sites_.size(), -1);
+    pairPotSites_.setSize(sites_.size(), -1);
+
+    label pairI = 0;
+    label electrostaticI = 0;
+
+    forAll(sites_, sI)
+    {
+        sites_[sI] = constPropSite
+        (
+            siteReferencePositions[sI],
+            siteMasses[sI],
+            siteCharges[sI],
+            siteIds[sI],
+            siteIdNames[sI],
+            (findIndex(pairPotentialIds, siteIdNames[sI]) != -1),   // pair
+            (mag(siteCharges[sI]) > VSMALL)                         // charge
+        );
+
+        if (sites_[sI].pairPotentialSite())
+        {
+            pairPotSites_[pairI++] = sI;
+        }
+
+        if (sites_[sI].electrostaticSite())
+        {
+            electrostaticSites_[electrostaticI++] = sI;
+        }
+
+        if (sites_[sI].pairPotentialSite() && !sites_[sI].electrostaticSite())
+        {
+            WarningIn
+            (
+                "Foam::polyatomic::constantProperties::constantProperties"
+                "("
+                    "const dictionary& dict"
+                ")"
+            )
+                << siteIdNames[sI] << " is a non-interacting site." << endl;
+        }
+    }
+
+    pairPotSites_.setSize(pairI);
+    electrostaticSites_.setSize(electrostaticI);
+
+    // Calculate the centre of mass of the body and subtract it from each
+    // position
+
+    vector centreOfMass(vector::zero);
+
+    forAll(sites_, sI)
+    {
+        mass_ += sites_[sI].siteMass();
+
+        centreOfMass +=
+            sites_[sI].siteReferencePosition()*sites_[sI].siteMass();
+    }
+
+    centreOfMass /= mass_;
+
+    forAll(sites_, sI)
+    {
+        sites_[sI].siteReferencePosition() -= centreOfMass;
+    }
+
+    if (sites_.size() == 1)
+    {
+        // Single site polyatomic - no rotational motion.
+
+        sites_[0].siteReferencePosition() = vector::zero;
+
+        momentOfInertia_ = diagTensor(-1, -1, -1);
+    }
+    else if (linearMoleculeTest())
+    {
+        // Linear polyatomic.
+
+        Info<< nl << "Linear polyatomic." << endl;
+
+        vector dir =
+            sites_[1].siteReferencePosition()
+          - sites_[0].siteReferencePosition();
+
+        dir /= mag(dir);
+
+        tensor Q = rotationTensor(dir, vector(1,0,0));
+
+        forAll(sites_, sI)
+        {
+            sites_[sI].siteReferencePosition() =
+                (Q & sites_[sI].siteReferencePosition());
+        }
+
+        // The rotation was around the centre of mass but remove any
+        // components that have crept in due to floating point errors
+
+        centreOfMass = vector::zero;
+
+        forAll(sites_, sI)
+        {
+            centreOfMass +=
+                sites_[sI].siteReferencePosition()*sites_[sI].siteMass();
+        }
+
+        centreOfMass /= mass_;
+
+        forAll(sites_, sI)
+        {
+            sites_[sI].siteReferencePosition() -= centreOfMass;
+        }
+
+        diagTensor momOfInertia = diagTensor::zero;
+
+        forAll(sites_, sI)
+        {
+            const vector& p(sites_[sI].siteReferencePosition());
+
+            momOfInertia +=
+                sites_[sI].siteMass()*diagTensor(0, p.x()*p.x(), p.x()*p.x());
+        }
+
+        momentOfInertia_ = diagTensor
+         (
+             -1,
+             momOfInertia.yy(),
+             momOfInertia.zz()
+         );
+    }
+    else
+    {
+        // Fully 6DOF polyatomic
+
+        // Calculate the inertia tensor in the current orientation
+
+        tensor momOfInertia(tensor::zero);
+
+        forAll(sites_, sI)
+        {
+            const vector& p(sites_[sI].siteReferencePosition());
+
+            momOfInertia += sites_[sI].siteMass()*tensor
+            (
+                p.y()*p.y() + p.z()*p.z(), -p.x()*p.y(), -p.x()*p.z(),
+                -p.y()*p.x(), p.x()*p.x() + p.z()*p.z(), -p.y()*p.z(),
+                -p.z()*p.x(), -p.z()*p.y(), p.x()*p.x() + p.y()*p.y()
+            );
+        }
+
+        if (eigenValues(momOfInertia).x() < VSMALL)
+        {
+            FatalErrorIn("polyatomic::constantProperties::constantProperties")
+                << "An eigenvalue of the inertia tensor is zero, the "
+                << "polyatomic " << dict.name() << " is not a valid 6DOF shape."
+                << nl << abort(FatalError);
+        }
+
+        // Normalise the inertia tensor magnitude to avoid SMALL numbers in the
+        // components causing problems
+
+        momOfInertia /= eigenValues(momOfInertia).x();
+
+        tensor e = eigenVectors(momOfInertia);
+
+        // Calculate the transformation between the principle axes to the
+        // global axes
+
+        tensor Q =
+            vector(1,0,0)*e.x() + vector(0,1,0)*e.y() + vector(0,0,1)*e.z();
+
+        // Transform the site positions
+
+        forAll(sites_, sI)
+        {
+            sites_[sI].siteReferencePosition() =
+                (Q & sites_[sI].siteReferencePosition());
+        }
+
+        // Recalculating the moment of inertia with the new site positions
+
+        // The rotation was around the centre of mass but remove any
+        // components that have crept in due to floating point errors
+
+        centreOfMass = vector::zero;
+
+        forAll(sites_, sI)
+        {
+            centreOfMass +=
+                sites_[sI].siteReferencePosition()*sites_[sI].siteMass();
+        }
+
+        centreOfMass /= mass_;
+
+        forAll(sites_, sI)
+        {
+            sites_[sI].siteReferencePosition() -= centreOfMass;
+        }
+
+        // Calculate the moment of inertia in the principle component
+        // reference frame
+
+        momOfInertia = tensor::zero;
+
+        forAll(sites_, sI)
+        {
+            const vector& p(sites_[sI].siteReferencePosition());
+
+            momOfInertia += sites_[sI].siteMass()*tensor
+            (
+                p.y()*p.y() + p.z()*p.z(), -p.x()*p.y(), -p.x()*p.z(),
+                -p.y()*p.x(), p.x()*p.x() + p.z()*p.z(), -p.y()*p.z(),
+                -p.z()*p.x(), -p.z()*p.y(), p.x()*p.x() + p.y()*p.y()
+            );
+        }
+
+        momentOfInertia_ = diagTensor
+        (
+            momOfInertia.xx(),
+            momOfInertia.yy(),
+            momOfInertia.zz()
+        );
+    }
+}
+
+
+inline Foam::polyatomic::polyatomic
+(
+    const polyMesh& mesh,
+    const vector& position,
+    const label cellI,
+    const label tetFaceI,
+    const label tetPtI,
+    const tensor& Q,
+    const vector& v,
+    const vector& a,
+    const vector& pi,
+    const vector& tau,
+    const vector& specialPosition,
+    const constantProperties& constProps,
+    const label special,
+    const label id
+
+)
+:
+    particle(mesh, position, cellI, tetFaceI, tetPtI),
+    Q_(Q),
+    v_(v),
+    a_(a),
+    pi_(pi),
+    tau_(tau),
+    specialPosition_(specialPosition),
+    potentialEnergy_(0.0),
+    rf_(tensor::zero),
+    special_(special),
+    id_(id),
+    siteForces_(constProps.nSites(), vector::zero),
+    sitePositions_(constProps.nSites())
+{
+    setSitePositions(constProps);
+}
+
+
+// * * * * * * * constantProperties Private Member Functions * * * * * * * * //
+
+inline bool Foam::polyatomic::constantProperties::linearMoleculeTest() const
+{
+    if (sites_.size() == 2)
+    {
+        return true;
+    }
+
+    vector refDir =
+        sites_[1].siteReferencePosition()
+      - sites_[0].siteReferencePosition();
+
+    refDir /= mag(refDir);
+
+    for
+    (
+        label i = 2;
+        i < sites_.size();
+        i++
+    )
+    {
+        vector dir =
+            sites_[i].siteReferencePosition()
+          - sites_[i - 1].siteReferencePosition();
+
+        dir /= mag(dir);
+
+        if (mag(refDir & dir) < 1 - SMALL)
+        {
+            return false;
+        }
+    }
+
+    return true;
+}
+
+
+// * * * * * * * constantProperties Member Functions * * * * * * * * * * * * //
+
+inline const Foam::List<Foam::constPropSite>&
+Foam::polyatomic::constantProperties::sites() const
+{
+    return sites_;
+}
+
+
+inline const Foam::List<Foam::label>&
+Foam::polyatomic::constantProperties::pairPotSites() const
+{
+    return pairPotSites_;
+}
+
+
+inline const Foam::List<Foam::label>&
+Foam::polyatomic::constantProperties::electrostaticSites() const
+{
+    return electrostaticSites_;
+}
+
+
+inline const Foam::diagTensor&
+Foam::polyatomic::constantProperties::momentOfInertia() const
+{
+    return momentOfInertia_;
+}
+
+
+inline bool Foam::polyatomic::constantProperties::linearMolecule() const
+{
+    return ((momentOfInertia_.xx() < 0) && (momentOfInertia_.yy() > 0));
+}
+
+
+inline bool Foam::polyatomic::constantProperties::pointMolecule() const
+{
+    return (momentOfInertia_.zz() < 0);
+}
+
+
+inline Foam::label
+Foam::polyatomic::constantProperties::degreesOfFreedom() const
+{
+    if (linearMolecule())
+    {
+        return 5;
+    }
+    else if (pointMolecule())
+    {
+        return 3;
+    }
+    else
+    {
+        return 6;
+    }
+}
+
+
+inline Foam::scalar Foam::polyatomic::constantProperties::mass() const
+{
+    return mass_;
+}
+
+
+inline Foam::label Foam::polyatomic::constantProperties::nSites() const
+{
+    return sites_.size();
+}
+
+
+// * * * * * * * * * * * * * * Member Functions  * * * * * * * * * * * * * * //
+
+inline const Foam::tensor& Foam::polyatomic::Q() const
+{
+    return Q_;
+}
+
+
+inline Foam::tensor& Foam::polyatomic::Q()
+{
+    return Q_;
+}
+
+
+inline const Foam::vector& Foam::polyatomic::v() const
+{
+    return v_;
+}
+
+
+inline Foam::vector& Foam::polyatomic::v()
+{
+    return v_;
+}
+
+
+inline const Foam::vector& Foam::polyatomic::a() const
+{
+    return a_;
+}
+
+
+inline Foam::vector& Foam::polyatomic::a()
+{
+    return a_;
+}
+
+
+inline const Foam::vector& Foam::polyatomic::pi() const
+{
+    return pi_;
+}
+
+
+inline Foam::vector& Foam::polyatomic::pi()
+{
+    return pi_;
+}
+
+
+inline const Foam::vector& Foam::polyatomic::tau() const
+{
+    return tau_;
+}
+
+
+inline Foam::vector& Foam::polyatomic::tau()
+{
+    return tau_;
+}
+
+
+inline const Foam::List<Foam::vector>& Foam::polyatomic::siteForces() const
+{
+    return siteForces_;
+}
+
+
+inline Foam::List<Foam::vector>& Foam::polyatomic::siteForces()
+{
+    return siteForces_;
+}
+
+
+inline const Foam::List<Foam::vector>& Foam::polyatomic::sitePositions() const
+{
+    return sitePositions_;
+}
+
+
+inline Foam::List<Foam::vector>& Foam::polyatomic::sitePositions()
+{
+    return sitePositions_;
+}
+
+
+inline const Foam::vector& Foam::polyatomic::specialPosition() const
+{
+    return specialPosition_;
+}
+
+
+inline Foam::vector& Foam::polyatomic::specialPosition()
+{
+    return specialPosition_;
+}
+
+
+inline Foam::scalar Foam::polyatomic::potentialEnergy() const
+{
+    return potentialEnergy_;
+}
+
+
+inline Foam::scalar& Foam::polyatomic::potentialEnergy()
+{
+    return potentialEnergy_;
+}
+
+
+inline const Foam::tensor& Foam::polyatomic::rf() const
+{
+    return rf_;
+}
+
+
+inline Foam::tensor& Foam::polyatomic::rf()
+{
+    return rf_;
+}
+
+
+inline Foam::label Foam::polyatomic::special() const
+{
+    return special_;
+}
+
+
+inline bool Foam::polyatomic::tethered() const
+{
+    return special_ == SPECIAL_TETHERED;
+}
+
+
+inline Foam::label Foam::polyatomic::id() const
+{
+    return id_;
+}
+
+
+// ************************************************************************* //
diff --git a/src/lagrangian/molecularDynamics/molecule/molecule/moleculeIO.C b/src/lagrangian/molecularDynamics/molecule/polyatomic/polyatomic/polyatomicIO.C
similarity index 90%
rename from src/lagrangian/molecularDynamics/molecule/molecule/moleculeIO.C
rename to src/lagrangian/molecularDynamics/molecule/polyatomic/polyatomic/polyatomicIO.C
index 77685e6c0d..0d93a071c0 100644
--- a/src/lagrangian/molecularDynamics/molecule/molecule/moleculeIO.C
+++ b/src/lagrangian/molecularDynamics/molecule/polyatomic/polyatomic/polyatomicIO.C
@@ -23,13 +23,13 @@ License
 
 \*---------------------------------------------------------------------------*/
 
-#include "molecule.H"
+#include "polyatomic.H"
 #include "IOstreams.H"
-#include "moleculeCloud.H"
+#include "polyatomicCloud.H"
 
 // * * * * * * * * * * * * * * * * Constructors  * * * * * * * * * * * * * * //
 
-Foam::molecule::molecule
+Foam::polyatomic::polyatomic
 (
     const polyMesh& mesh,
     Istream& is,
@@ -91,13 +91,13 @@ Foam::molecule::molecule
     // Check state of Istream
     is.check
     (
-        "Foam::molecule::molecule"
-        "(const Cloud<molecule>& cloud, Foam::Istream&), bool"
+        "Foam::polyatomic::polyatomic"
+        "(const Cloud<polyatomic>& cloud, Foam::Istream&), bool"
     );
 }
 
 
-void Foam::molecule::readFields(Cloud<molecule>& mC)
+void Foam::polyatomic::readFields(Cloud<polyatomic>& mC)
 {
     if (!mC.size())
     {
@@ -134,9 +134,9 @@ void Foam::molecule::readFields(Cloud<molecule>& mC)
     mC.checkFieldIOobject(mC, id);
 
     label i = 0;
-    forAllIter(moleculeCloud, mC, iter)
+    forAllIter(polyatomicCloud, mC, iter)
     {
-        molecule& mol = iter();
+        polyatomic& mol = iter();
 
         mol.Q_ = Q[i];
         mol.v_ = v[i];
@@ -151,7 +151,7 @@ void Foam::molecule::readFields(Cloud<molecule>& mC)
 }
 
 
-void Foam::molecule::writeFields(const Cloud<molecule>& mC)
+void Foam::polyatomic::writeFields(const Cloud<polyatomic>& mC)
 {
     particle::writeFields(mC);
 
@@ -203,9 +203,9 @@ void Foam::molecule::writeFields(const Cloud<molecule>& mC)
     );
 
     label i = 0;
-    forAllConstIter(moleculeCloud, mC, iter)
+    forAllConstIter(polyatomicCloud, mC, iter)
     {
-        const molecule& mol = iter();
+        const polyatomic& mol = iter();
 
         Q[i] = mol.Q_;
         v[i] = mol.v_;
@@ -244,13 +244,13 @@ void Foam::molecule::writeFields(const Cloud<molecule>& mC)
 
     Info<< "writeFields " << mC.name() << endl;
 
-    if (isA<moleculeCloud>(mC))
+    if (isA<polyatomicCloud>(mC))
     {
-        const moleculeCloud& m = dynamic_cast<const moleculeCloud&>(mC);
+        const polyatomicCloud& m = dynamic_cast<const polyatomicCloud&>(mC);
 
         m.writeXYZ
         (
-            m.mesh().time().timePath()/cloud::prefix/"moleculeCloud.xmol"
+            m.mesh().time().timePath()/cloud::prefix/"polyatomicCloud.xmol"
         );
     }
 }
@@ -258,7 +258,7 @@ void Foam::molecule::writeFields(const Cloud<molecule>& mC)
 
 // * * * * * * * * * * * * * * * IOstream Operators  * * * * * * * * * * * * //
 
-Foam::Ostream& Foam::operator<<(Ostream& os, const molecule& mol)
+Foam::Ostream& Foam::operator<<(Ostream& os, const polyatomic& mol)
 {
     if (os.format() == IOstream::ASCII)
     {
@@ -302,7 +302,7 @@ Foam::Ostream& Foam::operator<<(Ostream& os, const molecule& mol)
     os.check
     (
         "Foam::Ostream& Foam::operator<<"
-        "(Foam::Ostream&, const Foam::molecule&)"
+        "(Foam::Ostream&, const Foam::polyatomic&)"
     );
 
     return os;
diff --git a/src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloud.C b/src/lagrangian/molecularDynamics/molecule/polyatomic/polyatomicCloud/polyatomicCloud.C
similarity index 87%
rename from src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloud.C
rename to src/lagrangian/molecularDynamics/molecule/polyatomic/polyatomicCloud/polyatomicCloud.C
index 289735c170..a49d9d2319 100644
--- a/src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloud.C
+++ b/src/lagrangian/molecularDynamics/molecule/polyatomic/polyatomicCloud/polyatomicCloud.C
@@ -23,7 +23,7 @@ License
 
 \*----------------------------------------------------------------------------*/
 
-#include "moleculeCloud.H"
+#include "polyatomicCloud.H"
 #include "fvMesh.H"
 #include "mathematicalConstants.H"
 
@@ -33,14 +33,14 @@ using namespace Foam::constant::mathematical;
 
 namespace Foam
 {
-    defineTemplateTypeNameAndDebug(Cloud<molecule>, 0);
+    defineTemplateTypeNameAndDebug(Cloud<polyatomic>, 0);
 }
 
 // * * * * * * * * * * * * * Private Member Functions  * * * * * * * * * * * //
 
-void Foam::moleculeCloud::buildConstProps()
+void Foam::polyatomicCloud::buildConstProps()
 {
-    Info<< nl << "Reading moleculeProperties dictionary." << endl;
+    Info<< nl << "Reading polyatomicProperties dictionary." << endl;
 
     const List<word>& idList(pot_.idList());
 
@@ -48,11 +48,11 @@ void Foam::moleculeCloud::buildConstProps()
 
     const List<word>& siteIdList(pot_.siteIdList());
 
-    IOdictionary moleculePropertiesDict
+    IOdictionary polyatomicPropertiesDict
     (
         IOobject
         (
-            "moleculeProperties",
+            "polyatomicProperties",
             mesh_.time().constant(),
             mesh_,
             IOobject::MUST_READ_IF_MODIFIED,
@@ -64,7 +64,8 @@ void Foam::moleculeCloud::buildConstProps()
     forAll(idList, i)
     {
         const word& id = idList[i];
-        const dictionary& molDict = moleculePropertiesDict.subDict(id);
+
+        const dictionary& molDict(polyatomicPropertiesDict.subDict(id));
 
         List<word> siteIdNames = molDict.lookup("siteIds");
 
@@ -78,26 +79,32 @@ void Foam::moleculeCloud::buildConstProps()
 
             if (siteIds[sI] == -1)
             {
-                FatalErrorIn("moleculeCloud::buildConstProps()")
+                FatalErrorIn
+                (
+                    "Foam::polyatomic::constantProperties::constantProperties"
+                    "("
+                    "const dictionary& dict"
+                    ")"
+                )
                     << siteId << " site not found."
                     << nl << abort(FatalError);
             }
         }
 
-        molecule::constantProperties& constProp = constPropList_[i];
-
-        constProp = molecule::constantProperties(molDict);
-
-        constProp.siteIds() = siteIds;
+        constPropList_[i] = polyatomic::constantProperties
+        (
+            molDict,
+            siteIds
+        );
     }
 }
 
 
-void Foam::moleculeCloud::setSiteSizesAndPositions()
+void Foam::polyatomicCloud::setSiteSizesAndPositions()
 {
-    forAllIter(moleculeCloud, *this, mol)
+    forAllIter(polyatomicCloud, *this, mol)
     {
-        const molecule::constantProperties& cP = constProps(mol().id());
+        const polyatomic::constantProperties& cP = constProps(mol().id());
 
         mol().setSiteSizes(cP.nSites());
 
@@ -106,14 +113,14 @@ void Foam::moleculeCloud::setSiteSizesAndPositions()
 }
 
 
-void Foam::moleculeCloud::buildCellOccupancy()
+void Foam::polyatomicCloud::buildCellOccupancy()
 {
     forAll(cellOccupancy_, cO)
     {
         cellOccupancy_[cO].clear();
     }
 
-    forAllIter(moleculeCloud, *this, mol)
+    forAllIter(polyatomicCloud, *this, mol)
     {
         cellOccupancy_[mol().cell()].append(&mol());
     }
@@ -125,15 +132,15 @@ void Foam::moleculeCloud::buildCellOccupancy()
 }
 
 
-void Foam::moleculeCloud::calculatePairForce()
+void Foam::polyatomicCloud::calculatePairForce()
 {
     PstreamBuffers pBufs(Pstream::nonBlocking);
 
     // Start sending referred data
     il_.sendReferredData(cellOccupancy(), pBufs);
 
-    molecule* molI = NULL;
-    molecule* molJ = NULL;
+    polyatomic* molI = NULL;
+    polyatomic* molJ = NULL;
 
     {
         // Real-Real interactions
@@ -148,7 +155,7 @@ void Foam::moleculeCloud::calculatePairForce()
 
                 forAll(dil[d], interactingCells)
                 {
-                    List<molecule*> cellJ =
+                    List<polyatomic*> cellJ =
                         cellOccupancy_[dil[d][interactingCells]];
 
                     forAll(cellJ, cellJMols)
@@ -180,24 +187,24 @@ void Foam::moleculeCloud::calculatePairForce()
 
         const labelListList& ril = il_.ril();
 
-        List<IDLList<molecule> >& referredMols = il_.referredParticles();
+        List<IDLList<polyatomic> >& referredMols = il_.referredParticles();
 
         forAll(ril, r)
         {
             const List<label>& realCells = ril[r];
 
-            IDLList<molecule>& refMols = referredMols[r];
+            IDLList<polyatomic>& refMols = referredMols[r];
 
             forAllIter
             (
-                IDLList<molecule>,
+                IDLList<polyatomic>,
                 refMols,
                 refMol
             )
             {
                 forAll(realCells, rC)
                 {
-                    List<molecule*> cellI = cellOccupancy_[realCells[rC]];
+                    List<polyatomic*> cellI = cellOccupancy_[realCells[rC]];
 
                     forAll(cellI, cellIMols)
                     {
@@ -212,11 +219,11 @@ void Foam::moleculeCloud::calculatePairForce()
 }
 
 
-void Foam::moleculeCloud::calculateTetherForce()
+void Foam::polyatomicCloud::calculateTetherForce()
 {
     const tetherPotentialList& tetherPot(pot_.tetherPotentials());
 
-    forAllIter(moleculeCloud, *this, mol)
+    forAllIter(polyatomicCloud, *this, mol)
     {
         if (mol().tethered())
         {
@@ -239,16 +246,16 @@ void Foam::moleculeCloud::calculateTetherForce()
 }
 
 
-void Foam::moleculeCloud::calculateExternalForce()
+void Foam::polyatomicCloud::calculateExternalForce()
 {
-    forAllIter(moleculeCloud, *this, mol)
+    forAllIter(polyatomicCloud, *this, mol)
     {
         mol().a() += pot_.gravity();
     }
 }
 
 
-void Foam::moleculeCloud::removeHighEnergyOverlaps()
+void Foam::polyatomicCloud::removeHighEnergyOverlaps()
 {
     Info<< nl << "Removing high energy overlaps, limit = "
         << pot_.potentialEnergyLimit()
@@ -267,11 +274,11 @@ void Foam::moleculeCloud::removeHighEnergyOverlaps()
 
     // Real-Real interaction
 
-    molecule* molI = NULL;
-    molecule* molJ = NULL;
+    polyatomic* molI = NULL;
+    polyatomic* molJ = NULL;
 
     {
-        DynamicList<molecule*> molsToDelete;
+        DynamicList<polyatomic*> molsToDelete;
 
         const labelListList& dil(il_.dil());
 
@@ -283,7 +290,7 @@ void Foam::moleculeCloud::removeHighEnergyOverlaps()
 
                 forAll(dil[d], interactingCells)
                 {
-                    List<molecule*> cellJ =
+                    List<polyatomic*> cellJ =
                         cellOccupancy_[dil[d][interactingCells]];
 
                     forAll(cellJ, cellJMols)
@@ -369,19 +376,19 @@ void Foam::moleculeCloud::removeHighEnergyOverlaps()
     // Real-Referred interaction
 
     {
-        DynamicList<molecule*> molsToDelete;
+        DynamicList<polyatomic*> molsToDelete;
 
         const labelListList& ril(il_.ril());
 
-        List<IDLList<molecule> >& referredMols = il_.referredParticles();
+        List<IDLList<polyatomic> >& referredMols = il_.referredParticles();
 
         forAll(ril, r)
         {
-            IDLList<molecule>& refMols = referredMols[r];
+            IDLList<polyatomic>& refMols = referredMols[r];
 
             forAllIter
             (
-                IDLList<molecule>,
+                IDLList<polyatomic>,
                 refMols,
                 refMol
             )
@@ -394,7 +401,7 @@ void Foam::moleculeCloud::removeHighEnergyOverlaps()
                 {
                     label cellI = realCells[rC];
 
-                    List<molecule*> cellIMols = cellOccupancy_[cellI];
+                    List<polyatomic*> cellIMols = cellOccupancy_[cellI];
 
                     forAll(cellIMols, cIM)
                     {
@@ -423,7 +430,7 @@ void Foam::moleculeCloud::removeHighEnergyOverlaps()
                              == findIndex(pot_.removalOrder(), idJ)
                             )
                             {
-                                // Remove one of the molecules
+                                // Remove one of the polyatomics
                                 // arbitrarily, assuring that a
                                 // consistent decision is made for
                                 // both real-referred pairs.
@@ -463,24 +470,25 @@ void Foam::moleculeCloud::removeHighEnergyOverlaps()
         reduce(molsRemoved, sumOp<label>());
     }
 
-    Info<< tab << molsRemoved << " molecules removed" << endl;
+    Info<< tab << molsRemoved << " polyatomics removed" << endl;
 }
 
 
-void Foam::moleculeCloud::initialiseMolecules
+void Foam::polyatomicCloud::initialiseMolecules
 (
     const IOdictionary& mdInitialiseDict
 )
 {
     Info<< nl
-        << "Initialising molecules in each zone specified in mdInitialiseDict."
+        << "Initialising polyatomics in each zone specified in "
+        << mdInitialiseDict.name()
         << endl;
 
     const cellZoneMesh& cellZones = mesh_.cellZones();
 
     if (!cellZones.size())
     {
-        FatalErrorIn("void Foam::moleculeCloud::initialiseMolecules")
+        FatalErrorIn("void Foam::polyatomicCloud::initialiseMolecules")
             << "No cellZones found in the mesh."
             << abort(FatalError);
     }
@@ -520,7 +528,7 @@ void Foam::moleculeCloud::initialiseMolecules
 
                 if (latticeIds.size() != latticePositions.size())
                 {
-                    FatalErrorIn("Foam::moleculeCloud::initialiseMolecules")
+                    FatalErrorIn("Foam::polyatomicCloud::initialiseMolecules")
                         << "latticeIds and latticePositions must be the same "
                         << " size." << nl
                         << abort(FatalError);
@@ -542,7 +550,7 @@ void Foam::moleculeCloud::initialiseMolecules
 
                     if (numberDensity < VSMALL)
                     {
-                        WarningIn("moleculeCloud::initialiseMolecules")
+                        WarningIn("polyatomicCloud::initialiseMolecules")
                             << "numberDensity too small, not filling zone "
                             << zone.name() << endl;
 
@@ -563,7 +571,10 @@ void Foam::moleculeCloud::initialiseMolecules
                     {
                         label id = findIndex(pot_.idList(), latticeIds[i]);
 
-                        const molecule::constantProperties& cP(constProps(id));
+                        const polyatomic::constantProperties& cP
+                        (
+                            constProps(id)
+                        );
 
                         unitCellMass += cP.mass();
                     }
@@ -575,7 +586,7 @@ void Foam::moleculeCloud::initialiseMolecules
 
                     if (massDensity < VSMALL)
                     {
-                        WarningIn("moleculeCloud::initialiseMolecules")
+                        WarningIn("polyatomicCloud::initialiseMolecules")
                             << "massDensity too small, not filling zone "
                             << zone.name() << endl;
 
@@ -591,7 +602,7 @@ void Foam::moleculeCloud::initialiseMolecules
                 }
                 else
                 {
-                    FatalErrorIn("Foam::moleculeCloud::initialiseMolecules")
+                    FatalErrorIn("Foam::polyatomicCloud::initialiseMolecules")
                         << "massDensity or numberDensity not specified " << nl
                         << abort(FatalError);
                 }
@@ -686,8 +697,8 @@ void Foam::moleculeCloud::initialiseMolecules
 
                 anchor += (R & (latticeCellShape & latticeAnchor));
 
-                // Continue trying to place molecules as long as at
-                // least one molecule is placed in each iteration.
+                // Continue trying to place polyatomics as long as at
+                // least one polyatomic is placed in each iteration.
                 // The "|| totalZoneMols == 0" condition means that the
                 // algorithm will continue if the origin is outside the
                 // zone.
@@ -709,7 +720,7 @@ void Foam::moleculeCloud::initialiseMolecules
                     bool partOfLayerInBounds = false;
 
                     // ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
-                    // start of placement of molecules
+                    // start of placement of polyatomics
                     // ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
 
                     if (n == 0)
@@ -949,7 +960,7 @@ void Foam::moleculeCloud::initialiseMolecules
                     }
 
                     // ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
-                    // end of placement of molecules
+                    // end of placement of polyatomics
                     // ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
 
                     if
@@ -958,10 +969,13 @@ void Foam::moleculeCloud::initialiseMolecules
                      && !partOfLayerInBounds
                     )
                     {
-                        WarningIn("Foam::moleculeCloud::initialiseMolecules()")
+                        WarningIn
+                        (
+                            "Foam::polyatomicCloud::initialiseMolecules()"
+                        )
                             << "A whole layer of unit cells was placed "
                             << "outside the bounds of the mesh, but no "
-                            << "molecules have been placed in zone '"
+                            << "polyatomics have been placed in zone '"
                             << zone.name()
                             << "'.  This is likely to be because the zone "
                             << "has few cells ("
@@ -987,7 +1001,7 @@ void Foam::moleculeCloud::initialiseMolecules
 }
 
 
-void Foam::moleculeCloud::createMolecule
+void Foam::polyatomicCloud::createMolecule
 (
     const point& position,
     label cell,
@@ -1006,7 +1020,7 @@ void Foam::moleculeCloud::createMolecule
 
     if (cell == -1)
     {
-        FatalErrorIn("Foam::moleculeCloud::createMolecule")
+        FatalErrorIn("Foam::polyatomicCloud::createMolecule")
             << "Position specified does not correspond to a mesh cell." << nl
             << abort(FatalError);
     }
@@ -1019,10 +1033,10 @@ void Foam::moleculeCloud::createMolecule
     {
         specialPosition = position;
 
-        special = molecule::SPECIAL_TETHERED;
+        special = polyatomic::SPECIAL_TETHERED;
     }
 
-    const molecule::constantProperties& cP(constProps(id));
+    const polyatomic::constantProperties& cP(constProps(id));
 
     vector v = equipartitionLinearVelocity(temperature, cP.mass());
 
@@ -1058,7 +1072,7 @@ void Foam::moleculeCloud::createMolecule
 
     addParticle
     (
-        new molecule
+        new polyatomic
         (
             mesh_,
             position,
@@ -1079,11 +1093,11 @@ void Foam::moleculeCloud::createMolecule
 }
 
 
-Foam::label Foam::moleculeCloud::nSites() const
+Foam::label Foam::polyatomicCloud::nSites() const
 {
     label n = 0;
 
-    forAllConstIter(moleculeCloud, *this, mol)
+    forAllConstIter(polyatomicCloud, *this, mol)
     {
         n += constProps(mol().id()).nSites();
     }
@@ -1094,14 +1108,14 @@ Foam::label Foam::moleculeCloud::nSites() const
 
 // * * * * * * * * * * * * * * * * Constructors  * * * * * * * * * * * * * * //
 
-Foam::moleculeCloud::moleculeCloud
+Foam::polyatomicCloud::polyatomicCloud
 (
     const polyMesh& mesh,
     const potential& pot,
     bool readFields
 )
 :
-    Cloud<molecule>(mesh, "moleculeCloud", false),
+    Cloud<polyatomic>(mesh, "polyatomicCloud", false),
     mesh_(mesh),
     pot_(pot),
     cellOccupancy_(mesh_.nCells()),
@@ -1111,7 +1125,7 @@ Foam::moleculeCloud::moleculeCloud
 {
     if (readFields)
     {
-        molecule::readFields(*this);
+        polyatomic::readFields(*this);
     }
 
     buildConstProps();
@@ -1124,7 +1138,7 @@ Foam::moleculeCloud::moleculeCloud
 }
 
 
-Foam::moleculeCloud::moleculeCloud
+Foam::polyatomicCloud::polyatomicCloud
 (
     const polyMesh& mesh,
     const potential& pot,
@@ -1132,7 +1146,7 @@ Foam::moleculeCloud::moleculeCloud
     bool readFields
 )
 :
-    Cloud<molecule>(mesh, "moleculeCloud", false),
+    Cloud<polyatomic>(mesh, "polyatomicCloud", false),
     mesh_(mesh),
     pot_(pot),
     il_(mesh_, 0.0, false),
@@ -1141,7 +1155,7 @@ Foam::moleculeCloud::moleculeCloud
 {
     if (readFields)
     {
-        molecule::readFields(*this);
+        polyatomic::readFields(*this);
     }
 
     clear();
@@ -1154,30 +1168,30 @@ Foam::moleculeCloud::moleculeCloud
 
 // * * * * * * * * * * * * * * * Member Functions  * * * * * * * * * * * * * //
 
-void Foam::moleculeCloud::evolve()
+void Foam::polyatomicCloud::evolve()
 {
-    molecule::trackingData td0(*this, 0);
-    Cloud<molecule>::move(td0, mesh_.time().deltaTValue());
+    polyatomic::trackingData td0(*this, 0);
+    Cloud<polyatomic>::move(td0, mesh_.time().deltaTValue());
 
-    molecule::trackingData td1(*this, 1);
-    Cloud<molecule>::move(td1, mesh_.time().deltaTValue());
+    polyatomic::trackingData td1(*this, 1);
+    Cloud<polyatomic>::move(td1, mesh_.time().deltaTValue());
 
-    molecule::trackingData td2(*this, 2);
-    Cloud<molecule>::move(td2, mesh_.time().deltaTValue());
+    polyatomic::trackingData td2(*this, 2);
+    Cloud<polyatomic>::move(td2, mesh_.time().deltaTValue());
 
     calculateForce();
 
-    molecule::trackingData td3(*this, 3);
-    Cloud<molecule>::move(td3, mesh_.time().deltaTValue());
+    polyatomic::trackingData td3(*this, 3);
+    Cloud<polyatomic>::move(td3, mesh_.time().deltaTValue());
 }
 
 
-void Foam::moleculeCloud::calculateForce()
+void Foam::polyatomicCloud::calculateForce()
 {
     buildCellOccupancy();
 
     // Set accumulated quantities to zero
-    forAllIter(moleculeCloud, *this, mol)
+    forAllIter(polyatomicCloud, *this, mol)
     {
         mol().siteForces() = vector::zero;
 
@@ -1194,7 +1208,7 @@ void Foam::moleculeCloud::calculateForce()
 }
 
 
-void Foam::moleculeCloud::applyConstraintsAndThermostats
+void Foam::polyatomicCloud::applyConstraintsAndThermostats
 (
     const scalar targetTemperature,
     const scalar measuredTemperature
@@ -1214,7 +1228,7 @@ void Foam::moleculeCloud::applyConstraintsAndThermostats
         << "----------------------------------------"
         << endl;
 
-    forAllIter(moleculeCloud, *this, mol)
+    forAllIter(polyatomicCloud, *this, mol)
     {
         mol().v() *= temperatureCorrectionFactor;
 
@@ -1223,21 +1237,22 @@ void Foam::moleculeCloud::applyConstraintsAndThermostats
 }
 
 
-void Foam::moleculeCloud::writeXYZ(const fileName& fName) const
+void Foam::polyatomicCloud::writeXYZ(const fileName& fName) const
 {
     OFstream os(fName);
 
-    os  << nSites() << nl << "moleculeCloud site positions in angstroms" << nl;
+    os  << nSites() << nl
+        << "polyatomicCloud site positions in angstroms" << nl;
 
-    forAllConstIter(moleculeCloud, *this, mol)
+    forAllConstIter(polyatomicCloud, *this, mol)
     {
-        const molecule::constantProperties& cP = constProps(mol().id());
+        const polyatomic::constantProperties& cP = constProps(mol().id());
 
         forAll(mol().sitePositions(), i)
         {
             const point& sP = mol().sitePositions()[i];
 
-            os  << pot_.siteIdList()[cP.siteIds()[i]]
+            os  << pot_.siteIdList()[cP.sites()[i].siteId()]
                 << ' ' << sP.x()*1e10
                 << ' ' << sP.y()*1e10
                 << ' ' << sP.z()*1e10
diff --git a/src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloud.H b/src/lagrangian/molecularDynamics/molecule/polyatomic/polyatomicCloud/polyatomicCloud.H
similarity index 76%
rename from src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloud.H
rename to src/lagrangian/molecularDynamics/molecule/polyatomic/polyatomicCloud/polyatomicCloud.H
index 7cf3359a35..78afbaec2f 100644
--- a/src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloud.H
+++ b/src/lagrangian/molecularDynamics/molecule/polyatomic/polyatomicCloud/polyatomicCloud.H
@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 2008-2010 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 2008-2011 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
@@ -22,22 +22,22 @@ License
     along with OpenFOAM.  If not, see <http://www.gnu.org/licenses/>.
 
 Class
-    Foam::moleculeCloud
+    Foam::polyatomicCloud
 
 Description
 
 SourceFiles
-    moleculeCloudI.H
-    moleculeCloud.C
+    polyatomicCloudI.H
+    polyatomicCloud.C
 
 
 \*---------------------------------------------------------------------------*/
 
-#ifndef moleculeCloud_H
-#define moleculeCloud_H
+#ifndef polyatomicCloud_H
+#define polyatomicCloud_H
 
 #include "Cloud.H"
-#include "molecule.H"
+#include "polyatomic.H"
 #include "IOdictionary.H"
 #include "potential.H"
 #include "InteractionLists.H"
@@ -51,12 +51,12 @@ namespace Foam
 {
 
 /*---------------------------------------------------------------------------*\
-                       Class moleculeCloud Declaration
+                       Class polyatomicCloud Declaration
 \*---------------------------------------------------------------------------*/
 
-class moleculeCloud
+class polyatomicCloud
 :
-    public Cloud<molecule>
+    public Cloud<polyatomic>
 {
 
 private:
@@ -67,11 +67,11 @@ private:
 
         const potential& pot_;
 
-        List<DynamicList<molecule*> > cellOccupancy_;
+        List<DynamicList<polyatomic*> > cellOccupancy_;
 
-        InteractionLists<molecule> il_;
+        InteractionLists<polyatomic> il_;
 
-        List<molecule::constantProperties> constPropList_;
+        List<polyatomic::constantProperties> constPropList_;
 
         Random rndGen_;
 
@@ -82,21 +82,21 @@ private:
 
         void setSiteSizesAndPositions();
 
-        //- Determine which molecules are in which cells
+        //- Determine which polyatomics are in which cells
         void buildCellOccupancy();
 
         void calculatePairForce();
 
         inline void evaluatePair
         (
-            molecule& molI,
-            molecule& molJ
+            polyatomic& molI,
+            polyatomic& molJ
         );
 
         inline bool evaluatePotentialLimit
         (
-            molecule& molI,
-            molecule& molJ
+            polyatomic& molI,
+            polyatomic& molJ
         ) const;
 
         void calculateTetherForce();
@@ -133,14 +133,14 @@ private:
         inline vector equipartitionAngularMomentum
         (
             scalar temperature,
-            const molecule::constantProperties& cP
+            const polyatomic::constantProperties& cP
         );
 
         //- Disallow default bitwise copy construct
-        moleculeCloud(const moleculeCloud&);
+        polyatomicCloud(const polyatomicCloud&);
 
         //- Disallow default bitwise assignment
-        void operator=(const moleculeCloud&);
+        void operator=(const polyatomicCloud&);
 
 
 public:
@@ -148,7 +148,7 @@ public:
     // Constructors
 
         //- Construct given mesh and potential references
-        moleculeCloud
+        polyatomicCloud
         (
             const polyMesh& mesh,
             const potential& pot,
@@ -156,7 +156,7 @@ public:
         );
 
         //- Construct given mesh, potential and mdInitialiseDict
-        moleculeCloud
+        polyatomicCloud
         (
             const polyMesh& mesh,
             const potential& pot,
@@ -167,7 +167,7 @@ public:
 
     // Member Functions
 
-        //- Evolve the molecules (move, calculate forces, control state etc)
+        //- Evolve the polyatomics (move, calculate forces, control state etc)
         void evolve();
 
         void calculateForce();
@@ -185,13 +185,14 @@ public:
 
             inline const potential& pot() const;
 
-            inline const List<DynamicList<molecule*> >& cellOccupancy() const;
+            inline const List<DynamicList<polyatomic*> >& cellOccupancy() const;
 
-            inline const InteractionLists<molecule>& il() const;
+            inline const InteractionLists<polyatomic>& il() const;
 
-            inline const List<molecule::constantProperties> constProps() const;
+            inline const List<polyatomic::constantProperties>
+            constProps() const;
 
-            inline const molecule::constantProperties&
+            inline const polyatomic::constantProperties&
                 constProps(label id) const;
 
             inline Random& rndGen();
@@ -199,7 +200,7 @@ public:
 
     // Member Operators
 
-        //- Write molecule sites in XYZ format
+        //- Write polyatomic sites in XYZ format
         void writeXYZ(const fileName& fName) const;
 };
 
@@ -210,7 +211,7 @@ public:
 
 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
-#include "moleculeCloudI.H"
+#include "polyatomicCloudI.H"
 
 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
diff --git a/src/lagrangian/molecularDynamics/molecule/polyatomic/polyatomicCloud/polyatomicCloudI.H b/src/lagrangian/molecularDynamics/molecule/polyatomic/polyatomicCloud/polyatomicCloudI.H
new file mode 100644
index 0000000000..c3207f1554
--- /dev/null
+++ b/src/lagrangian/molecularDynamics/molecule/polyatomic/polyatomicCloud/polyatomicCloudI.H
@@ -0,0 +1,383 @@
+/*---------------------------------------------------------------------------*\
+  =========                 |
+  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
+   \\    /   O peration     |
+    \\  /    A nd           | Copyright (C) 2008-2011 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 3 of the License, or
+    (at your option) any later version.
+
+    OpenFOAM is distributed in the hope that it will be useful, but WITHOUT
+    ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+    FITNESS FOR A PARTICULAR PURPOSE.  See the GNU General Public License
+    for more details.
+
+    You should have received a copy of the GNU General Public License
+    along with OpenFOAM.  If not, see <http://www.gnu.org/licenses/>.
+
+\*---------------------------------------------------------------------------*/
+
+#include "constants.H"
+
+using namespace Foam::constant;
+
+// * * * * * * * * * * * * * Private Member Functions  * * * * * * * * * * * //
+
+inline void Foam::polyatomicCloud::evaluatePair
+(
+    polyatomic& molI,
+    polyatomic& molJ
+)
+{
+    const pairPotentialList& pairPot = pot_.pairPotentials();
+
+    const pairPotential& electrostatic = pairPot.electrostatic();
+
+    label idI = molI.id();
+
+    label idJ = molJ.id();
+
+    const polyatomic::constantProperties& constPropI(constProps(idI));
+
+    const polyatomic::constantProperties& constPropJ(constProps(idJ));
+
+    forAll(constPropI.pairPotSites(), pI)
+    {
+        label sI = constPropI.pairPotSites()[pI];
+
+        label idsI = constPropI.sites()[sI].siteId();
+
+        forAll(constPropJ.pairPotSites(), pJ)
+        {
+            label sJ = constPropJ.pairPotSites()[pJ];
+
+            label idsJ = constPropJ.sites()[sJ].siteId();
+
+            vector rsIsJ =
+                molI.sitePositions()[sI] - molJ.sitePositions()[sJ];
+
+            scalar rsIsJMagSq = magSqr(rsIsJ);
+
+            if (pairPot.rCutSqr(idsI, idsJ, rsIsJMagSq))
+            {
+                scalar rsIsJMag = mag(rsIsJ);
+
+                vector fsIsJ =
+                (rsIsJ/rsIsJMag)
+               *pairPot.force(idsI, idsJ, rsIsJMag);
+
+                molI.siteForces()[sI] += fsIsJ;
+
+                molJ.siteForces()[sJ] += -fsIsJ;
+
+                scalar potentialEnergy
+                (
+                    pairPot.energy(idsI, idsJ, rsIsJMag)
+                );
+
+                molI.potentialEnergy() += 0.5*potentialEnergy;
+
+                molJ.potentialEnergy() += 0.5*potentialEnergy;
+
+                vector rIJ = molI.position() - molJ.position();
+
+                tensor virialContribution =
+                (rsIsJ*fsIsJ)*(rsIsJ & rIJ)/rsIsJMagSq;
+
+                molI.rf() += virialContribution;
+
+                molJ.rf() += virialContribution;
+            }
+        }
+    }
+
+
+    forAll(constPropI.electrostaticSites(), pI)
+    {
+        label sI = constPropI.electrostaticSites()[pI];
+
+        forAll(constPropJ.electrostaticSites(), pJ)
+        {
+            label sJ = constPropJ.electrostaticSites()[pJ];
+
+            vector rsIsJ =
+                molI.sitePositions()[sI] - molJ.sitePositions()[sJ];
+
+            scalar rsIsJMagSq = magSqr(rsIsJ);
+
+            if (rsIsJMagSq <= electrostatic.rCutSqr())
+            {
+                scalar rsIsJMag = mag(rsIsJ);
+
+                scalar chargeI = constPropI.sites()[sI].siteCharge();
+
+                scalar chargeJ = constPropJ.sites()[sJ].siteCharge();
+
+                vector fsIsJ =
+                    (rsIsJ/rsIsJMag)
+                   *chargeI*chargeJ*electrostatic.force(rsIsJMag);
+
+                molI.siteForces()[sI] += fsIsJ;
+
+                molJ.siteForces()[sJ] += -fsIsJ;
+
+                scalar potentialEnergy =
+                    chargeI*chargeJ
+                   *electrostatic.energy(rsIsJMag);
+
+                molI.potentialEnergy() += 0.5*potentialEnergy;
+
+                molJ.potentialEnergy() += 0.5*potentialEnergy;
+
+                vector rIJ = molI.position() - molJ.position();
+
+                tensor virialContribution =
+                    (rsIsJ*fsIsJ)*(rsIsJ & rIJ)/rsIsJMagSq;
+
+                molI.rf() += virialContribution;
+
+                molJ.rf() += virialContribution;
+            }
+        }
+    }
+}
+
+
+inline bool Foam::polyatomicCloud::evaluatePotentialLimit
+(
+    polyatomic& molI,
+    polyatomic& molJ
+) const
+{
+    const pairPotentialList& pairPot = pot_.pairPotentials();
+
+    const pairPotential& electrostatic = pairPot.electrostatic();
+
+    label idI = molI.id();
+
+    label idJ = molJ.id();
+
+    const polyatomic::constantProperties& constPropI(constProps(idI));
+
+    const polyatomic::constantProperties& constPropJ(constProps(idJ));
+
+    forAll(constPropI.pairPotSites(), pI)
+    {
+        label sI = constPropI.pairPotSites()[pI];
+
+        label idsI = constPropI.sites()[sI].siteId();
+
+        forAll(constPropJ.pairPotSites(), pJ)
+        {
+            label sJ = constPropJ.pairPotSites()[pJ];
+
+            label idsJ = constPropJ.sites()[sJ].siteId();
+
+            vector rsIsJ =
+                molI.sitePositions()[sI] - molJ.sitePositions()[sJ];
+
+            scalar rsIsJMagSq = magSqr(rsIsJ);
+
+            if (pairPot.rCutSqr(idsI, idsJ, rsIsJMagSq))
+            {
+                scalar rsIsJMag = mag(rsIsJ);
+
+                // Guard against pairPot.energy being evaluated
+                // if rIJMag < SMALL. A floating point exception will
+                // happen otherwise.
+
+                if (rsIsJMag < SMALL)
+                {
+                    WarningIn("polyatomicCloud::removeHighEnergyOverlaps()")
+                        << "Molecule site pair closer than "
+                        << SMALL
+                        << ": mag separation = " << rsIsJMag
+                        << ". These may have been placed on top of each"
+                        << " other by a rounding error in mdInitialise in"
+                        << " parallel or a block filled with polyatomics"
+                        << " twice. Removing one of the polyatomics."
+                        << endl;
+
+                    return true;
+                }
+
+                // Guard against pairPot.energy being evaluated if rIJMag <
+                // rMin.  A tabulation lookup error will occur otherwise.
+
+                if (rsIsJMag < pairPot.rMin(idsI, idsJ))
+                {
+                    return true;
+                }
+
+                if
+                (
+                    mag(pairPot.energy(idsI, idsJ, rsIsJMag))
+                  > pot_.potentialEnergyLimit()
+                )
+                {
+                    return true;
+                };
+            }
+        }
+    }
+
+    forAll(constPropI.electrostaticSites(), pI)
+    {
+        label sI = constPropI.electrostaticSites()[pI];
+
+        forAll(constPropJ.electrostaticSites(), pJ)
+        {
+            label sJ = constPropJ.electrostaticSites()[pJ];
+
+            vector rsIsJ =
+                molI.sitePositions()[sI] - molJ.sitePositions()[sJ];
+
+            scalar rsIsJMagSq = magSqr(rsIsJ);
+
+            if (pairPot.rCutMaxSqr(rsIsJMagSq))
+            {
+                scalar rsIsJMag = mag(rsIsJ);
+
+                // Guard against pairPot.energy being evaluated
+                // if rIJMag < SMALL. A floating point exception will
+                // happen otherwise.
+
+                if (rsIsJMag < SMALL)
+                {
+                    WarningIn("polyatomicCloud::removeHighEnergyOverlaps()")
+                        << "Molecule site pair closer than "
+                        << SMALL
+                        << ": mag separation = " << rsIsJMag
+                        << ". These may have been placed on top of each"
+                        << " other by a rounding error in mdInitialise in"
+                        << " parallel or a block filled with polyatomics"
+                        << " twice. Removing one of the polyatomics."
+                        << endl;
+
+                    return true;
+                }
+
+                if (rsIsJMag < electrostatic.rMin())
+                {
+                    return true;
+                }
+
+                scalar chargeI = constPropI.sites()[sI].siteCharge();
+
+                scalar chargeJ = constPropJ.sites()[sJ].siteCharge();
+
+                if
+                (
+                    mag(chargeI*chargeJ*electrostatic.energy(rsIsJMag))
+                  > pot_.potentialEnergyLimit()
+                )
+                {
+                    return true;
+                };
+            }
+        }
+    }
+
+    return false;
+}
+
+
+inline Foam::vector Foam::polyatomicCloud::equipartitionLinearVelocity
+(
+    scalar temperature,
+    scalar mass
+)
+{
+    return sqrt(physicoChemical::k.value()*temperature/mass)*vector
+    (
+        rndGen_.GaussNormal(),
+        rndGen_.GaussNormal(),
+        rndGen_.GaussNormal()
+    );
+}
+
+
+inline Foam::vector Foam::polyatomicCloud::equipartitionAngularMomentum
+(
+    scalar temperature,
+    const polyatomic::constantProperties& cP
+)
+{
+    scalar sqrtKbT = sqrt(physicoChemical::k.value()*temperature);
+
+    if (cP.linearMolecule())
+    {
+        return sqrtKbT*vector
+        (
+            0.0,
+            sqrt(cP.momentOfInertia().yy())*rndGen_.GaussNormal(),
+            sqrt(cP.momentOfInertia().zz())*rndGen_.GaussNormal()
+        );
+    }
+    else
+    {
+        return sqrtKbT*vector
+        (
+            sqrt(cP.momentOfInertia().xx())*rndGen_.GaussNormal(),
+            sqrt(cP.momentOfInertia().yy())*rndGen_.GaussNormal(),
+            sqrt(cP.momentOfInertia().zz())*rndGen_.GaussNormal()
+        );
+    }
+}
+
+
+// * * * * * * * * * * * * * * * Member Functions  * * * * * * * * * * * * * //
+
+inline const Foam::polyMesh& Foam::polyatomicCloud::mesh() const
+{
+    return mesh_;
+}
+
+
+inline const Foam::potential& Foam::polyatomicCloud::pot() const
+{
+    return pot_;
+}
+
+
+inline const Foam::List<Foam::DynamicList<Foam::polyatomic*> >&
+    Foam::polyatomicCloud::cellOccupancy() const
+{
+    return cellOccupancy_;
+}
+
+
+inline const Foam::InteractionLists<Foam::polyatomic>&
+    Foam::polyatomicCloud::il() const
+{
+    return il_;
+}
+
+
+inline const Foam::List<Foam::polyatomic::constantProperties>
+    Foam::polyatomicCloud::constProps() const
+{
+    return constPropList_;
+}
+
+
+inline const Foam::polyatomic::constantProperties&
+    Foam::polyatomicCloud::constProps(label id) const
+{
+    return constPropList_[id];
+}
+
+
+inline Foam::Random& Foam::polyatomicCloud::rndGen()
+{
+    return rndGen_;
+}
+
+
+// ************************************************************************* //
diff --git a/src/lagrangian/molecularDynamics/molecule/mdTools/averageMDFields.H b/src/lagrangian/molecularDynamics/old/mdTools/averageMDFields.H
similarity index 100%
rename from src/lagrangian/molecularDynamics/molecule/mdTools/averageMDFields.H
rename to src/lagrangian/molecularDynamics/old/mdTools/averageMDFields.H
diff --git a/src/lagrangian/molecularDynamics/molecule/mdTools/calculateAutoCorrelationFunctions.H b/src/lagrangian/molecularDynamics/old/mdTools/calculateAutoCorrelationFunctions.H
similarity index 97%
rename from src/lagrangian/molecularDynamics/molecule/mdTools/calculateAutoCorrelationFunctions.H
rename to src/lagrangian/molecularDynamics/old/mdTools/calculateAutoCorrelationFunctions.H
index eda25d00f7..cd69f38f50 100644
--- a/src/lagrangian/molecularDynamics/molecule/mdTools/calculateAutoCorrelationFunctions.H
+++ b/src/lagrangian/molecularDynamics/old/mdTools/calculateAutoCorrelationFunctions.H
@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 2008-2010 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 2008-2011 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
diff --git a/src/lagrangian/molecularDynamics/molecule/mdTools/calculateMDFields.H b/src/lagrangian/molecularDynamics/old/mdTools/calculateMDFields.H
similarity index 100%
rename from src/lagrangian/molecularDynamics/molecule/mdTools/calculateMDFields.H
rename to src/lagrangian/molecularDynamics/old/mdTools/calculateMDFields.H
diff --git a/src/lagrangian/molecularDynamics/molecule/mdTools/calculateTransportProperties.H b/src/lagrangian/molecularDynamics/old/mdTools/calculateTransportProperties.H
similarity index 97%
rename from src/lagrangian/molecularDynamics/molecule/mdTools/calculateTransportProperties.H
rename to src/lagrangian/molecularDynamics/old/mdTools/calculateTransportProperties.H
index 0311e077dd..8b943ea5d0 100644
--- a/src/lagrangian/molecularDynamics/molecule/mdTools/calculateTransportProperties.H
+++ b/src/lagrangian/molecularDynamics/old/mdTools/calculateTransportProperties.H
@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 2008-2010 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 2008-2011 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
diff --git a/src/lagrangian/molecularDynamics/molecule/mdTools/createAutoCorrelationFunctions.H b/src/lagrangian/molecularDynamics/old/mdTools/createAutoCorrelationFunctions.H
similarity index 97%
rename from src/lagrangian/molecularDynamics/molecule/mdTools/createAutoCorrelationFunctions.H
rename to src/lagrangian/molecularDynamics/old/mdTools/createAutoCorrelationFunctions.H
index b257b7eece..597f8a1ed8 100644
--- a/src/lagrangian/molecularDynamics/molecule/mdTools/createAutoCorrelationFunctions.H
+++ b/src/lagrangian/molecularDynamics/old/mdTools/createAutoCorrelationFunctions.H
@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 2008-2010 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 2008-2011 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
diff --git a/src/lagrangian/molecularDynamics/molecule/mdTools/createMDFields.H b/src/lagrangian/molecularDynamics/old/mdTools/createMDFields.H
similarity index 100%
rename from src/lagrangian/molecularDynamics/molecule/mdTools/createMDFields.H
rename to src/lagrangian/molecularDynamics/old/mdTools/createMDFields.H
diff --git a/src/lagrangian/molecularDynamics/molecule/mdTools/createRefUnits.H b/src/lagrangian/molecularDynamics/old/mdTools/createRefUnits.H
similarity index 100%
rename from src/lagrangian/molecularDynamics/molecule/mdTools/createRefUnits.H
rename to src/lagrangian/molecularDynamics/old/mdTools/createRefUnits.H
diff --git a/src/lagrangian/molecularDynamics/molecule/mdTools/md.H b/src/lagrangian/molecularDynamics/old/mdTools/md.H
similarity index 100%
rename from src/lagrangian/molecularDynamics/molecule/mdTools/md.H
rename to src/lagrangian/molecularDynamics/old/mdTools/md.H
diff --git a/src/lagrangian/molecularDynamics/molecule/mdTools/meanMomentumEnergyAndNMols.H b/src/lagrangian/molecularDynamics/old/mdTools/meanMomentumEnergyAndNMols.H
similarity index 98%
rename from src/lagrangian/molecularDynamics/molecule/mdTools/meanMomentumEnergyAndNMols.H
rename to src/lagrangian/molecularDynamics/old/mdTools/meanMomentumEnergyAndNMols.H
index 77ecb7a657..8a673faa34 100644
--- a/src/lagrangian/molecularDynamics/molecule/mdTools/meanMomentumEnergyAndNMols.H
+++ b/src/lagrangian/molecularDynamics/old/mdTools/meanMomentumEnergyAndNMols.H
@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 2008-2010 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 2008-2011 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
diff --git a/src/lagrangian/molecularDynamics/molecule/mdTools/resetMDFields.H b/src/lagrangian/molecularDynamics/old/mdTools/resetMDFields.H
similarity index 100%
rename from src/lagrangian/molecularDynamics/molecule/mdTools/resetMDFields.H
rename to src/lagrangian/molecularDynamics/old/mdTools/resetMDFields.H
diff --git a/src/lagrangian/molecularDynamics/molecule/mdTools/temperatureAndPressure.H b/src/lagrangian/molecularDynamics/old/mdTools/temperatureAndPressure.H
similarity index 98%
rename from src/lagrangian/molecularDynamics/molecule/mdTools/temperatureAndPressure.H
rename to src/lagrangian/molecularDynamics/old/mdTools/temperatureAndPressure.H
index 247402bb9f..e38c15f68e 100644
--- a/src/lagrangian/molecularDynamics/molecule/mdTools/temperatureAndPressure.H
+++ b/src/lagrangian/molecularDynamics/old/mdTools/temperatureAndPressure.H
@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 2008-2010 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 2008-2011 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
diff --git a/src/lagrangian/molecularDynamics/molecule/mdTools/temperatureAndPressureVariables.H b/src/lagrangian/molecularDynamics/old/mdTools/temperatureAndPressureVariables.H
similarity index 96%
rename from src/lagrangian/molecularDynamics/molecule/mdTools/temperatureAndPressureVariables.H
rename to src/lagrangian/molecularDynamics/old/mdTools/temperatureAndPressureVariables.H
index 3c671ef11c..b974806ba8 100644
--- a/src/lagrangian/molecularDynamics/molecule/mdTools/temperatureAndPressureVariables.H
+++ b/src/lagrangian/molecularDynamics/old/mdTools/temperatureAndPressureVariables.H
@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 2008-2010 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 2008-2011 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
diff --git a/src/lagrangian/molecularDynamics/molecule/mdTools/temperatureEquilibration.H b/src/lagrangian/molecularDynamics/old/mdTools/temperatureEquilibration.H
similarity index 95%
rename from src/lagrangian/molecularDynamics/molecule/mdTools/temperatureEquilibration.H
rename to src/lagrangian/molecularDynamics/old/mdTools/temperatureEquilibration.H
index a4a9133749..12601a15f6 100644
--- a/src/lagrangian/molecularDynamics/molecule/mdTools/temperatureEquilibration.H
+++ b/src/lagrangian/molecularDynamics/old/mdTools/temperatureEquilibration.H
@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 2008-2010 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 2008-2011 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
diff --git a/src/lagrangian/molecularDynamics/molecularMeasurements/Make/files b/src/lagrangian/molecularDynamics/old/molecularMeasurements/Make/files
similarity index 100%
rename from src/lagrangian/molecularDynamics/molecularMeasurements/Make/files
rename to src/lagrangian/molecularDynamics/old/molecularMeasurements/Make/files
diff --git a/src/lagrangian/molecularDynamics/molecularMeasurements/Make/options b/src/lagrangian/molecularDynamics/old/molecularMeasurements/Make/options
similarity index 100%
rename from src/lagrangian/molecularDynamics/molecularMeasurements/Make/options
rename to src/lagrangian/molecularDynamics/old/molecularMeasurements/Make/options
diff --git a/src/lagrangian/molecularDynamics/molecularMeasurements/bufferedAccumulator/bufferedAccumulator.C b/src/lagrangian/molecularDynamics/old/molecularMeasurements/bufferedAccumulator/bufferedAccumulator.C
similarity index 98%
rename from src/lagrangian/molecularDynamics/molecularMeasurements/bufferedAccumulator/bufferedAccumulator.C
rename to src/lagrangian/molecularDynamics/old/molecularMeasurements/bufferedAccumulator/bufferedAccumulator.C
index 1d9c964d4f..bf09b8496c 100644
--- a/src/lagrangian/molecularDynamics/molecularMeasurements/bufferedAccumulator/bufferedAccumulator.C
+++ b/src/lagrangian/molecularDynamics/old/molecularMeasurements/bufferedAccumulator/bufferedAccumulator.C
@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 2008-2010 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 2008-2011 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
diff --git a/src/lagrangian/molecularDynamics/molecularMeasurements/bufferedAccumulator/bufferedAccumulator.H b/src/lagrangian/molecularDynamics/old/molecularMeasurements/bufferedAccumulator/bufferedAccumulator.H
similarity index 98%
rename from src/lagrangian/molecularDynamics/molecularMeasurements/bufferedAccumulator/bufferedAccumulator.H
rename to src/lagrangian/molecularDynamics/old/molecularMeasurements/bufferedAccumulator/bufferedAccumulator.H
index 0311ad3096..3d73e1e396 100644
--- a/src/lagrangian/molecularDynamics/molecularMeasurements/bufferedAccumulator/bufferedAccumulator.H
+++ b/src/lagrangian/molecularDynamics/old/molecularMeasurements/bufferedAccumulator/bufferedAccumulator.H
@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 2008-2010 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 2008-2011 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
diff --git a/src/lagrangian/molecularDynamics/molecularMeasurements/bufferedAccumulator/bufferedAccumulatorI.H b/src/lagrangian/molecularDynamics/old/molecularMeasurements/bufferedAccumulator/bufferedAccumulatorI.H
similarity index 97%
rename from src/lagrangian/molecularDynamics/molecularMeasurements/bufferedAccumulator/bufferedAccumulatorI.H
rename to src/lagrangian/molecularDynamics/old/molecularMeasurements/bufferedAccumulator/bufferedAccumulatorI.H
index 42d0cec63d..60277fe13c 100644
--- a/src/lagrangian/molecularDynamics/molecularMeasurements/bufferedAccumulator/bufferedAccumulatorI.H
+++ b/src/lagrangian/molecularDynamics/old/molecularMeasurements/bufferedAccumulator/bufferedAccumulatorI.H
@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 2008-2010 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 2008-2011 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
diff --git a/src/lagrangian/molecularDynamics/molecularMeasurements/bufferedAccumulator/bufferedAccumulatorIO.C b/src/lagrangian/molecularDynamics/old/molecularMeasurements/bufferedAccumulator/bufferedAccumulatorIO.C
similarity index 96%
rename from src/lagrangian/molecularDynamics/molecularMeasurements/bufferedAccumulator/bufferedAccumulatorIO.C
rename to src/lagrangian/molecularDynamics/old/molecularMeasurements/bufferedAccumulator/bufferedAccumulatorIO.C
index 1e891fcb36..983cf52eee 100644
--- a/src/lagrangian/molecularDynamics/molecularMeasurements/bufferedAccumulator/bufferedAccumulatorIO.C
+++ b/src/lagrangian/molecularDynamics/old/molecularMeasurements/bufferedAccumulator/bufferedAccumulatorIO.C
@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 2008-2010 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 2008-2011 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
diff --git a/src/lagrangian/molecularDynamics/molecularMeasurements/correlationFunction/correlationFunction.C b/src/lagrangian/molecularDynamics/old/molecularMeasurements/correlationFunction/correlationFunction.C
similarity index 98%
rename from src/lagrangian/molecularDynamics/molecularMeasurements/correlationFunction/correlationFunction.C
rename to src/lagrangian/molecularDynamics/old/molecularMeasurements/correlationFunction/correlationFunction.C
index 1eedef0e4c..262215aff8 100644
--- a/src/lagrangian/molecularDynamics/molecularMeasurements/correlationFunction/correlationFunction.C
+++ b/src/lagrangian/molecularDynamics/old/molecularMeasurements/correlationFunction/correlationFunction.C
@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 2008-2010 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 2008-2011 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
diff --git a/src/lagrangian/molecularDynamics/molecularMeasurements/correlationFunction/correlationFunction.H b/src/lagrangian/molecularDynamics/old/molecularMeasurements/correlationFunction/correlationFunction.H
similarity index 98%
rename from src/lagrangian/molecularDynamics/molecularMeasurements/correlationFunction/correlationFunction.H
rename to src/lagrangian/molecularDynamics/old/molecularMeasurements/correlationFunction/correlationFunction.H
index f0c26f9b1b..30dbc760a6 100644
--- a/src/lagrangian/molecularDynamics/molecularMeasurements/correlationFunction/correlationFunction.H
+++ b/src/lagrangian/molecularDynamics/old/molecularMeasurements/correlationFunction/correlationFunction.H
@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 2008-2010 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 2008-2011 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
diff --git a/src/lagrangian/molecularDynamics/molecularMeasurements/correlationFunction/correlationFunctionI.H b/src/lagrangian/molecularDynamics/old/molecularMeasurements/correlationFunction/correlationFunctionI.H
similarity index 96%
rename from src/lagrangian/molecularDynamics/molecularMeasurements/correlationFunction/correlationFunctionI.H
rename to src/lagrangian/molecularDynamics/old/molecularMeasurements/correlationFunction/correlationFunctionI.H
index 752facb6f9..f00930699b 100644
--- a/src/lagrangian/molecularDynamics/molecularMeasurements/correlationFunction/correlationFunctionI.H
+++ b/src/lagrangian/molecularDynamics/old/molecularMeasurements/correlationFunction/correlationFunctionI.H
@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 2008-2010 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 2008-2011 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
diff --git a/src/lagrangian/molecularDynamics/molecularMeasurements/correlationFunction/correlationFunctionIO.C b/src/lagrangian/molecularDynamics/old/molecularMeasurements/correlationFunction/correlationFunctionIO.C
similarity index 96%
rename from src/lagrangian/molecularDynamics/molecularMeasurements/correlationFunction/correlationFunctionIO.C
rename to src/lagrangian/molecularDynamics/old/molecularMeasurements/correlationFunction/correlationFunctionIO.C
index 48b2d74228..bc9639a08b 100644
--- a/src/lagrangian/molecularDynamics/molecularMeasurements/correlationFunction/correlationFunctionIO.C
+++ b/src/lagrangian/molecularDynamics/old/molecularMeasurements/correlationFunction/correlationFunctionIO.C
@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 2008-2010 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 2008-2011 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
diff --git a/src/lagrangian/molecularDynamics/molecularMeasurements/distribution/distribution.C b/src/lagrangian/molecularDynamics/old/molecularMeasurements/distribution/distribution.C
similarity index 99%
rename from src/lagrangian/molecularDynamics/molecularMeasurements/distribution/distribution.C
rename to src/lagrangian/molecularDynamics/old/molecularMeasurements/distribution/distribution.C
index 1110415d10..cfbf700645 100644
--- a/src/lagrangian/molecularDynamics/molecularMeasurements/distribution/distribution.C
+++ b/src/lagrangian/molecularDynamics/old/molecularMeasurements/distribution/distribution.C
@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 2008-2010 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 2008-2011 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
diff --git a/src/lagrangian/molecularDynamics/molecularMeasurements/distribution/distribution.H b/src/lagrangian/molecularDynamics/old/molecularMeasurements/distribution/distribution.H
similarity index 98%
rename from src/lagrangian/molecularDynamics/molecularMeasurements/distribution/distribution.H
rename to src/lagrangian/molecularDynamics/old/molecularMeasurements/distribution/distribution.H
index 02f347d170..22e5800d69 100644
--- a/src/lagrangian/molecularDynamics/molecularMeasurements/distribution/distribution.H
+++ b/src/lagrangian/molecularDynamics/old/molecularMeasurements/distribution/distribution.H
@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 2008-2010 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 2008-2011 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
diff --git a/src/lagrangian/molecularDynamics/molecularMeasurements/distribution/distributionI.H b/src/lagrangian/molecularDynamics/old/molecularMeasurements/distribution/distributionI.H
similarity index 95%
rename from src/lagrangian/molecularDynamics/molecularMeasurements/distribution/distributionI.H
rename to src/lagrangian/molecularDynamics/old/molecularMeasurements/distribution/distributionI.H
index 344567114b..215bb73ffa 100644
--- a/src/lagrangian/molecularDynamics/molecularMeasurements/distribution/distributionI.H
+++ b/src/lagrangian/molecularDynamics/old/molecularMeasurements/distribution/distributionI.H
@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 2008-2010 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 2008-2011 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
diff --git a/src/lagrangian/molecularDynamics/molecule/reducedUnits/reducedUnits.C b/src/lagrangian/molecularDynamics/old/reducedUnits/reducedUnits.C
similarity index 98%
rename from src/lagrangian/molecularDynamics/molecule/reducedUnits/reducedUnits.C
rename to src/lagrangian/molecularDynamics/old/reducedUnits/reducedUnits.C
index cdcb1d4a65..71cf429d86 100644
--- a/src/lagrangian/molecularDynamics/molecule/reducedUnits/reducedUnits.C
+++ b/src/lagrangian/molecularDynamics/old/reducedUnits/reducedUnits.C
@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 2008-2010 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 2008-2011 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
diff --git a/src/lagrangian/molecularDynamics/molecule/reducedUnits/reducedUnits.H b/src/lagrangian/molecularDynamics/old/reducedUnits/reducedUnits.H
similarity index 98%
rename from src/lagrangian/molecularDynamics/molecule/reducedUnits/reducedUnits.H
rename to src/lagrangian/molecularDynamics/old/reducedUnits/reducedUnits.H
index 9445ff64da..982934589d 100644
--- a/src/lagrangian/molecularDynamics/molecule/reducedUnits/reducedUnits.H
+++ b/src/lagrangian/molecularDynamics/old/reducedUnits/reducedUnits.H
@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 2008-2010 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 2008-2011 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
diff --git a/src/lagrangian/molecularDynamics/molecule/reducedUnits/reducedUnitsI.H b/src/lagrangian/molecularDynamics/old/reducedUnits/reducedUnitsI.H
similarity index 97%
rename from src/lagrangian/molecularDynamics/molecule/reducedUnits/reducedUnitsI.H
rename to src/lagrangian/molecularDynamics/old/reducedUnits/reducedUnitsI.H
index ec5fa23329..6652121430 100644
--- a/src/lagrangian/molecularDynamics/molecule/reducedUnits/reducedUnitsI.H
+++ b/src/lagrangian/molecularDynamics/old/reducedUnits/reducedUnitsI.H
@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 2008-2010 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 2008-2011 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
diff --git a/src/lagrangian/molecularDynamics/molecule/reducedUnits/reducedUnitsIO.C b/src/lagrangian/molecularDynamics/old/reducedUnits/reducedUnitsIO.C
similarity index 97%
rename from src/lagrangian/molecularDynamics/molecule/reducedUnits/reducedUnitsIO.C
rename to src/lagrangian/molecularDynamics/old/reducedUnits/reducedUnitsIO.C
index 6c7bd8f6f5..9aa818609b 100644
--- a/src/lagrangian/molecularDynamics/molecule/reducedUnits/reducedUnitsIO.C
+++ b/src/lagrangian/molecularDynamics/old/reducedUnits/reducedUnitsIO.C
@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 2008-2010 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 2008-2011 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
diff --git a/src/lagrangian/molecularDynamics/potential/electrostaticPotential/electrostaticPotential.C b/src/lagrangian/molecularDynamics/potential/electrostaticPotential/electrostaticPotential.C
index bbf72146e1..6589a0ab74 100644
--- a/src/lagrangian/molecularDynamics/potential/electrostaticPotential/electrostaticPotential.C
+++ b/src/lagrangian/molecularDynamics/potential/electrostaticPotential/electrostaticPotential.C
@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 2008-2010 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 2008-2011 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
diff --git a/src/lagrangian/molecularDynamics/potential/electrostaticPotential/electrostaticPotential.H b/src/lagrangian/molecularDynamics/potential/electrostaticPotential/electrostaticPotential.H
index 126a42d350..6df5c1d184 100644
--- a/src/lagrangian/molecularDynamics/potential/electrostaticPotential/electrostaticPotential.H
+++ b/src/lagrangian/molecularDynamics/potential/electrostaticPotential/electrostaticPotential.H
@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 2008-2010 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 2008-2011 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
diff --git a/src/lagrangian/molecularDynamics/potential/energyScalingFunction/basic/energyScalingFunction.C b/src/lagrangian/molecularDynamics/potential/energyScalingFunction/basic/energyScalingFunction.C
index 83777d3a94..394b82953c 100644
--- a/src/lagrangian/molecularDynamics/potential/energyScalingFunction/basic/energyScalingFunction.C
+++ b/src/lagrangian/molecularDynamics/potential/energyScalingFunction/basic/energyScalingFunction.C
@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 2008-2010 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 2008-2011 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
diff --git a/src/lagrangian/molecularDynamics/potential/energyScalingFunction/basic/energyScalingFunction.H b/src/lagrangian/molecularDynamics/potential/energyScalingFunction/basic/energyScalingFunction.H
index 29f8cc833b..3fc0746363 100644
--- a/src/lagrangian/molecularDynamics/potential/energyScalingFunction/basic/energyScalingFunction.H
+++ b/src/lagrangian/molecularDynamics/potential/energyScalingFunction/basic/energyScalingFunction.H
@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 2008-2010 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 2008-2011 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
diff --git a/src/lagrangian/molecularDynamics/potential/energyScalingFunction/basic/energyScalingFunctionNew.C b/src/lagrangian/molecularDynamics/potential/energyScalingFunction/basic/energyScalingFunctionNew.C
index 9c9b669ef5..acd844e24a 100644
--- a/src/lagrangian/molecularDynamics/potential/energyScalingFunction/basic/energyScalingFunctionNew.C
+++ b/src/lagrangian/molecularDynamics/potential/energyScalingFunction/basic/energyScalingFunctionNew.C
@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 2008-2010 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 2008-2011 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
diff --git a/src/lagrangian/molecularDynamics/potential/energyScalingFunction/derived/doubleSigmoid/doubleSigmoid.C b/src/lagrangian/molecularDynamics/potential/energyScalingFunction/derived/doubleSigmoid/doubleSigmoid.C
index 3fb9f9226b..cc0af81625 100644
--- a/src/lagrangian/molecularDynamics/potential/energyScalingFunction/derived/doubleSigmoid/doubleSigmoid.C
+++ b/src/lagrangian/molecularDynamics/potential/energyScalingFunction/derived/doubleSigmoid/doubleSigmoid.C
@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 2008-2010 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 2008-2011 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
diff --git a/src/lagrangian/molecularDynamics/potential/energyScalingFunction/derived/doubleSigmoid/doubleSigmoid.H b/src/lagrangian/molecularDynamics/potential/energyScalingFunction/derived/doubleSigmoid/doubleSigmoid.H
index c77c07a793..d9d620db73 100644
--- a/src/lagrangian/molecularDynamics/potential/energyScalingFunction/derived/doubleSigmoid/doubleSigmoid.H
+++ b/src/lagrangian/molecularDynamics/potential/energyScalingFunction/derived/doubleSigmoid/doubleSigmoid.H
@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 2008-2010 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 2008-2011 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
diff --git a/src/lagrangian/molecularDynamics/potential/energyScalingFunction/derived/noScaling/noScaling.C b/src/lagrangian/molecularDynamics/potential/energyScalingFunction/derived/noScaling/noScaling.C
index 057f32f686..14debf4963 100644
--- a/src/lagrangian/molecularDynamics/potential/energyScalingFunction/derived/noScaling/noScaling.C
+++ b/src/lagrangian/molecularDynamics/potential/energyScalingFunction/derived/noScaling/noScaling.C
@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 2008-2010 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 2008-2011 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
diff --git a/src/lagrangian/molecularDynamics/potential/energyScalingFunction/derived/noScaling/noScaling.H b/src/lagrangian/molecularDynamics/potential/energyScalingFunction/derived/noScaling/noScaling.H
index c266084c97..7347c092a8 100644
--- a/src/lagrangian/molecularDynamics/potential/energyScalingFunction/derived/noScaling/noScaling.H
+++ b/src/lagrangian/molecularDynamics/potential/energyScalingFunction/derived/noScaling/noScaling.H
@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 2008-2010 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 2008-2011 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
diff --git a/src/lagrangian/molecularDynamics/potential/energyScalingFunction/derived/shifted/shifted.C b/src/lagrangian/molecularDynamics/potential/energyScalingFunction/derived/shifted/shifted.C
index 319d18392b..b2f32591f5 100644
--- a/src/lagrangian/molecularDynamics/potential/energyScalingFunction/derived/shifted/shifted.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) 2008-2010 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 2008-2011 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
diff --git a/src/lagrangian/molecularDynamics/potential/energyScalingFunction/derived/shifted/shifted.H b/src/lagrangian/molecularDynamics/potential/energyScalingFunction/derived/shifted/shifted.H
index e49b0fce3f..d8ad9e0cd0 100644
--- a/src/lagrangian/molecularDynamics/potential/energyScalingFunction/derived/shifted/shifted.H
+++ b/src/lagrangian/molecularDynamics/potential/energyScalingFunction/derived/shifted/shifted.H
@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 2008-2010 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 2008-2011 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
diff --git a/src/lagrangian/molecularDynamics/potential/energyScalingFunction/derived/shiftedForce/shiftedForce.C b/src/lagrangian/molecularDynamics/potential/energyScalingFunction/derived/shiftedForce/shiftedForce.C
index a4bd4a5291..343372d8ec 100644
--- a/src/lagrangian/molecularDynamics/potential/energyScalingFunction/derived/shiftedForce/shiftedForce.C
+++ b/src/lagrangian/molecularDynamics/potential/energyScalingFunction/derived/shiftedForce/shiftedForce.C
@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 2008-2010 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 2008-2011 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
diff --git a/src/lagrangian/molecularDynamics/potential/energyScalingFunction/derived/shiftedForce/shiftedForce.H b/src/lagrangian/molecularDynamics/potential/energyScalingFunction/derived/shiftedForce/shiftedForce.H
index 8fcc2be772..052bdce21c 100644
--- a/src/lagrangian/molecularDynamics/potential/energyScalingFunction/derived/shiftedForce/shiftedForce.H
+++ b/src/lagrangian/molecularDynamics/potential/energyScalingFunction/derived/shiftedForce/shiftedForce.H
@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 2008-2010 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 2008-2011 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
diff --git a/src/lagrangian/molecularDynamics/potential/energyScalingFunction/derived/sigmoid/sigmoid.C b/src/lagrangian/molecularDynamics/potential/energyScalingFunction/derived/sigmoid/sigmoid.C
index c0f006e46c..43cb75aa99 100644
--- a/src/lagrangian/molecularDynamics/potential/energyScalingFunction/derived/sigmoid/sigmoid.C
+++ b/src/lagrangian/molecularDynamics/potential/energyScalingFunction/derived/sigmoid/sigmoid.C
@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 2008-2010 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 2008-2011 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
diff --git a/src/lagrangian/molecularDynamics/potential/energyScalingFunction/derived/sigmoid/sigmoid.H b/src/lagrangian/molecularDynamics/potential/energyScalingFunction/derived/sigmoid/sigmoid.H
index 83868e491e..15d64e7fdf 100644
--- a/src/lagrangian/molecularDynamics/potential/energyScalingFunction/derived/sigmoid/sigmoid.H
+++ b/src/lagrangian/molecularDynamics/potential/energyScalingFunction/derived/sigmoid/sigmoid.H
@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 2008-2010 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 2008-2011 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
diff --git a/src/lagrangian/molecularDynamics/potential/pairPotential/basic/pairPotential.C b/src/lagrangian/molecularDynamics/potential/pairPotential/basic/pairPotential.C
index 2a8bf6bdbe..a18006f34d 100644
--- a/src/lagrangian/molecularDynamics/potential/pairPotential/basic/pairPotential.C
+++ b/src/lagrangian/molecularDynamics/potential/pairPotential/basic/pairPotential.C
@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 2008-2010 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 2008-2011 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
diff --git a/src/lagrangian/molecularDynamics/potential/pairPotential/basic/pairPotential.H b/src/lagrangian/molecularDynamics/potential/pairPotential/basic/pairPotential.H
index e89736e035..4b25ca4a93 100644
--- a/src/lagrangian/molecularDynamics/potential/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) 2008-2010 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 2008-2011 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
diff --git a/src/lagrangian/molecularDynamics/potential/pairPotential/basic/pairPotentialI.H b/src/lagrangian/molecularDynamics/potential/pairPotential/basic/pairPotentialI.H
index 1b1db7c8ca..9d4bf8c4cd 100644
--- a/src/lagrangian/molecularDynamics/potential/pairPotential/basic/pairPotentialI.H
+++ b/src/lagrangian/molecularDynamics/potential/pairPotential/basic/pairPotentialI.H
@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 2008-2010 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 2008-2011 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
diff --git a/src/lagrangian/molecularDynamics/potential/pairPotential/basic/pairPotentialIO.C b/src/lagrangian/molecularDynamics/potential/pairPotential/basic/pairPotentialIO.C
index 3d74e6c310..a3876dc2be 100644
--- a/src/lagrangian/molecularDynamics/potential/pairPotential/basic/pairPotentialIO.C
+++ 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) 2008-2010 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 2008-2011 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
diff --git a/src/lagrangian/molecularDynamics/potential/pairPotential/basic/pairPotentialNew.C b/src/lagrangian/molecularDynamics/potential/pairPotential/basic/pairPotentialNew.C
index 981eb655ff..1703a06018 100644
--- a/src/lagrangian/molecularDynamics/potential/pairPotential/basic/pairPotentialNew.C
+++ b/src/lagrangian/molecularDynamics/potential/pairPotential/basic/pairPotentialNew.C
@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 2008-2010 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 2008-2011 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
diff --git a/src/lagrangian/molecularDynamics/potential/pairPotential/derived/azizChen/azizChen.C b/src/lagrangian/molecularDynamics/potential/pairPotential/derived/azizChen/azizChen.C
index c5b40128ce..f93e3b3756 100644
--- a/src/lagrangian/molecularDynamics/potential/pairPotential/derived/azizChen/azizChen.C
+++ b/src/lagrangian/molecularDynamics/potential/pairPotential/derived/azizChen/azizChen.C
@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 2008-2010 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 2008-2011 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
diff --git a/src/lagrangian/molecularDynamics/potential/pairPotential/derived/coulomb/coulomb.C b/src/lagrangian/molecularDynamics/potential/pairPotential/derived/coulomb/coulomb.C
index c3effe0639..cd59601ee6 100644
--- a/src/lagrangian/molecularDynamics/potential/pairPotential/derived/coulomb/coulomb.C
+++ b/src/lagrangian/molecularDynamics/potential/pairPotential/derived/coulomb/coulomb.C
@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 2008-2010 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 2008-2011 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
diff --git a/src/lagrangian/molecularDynamics/potential/pairPotential/derived/coulomb/coulomb.H b/src/lagrangian/molecularDynamics/potential/pairPotential/derived/coulomb/coulomb.H
index 08eb5c5596..bca4726188 100644
--- a/src/lagrangian/molecularDynamics/potential/pairPotential/derived/coulomb/coulomb.H
+++ b/src/lagrangian/molecularDynamics/potential/pairPotential/derived/coulomb/coulomb.H
@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 2008-2010 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 2008-2011 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
diff --git a/src/lagrangian/molecularDynamics/potential/pairPotential/derived/dampedCoulomb/dampedCoulomb.C b/src/lagrangian/molecularDynamics/potential/pairPotential/derived/dampedCoulomb/dampedCoulomb.C
index 82d073fc2e..f37910aec2 100644
--- a/src/lagrangian/molecularDynamics/potential/pairPotential/derived/dampedCoulomb/dampedCoulomb.C
+++ b/src/lagrangian/molecularDynamics/potential/pairPotential/derived/dampedCoulomb/dampedCoulomb.C
@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 2008-2010 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 2008-2011 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
diff --git a/src/lagrangian/molecularDynamics/potential/pairPotential/derived/dampedCoulomb/dampedCoulomb.H b/src/lagrangian/molecularDynamics/potential/pairPotential/derived/dampedCoulomb/dampedCoulomb.H
index a6e66c1aa2..88fbdc8902 100644
--- a/src/lagrangian/molecularDynamics/potential/pairPotential/derived/dampedCoulomb/dampedCoulomb.H
+++ b/src/lagrangian/molecularDynamics/potential/pairPotential/derived/dampedCoulomb/dampedCoulomb.H
@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 2008-2010 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 2008-2011 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
diff --git a/src/lagrangian/molecularDynamics/potential/pairPotential/derived/exponentialRepulsion/exponentialRepulsion.C b/src/lagrangian/molecularDynamics/potential/pairPotential/derived/exponentialRepulsion/exponentialRepulsion.C
index 5342b0cfad..bd2eb772e0 100644
--- a/src/lagrangian/molecularDynamics/potential/pairPotential/derived/exponentialRepulsion/exponentialRepulsion.C
+++ b/src/lagrangian/molecularDynamics/potential/pairPotential/derived/exponentialRepulsion/exponentialRepulsion.C
@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 2008-2010 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 2008-2011 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
diff --git a/src/lagrangian/molecularDynamics/potential/pairPotential/derived/exponentialRepulsion/exponentialRepulsion.H b/src/lagrangian/molecularDynamics/potential/pairPotential/derived/exponentialRepulsion/exponentialRepulsion.H
index fc0c9b0d5c..80b6cec984 100644
--- a/src/lagrangian/molecularDynamics/potential/pairPotential/derived/exponentialRepulsion/exponentialRepulsion.H
+++ b/src/lagrangian/molecularDynamics/potential/pairPotential/derived/exponentialRepulsion/exponentialRepulsion.H
@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 2008-2010 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 2008-2011 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
diff --git a/src/lagrangian/molecularDynamics/potential/pairPotential/derived/lennardJones/lennardJones.C b/src/lagrangian/molecularDynamics/potential/pairPotential/derived/lennardJones/lennardJones.C
index 866b8e5bf1..2acb6db9c7 100644
--- a/src/lagrangian/molecularDynamics/potential/pairPotential/derived/lennardJones/lennardJones.C
+++ b/src/lagrangian/molecularDynamics/potential/pairPotential/derived/lennardJones/lennardJones.C
@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 2008-2010 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 2008-2011 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
diff --git a/src/lagrangian/molecularDynamics/potential/pairPotential/derived/lennardJones/lennardJones.H b/src/lagrangian/molecularDynamics/potential/pairPotential/derived/lennardJones/lennardJones.H
index 03c85d2184..3df8a25e01 100644
--- a/src/lagrangian/molecularDynamics/potential/pairPotential/derived/lennardJones/lennardJones.H
+++ b/src/lagrangian/molecularDynamics/potential/pairPotential/derived/lennardJones/lennardJones.H
@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 2008-2010 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 2008-2011 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
diff --git a/src/lagrangian/molecularDynamics/potential/pairPotential/derived/maitlandSmith/maitlandSmith.C b/src/lagrangian/molecularDynamics/potential/pairPotential/derived/maitlandSmith/maitlandSmith.C
index 51cc941b77..f6f109fbfd 100644
--- a/src/lagrangian/molecularDynamics/potential/pairPotential/derived/maitlandSmith/maitlandSmith.C
+++ b/src/lagrangian/molecularDynamics/potential/pairPotential/derived/maitlandSmith/maitlandSmith.C
@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 2008-2010 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 2008-2011 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
diff --git a/src/lagrangian/molecularDynamics/potential/pairPotential/derived/noInteraction/noInteraction.C b/src/lagrangian/molecularDynamics/potential/pairPotential/derived/noInteraction/noInteraction.C
index 1994393d23..42eec34d85 100644
--- a/src/lagrangian/molecularDynamics/potential/pairPotential/derived/noInteraction/noInteraction.C
+++ b/src/lagrangian/molecularDynamics/potential/pairPotential/derived/noInteraction/noInteraction.C
@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 2008-2010 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 2008-2011 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
diff --git a/src/lagrangian/molecularDynamics/potential/pairPotential/derived/noInteraction/noInteraction.H b/src/lagrangian/molecularDynamics/potential/pairPotential/derived/noInteraction/noInteraction.H
index 162a08c2db..ce8a6b3ac9 100644
--- a/src/lagrangian/molecularDynamics/potential/pairPotential/derived/noInteraction/noInteraction.H
+++ b/src/lagrangian/molecularDynamics/potential/pairPotential/derived/noInteraction/noInteraction.H
@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 2008-2010 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 2008-2011 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
diff --git a/src/lagrangian/molecularDynamics/potential/pairPotential/pairPotentialList/pairPotentialList.C b/src/lagrangian/molecularDynamics/potential/pairPotential/pairPotentialList/pairPotentialList.C
index 4b4a0ad57c..d5dcc184ea 100644
--- a/src/lagrangian/molecularDynamics/potential/pairPotential/pairPotentialList/pairPotentialList.C
+++ b/src/lagrangian/molecularDynamics/potential/pairPotential/pairPotentialList/pairPotentialList.C
@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 2008-2010 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 2008-2011 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
diff --git a/src/lagrangian/molecularDynamics/potential/pairPotential/pairPotentialList/pairPotentialList.H b/src/lagrangian/molecularDynamics/potential/pairPotential/pairPotentialList/pairPotentialList.H
index db2f6e965c..09c9f0ee4f 100644
--- a/src/lagrangian/molecularDynamics/potential/pairPotential/pairPotentialList/pairPotentialList.H
+++ b/src/lagrangian/molecularDynamics/potential/pairPotential/pairPotentialList/pairPotentialList.H
@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 2008-2010 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 2008-2011 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
diff --git a/src/lagrangian/molecularDynamics/potential/pairPotential/pairPotentialList/pairPotentialListI.H b/src/lagrangian/molecularDynamics/potential/pairPotential/pairPotentialList/pairPotentialListI.H
index 8657e9cfc8..91cfb897a1 100644
--- a/src/lagrangian/molecularDynamics/potential/pairPotential/pairPotentialList/pairPotentialListI.H
+++ b/src/lagrangian/molecularDynamics/potential/pairPotential/pairPotentialList/pairPotentialListI.H
@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 2008-2010 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 2008-2011 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
diff --git a/src/lagrangian/molecularDynamics/potential/potential/potential.C b/src/lagrangian/molecularDynamics/potential/potential/potential.C
index b34b6e38cc..4d1f0df703 100644
--- a/src/lagrangian/molecularDynamics/potential/potential/potential.C
+++ b/src/lagrangian/molecularDynamics/potential/potential/potential.C
@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 2008-2010 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 2008-2011 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
diff --git a/src/lagrangian/molecularDynamics/potential/potential/potential.H b/src/lagrangian/molecularDynamics/potential/potential/potential.H
index 2aaebf25a5..8f24458558 100644
--- a/src/lagrangian/molecularDynamics/potential/potential/potential.H
+++ b/src/lagrangian/molecularDynamics/potential/potential/potential.H
@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 2008-2010 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 2008-2011 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
diff --git a/src/lagrangian/molecularDynamics/potential/potential/potentialI.H b/src/lagrangian/molecularDynamics/potential/potential/potentialI.H
index 6f2a0f2d06..79fadb00d0 100644
--- a/src/lagrangian/molecularDynamics/potential/potential/potentialI.H
+++ b/src/lagrangian/molecularDynamics/potential/potential/potentialI.H
@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 2008-2010 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 2008-2011 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
diff --git a/src/lagrangian/molecularDynamics/potential/tetherPotential/basic/tetherPotential.C b/src/lagrangian/molecularDynamics/potential/tetherPotential/basic/tetherPotential.C
index 8222274f20..9594152e64 100644
--- a/src/lagrangian/molecularDynamics/potential/tetherPotential/basic/tetherPotential.C
+++ b/src/lagrangian/molecularDynamics/potential/tetherPotential/basic/tetherPotential.C
@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 2008-2010 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 2008-2011 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
diff --git a/src/lagrangian/molecularDynamics/potential/tetherPotential/basic/tetherPotential.H b/src/lagrangian/molecularDynamics/potential/tetherPotential/basic/tetherPotential.H
index 78ab0aa927..a415fce717 100644
--- a/src/lagrangian/molecularDynamics/potential/tetherPotential/basic/tetherPotential.H
+++ b/src/lagrangian/molecularDynamics/potential/tetherPotential/basic/tetherPotential.H
@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 2008-2010 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 2008-2011 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
diff --git a/src/lagrangian/molecularDynamics/potential/tetherPotential/basic/tetherPotentialNew.C b/src/lagrangian/molecularDynamics/potential/tetherPotential/basic/tetherPotentialNew.C
index 35cdef11d7..16ed7674af 100644
--- a/src/lagrangian/molecularDynamics/potential/tetherPotential/basic/tetherPotentialNew.C
+++ b/src/lagrangian/molecularDynamics/potential/tetherPotential/basic/tetherPotentialNew.C
@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 2008-2010 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 2008-2011 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
diff --git a/src/lagrangian/molecularDynamics/potential/tetherPotential/derived/harmonicSpring/harmonicSpring.C b/src/lagrangian/molecularDynamics/potential/tetherPotential/derived/harmonicSpring/harmonicSpring.C
index bad1af9a9b..0b5670a7e5 100644
--- a/src/lagrangian/molecularDynamics/potential/tetherPotential/derived/harmonicSpring/harmonicSpring.C
+++ b/src/lagrangian/molecularDynamics/potential/tetherPotential/derived/harmonicSpring/harmonicSpring.C
@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 2008-2010 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 2008-2011 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
diff --git a/src/lagrangian/molecularDynamics/potential/tetherPotential/derived/harmonicSpring/harmonicSpring.H b/src/lagrangian/molecularDynamics/potential/tetherPotential/derived/harmonicSpring/harmonicSpring.H
index 4e5b78de09..12d4d44bf4 100644
--- a/src/lagrangian/molecularDynamics/potential/tetherPotential/derived/harmonicSpring/harmonicSpring.H
+++ b/src/lagrangian/molecularDynamics/potential/tetherPotential/derived/harmonicSpring/harmonicSpring.H
@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 2008-2010 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 2008-2011 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
diff --git a/src/lagrangian/molecularDynamics/potential/tetherPotential/derived/pitchForkRing/pitchForkRing.C b/src/lagrangian/molecularDynamics/potential/tetherPotential/derived/pitchForkRing/pitchForkRing.C
index 66a2e7feef..ab75d048b1 100644
--- a/src/lagrangian/molecularDynamics/potential/tetherPotential/derived/pitchForkRing/pitchForkRing.C
+++ b/src/lagrangian/molecularDynamics/potential/tetherPotential/derived/pitchForkRing/pitchForkRing.C
@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 2008-2010 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 2008-2011 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
diff --git a/src/lagrangian/molecularDynamics/potential/tetherPotential/derived/pitchForkRing/pitchForkRing.H b/src/lagrangian/molecularDynamics/potential/tetherPotential/derived/pitchForkRing/pitchForkRing.H
index 52bb066758..ed881333bd 100644
--- a/src/lagrangian/molecularDynamics/potential/tetherPotential/derived/pitchForkRing/pitchForkRing.H
+++ b/src/lagrangian/molecularDynamics/potential/tetherPotential/derived/pitchForkRing/pitchForkRing.H
@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 2008-2010 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 2008-2011 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
diff --git a/src/lagrangian/molecularDynamics/potential/tetherPotential/derived/restrainedHarmonicSpring/restrainedHarmonicSpring.C b/src/lagrangian/molecularDynamics/potential/tetherPotential/derived/restrainedHarmonicSpring/restrainedHarmonicSpring.C
index ece3aff2aa..e56670b93f 100644
--- a/src/lagrangian/molecularDynamics/potential/tetherPotential/derived/restrainedHarmonicSpring/restrainedHarmonicSpring.C
+++ b/src/lagrangian/molecularDynamics/potential/tetherPotential/derived/restrainedHarmonicSpring/restrainedHarmonicSpring.C
@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 2008-2010 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 2008-2011 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
diff --git a/src/lagrangian/molecularDynamics/potential/tetherPotential/derived/restrainedHarmonicSpring/restrainedHarmonicSpring.H b/src/lagrangian/molecularDynamics/potential/tetherPotential/derived/restrainedHarmonicSpring/restrainedHarmonicSpring.H
index ec4a8c8c12..30d96e6691 100644
--- a/src/lagrangian/molecularDynamics/potential/tetherPotential/derived/restrainedHarmonicSpring/restrainedHarmonicSpring.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) 2008-2010 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 2008-2011 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
diff --git a/src/lagrangian/molecularDynamics/potential/tetherPotential/tetherPotentialList/tetherPotentialList.C b/src/lagrangian/molecularDynamics/potential/tetherPotential/tetherPotentialList/tetherPotentialList.C
index 4a25f36f97..016a183cf7 100644
--- a/src/lagrangian/molecularDynamics/potential/tetherPotential/tetherPotentialList/tetherPotentialList.C
+++ b/src/lagrangian/molecularDynamics/potential/tetherPotential/tetherPotentialList/tetherPotentialList.C
@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 2008-2010 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 2008-2011 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
diff --git a/src/lagrangian/molecularDynamics/potential/tetherPotential/tetherPotentialList/tetherPotentialList.H b/src/lagrangian/molecularDynamics/potential/tetherPotential/tetherPotentialList/tetherPotentialList.H
index d862824f77..c26b3d8673 100644
--- a/src/lagrangian/molecularDynamics/potential/tetherPotential/tetherPotentialList/tetherPotentialList.H
+++ b/src/lagrangian/molecularDynamics/potential/tetherPotential/tetherPotentialList/tetherPotentialList.H
@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 2008-2010 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 2008-2011 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
diff --git a/src/lagrangian/molecularDynamics/potential/tetherPotential/tetherPotentialList/tetherPotentialListI.H b/src/lagrangian/molecularDynamics/potential/tetherPotential/tetherPotentialList/tetherPotentialListI.H
index e80c1a1dc4..d541fed24a 100644
--- a/src/lagrangian/molecularDynamics/potential/tetherPotential/tetherPotentialList/tetherPotentialListI.H
+++ b/src/lagrangian/molecularDynamics/potential/tetherPotential/tetherPotentialList/tetherPotentialListI.H
@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 2008-2010 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 2008-2011 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
diff --git a/src/mesh/conformalVoronoiMesh/conformalVoronoiMesh/conformalVoronoiMesh.H b/src/mesh/conformalVoronoiMesh/conformalVoronoiMesh/conformalVoronoiMesh.H
index f4b3896c01..85d168e9f2 100644
--- a/src/mesh/conformalVoronoiMesh/conformalVoronoiMesh/conformalVoronoiMesh.H
+++ b/src/mesh/conformalVoronoiMesh/conformalVoronoiMesh/conformalVoronoiMesh.H
@@ -67,7 +67,6 @@ SourceFiles
 #include "wallPolyPatch.H"
 #include "processorPolyPatch.H"
 #include "zeroGradientFvPatchFields.H"
-#include "globalIndex.H"
 
 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
@@ -780,8 +779,7 @@ private:
         void indexDualVertices
         (
             pointField& pts,
-            PackedBoolList& boundaryPts,
-            const globalIndex& globalParallelPointIndices
+            PackedBoolList& boundaryPts
         );
 
         //- Re-index all of the the Delaunay cells
diff --git a/src/mesh/conformalVoronoiMesh/conformalVoronoiMesh/conformalVoronoiMeshCalcDualMesh.C b/src/mesh/conformalVoronoiMesh/conformalVoronoiMesh/conformalVoronoiMeshCalcDualMesh.C
index 24637656d1..091b096136 100644
--- a/src/mesh/conformalVoronoiMesh/conformalVoronoiMesh/conformalVoronoiMeshCalcDualMesh.C
+++ b/src/mesh/conformalVoronoiMesh/conformalVoronoiMesh/conformalVoronoiMeshCalcDualMesh.C
@@ -58,90 +58,73 @@ void Foam::conformalVoronoiMesh::calcDualMesh
         ++cit
     )
     {
+        if
+        (
+               !cit->vertex(0)->real()
+            || !cit->vertex(1)->real()
+            || !cit->vertex(2)->real()
+            || !cit->vertex(3)->real()
+        )
+        {
+            cit->filterCount() = 100;
+        }
+        else
+        {
             cit->filterCount() = 0;
+        }
     }
 
-    // for
-    // (
-    //     Delaunay::Finite_cells_iterator cit = finite_cells_begin();
-    //     cit != finite_cells_end();
-    //     ++cit
-    // )
-    // {
-    //     if
-    //     (
-    //            !cit->vertex(0)->real()
-    //         || !cit->vertex(1)->real()
-    //         || !cit->vertex(2)->real()
-    //         || !cit->vertex(3)->real()
-    //     )
-    //     {
-    //         cit->filterCount() = 100;
-    //     }
-    //     else
-    //     {
-    //         cit->filterCount() = 0;
-    //     }
-    // }
+    for
+    (
+        Delaunay::Finite_vertices_iterator vit = finite_vertices_begin();
+        vit != finite_vertices_end();
+        vit++
+    )
+    {
+        std::list<Cell_handle> cells;
+        incident_cells(vit, std::back_inserter(cells));
 
-    // for
-    // (
-    //     Delaunay::Finite_vertices_iterator vit = finite_vertices_begin();
-    //     vit != finite_vertices_end();
-    //     vit++
-    // )
-    // {
-    //     std::list<Cell_handle> cells;
-    //     incident_cells(vit, std::back_inserter(cells));
+        bool hasProcPt = false;
 
-    //     bool hasProcPt = false;
+        for
+        (
+            std::list<Cell_handle>::iterator cit=cells.begin();
+            cit != cells.end();
+            ++cit
+        )
+        {
+            if
+            (
+                !(*cit)->vertex(0)->real()
+             || !(*cit)->vertex(1)->real()
+             || !(*cit)->vertex(2)->real()
+             || !(*cit)->vertex(3)->real()
+            )
+            {
+                hasProcPt = true;
 
-    //     for
-    //     (
-    //         std::list<Cell_handle>::iterator cit=cells.begin();
-    //         cit != cells.end();
-    //         ++cit
-    //     )
-    //     {
-    //         if
-    //         (
-    //             !(*cit)->vertex(0)->real()
-    //          || !(*cit)->vertex(1)->real()
-    //          || !(*cit)->vertex(2)->real()
-    //          || !(*cit)->vertex(3)->real()
-    //         )
-    //         {
-    //             hasProcPt = true;
+                break;
+            }
+        }
 
-    //             break;
-    //         }
-    //     }
-
-    //     if (hasProcPt)
-    //     {
-    //         for
-    //         (
-    //             std::list<Cell_handle>::iterator cit=cells.begin();
-    //             cit != cells.end();
-    //             ++cit
-    //         )
-    //         {
-    //             (*cit)->filterCount() = 100;
-    //         }
-    //     }
-    // }
+        if (hasProcPt)
+        {
+            for
+            (
+                std::list<Cell_handle>::iterator cit=cells.begin();
+                cit != cells.end();
+                ++cit
+            )
+            {
+                (*cit)->filterCount() = 100;
+            }
+        }
+    }
 
 
     PackedBoolList boundaryPts(number_of_cells(), false);
 
-    globalIndex globalParallelPointIndices(number_of_cells());
-
-    indexDualVertices
-    (
-        points,
-        boundaryPts,
-        globalParallelPointIndices
-    );
+    indexDualVertices(points, boundaryPts);
 
     {
         // Ideally requires a no-risk face filtering to get rid of zero area
@@ -199,12 +182,7 @@ void Foam::conformalVoronoiMesh::calcDualMesh
                 // Reindexing the Delaunay cells and regenerating the
                 // points resets the mesh to the starting condition.
 
-                indexDualVertices
-                (
-                    points,
-                    boundaryPts,
-                    globalParallelPointIndices
-                );
+                indexDualVertices(points, boundaryPts);
 
                 {
                     Info<< nl << "Merging close points" << endl;
@@ -1551,65 +1529,65 @@ Foam::labelHashSet Foam::conformalVoronoiMesh::checkPolyMeshQuality
 
     List<polyPatch*> patches(patchStarts.size());
 
-    // label nValidPatches = 0;
-
-    // forAll(patches, p)
-    // {
-    //     if (patchTypes[p] == processorPolyPatch::typeName)
-    //     {
-    //         // Do not create empty processor patches
-
-    //         if (patchSizes[p] > 0)
-    //         {
-    //             patches[nValidPatches] = new processorPolyPatch
-    //             (
-    //                 patchNames[p],
-    //                 patchSizes[p],
-    //                 patchStarts[p],
-    //                 nValidPatches,
-    //                 pMesh.boundaryMesh(),
-    //                 Pstream::myProcNo(),
-    //                 procNeighbours[p]
-    //             );
-
-    //             nValidPatches++;
-    //         }
-    //     }
-    //     else
-    //     {
-    //         patches[nValidPatches] = polyPatch::New
-    //         (
-    //             patchTypes[p],
-    //             patchNames[p],
-    //             patchSizes[p],
-    //             patchStarts[p],
-    //             nValidPatches,
-    //             pMesh.boundaryMesh()
-    //         ).ptr();
-
-    //         nValidPatches++;
-    //     }
-    // }
-
-    // patches.setSize(nValidPatches);
-
-    // pMesh.addPatches(patches);
-
-    Info<< "ADDPATCHES NOT IN PARALLEL" << endl;
+    label nValidPatches = 0;
 
     forAll(patches, p)
     {
-        patches[p] = new polyPatch
-        (
-            patchNames[p],
-            patchSizes[p],
-            patchStarts[p],
-            p,
-            pMesh.boundaryMesh()
-        );
+        if (patchTypes[p] == processorPolyPatch::typeName)
+        {
+            // Do not create empty processor patches
+
+            if (patchSizes[p] > 0)
+            {
+                patches[nValidPatches] = new processorPolyPatch
+                (
+                    patchNames[p],
+                    patchSizes[p],
+                    patchStarts[p],
+                    nValidPatches,
+                    pMesh.boundaryMesh(),
+                    Pstream::myProcNo(),
+                    procNeighbours[p]
+                );
+
+                nValidPatches++;
+            }
+        }
+        else
+        {
+            patches[nValidPatches] = polyPatch::New
+            (
+                patchTypes[p],
+                patchNames[p],
+                patchSizes[p],
+                patchStarts[p],
+                nValidPatches,
+                pMesh.boundaryMesh()
+            ).ptr();
+
+            nValidPatches++;
+        }
     }
 
-    pMesh.addPatches(patches, false);
+    patches.setSize(nValidPatches);
+
+    pMesh.addPatches(patches);
+
+    // Info<< "ADDPATCHES NOT IN PARALLEL" << endl;
+
+    // forAll(patches, p)
+    // {
+    //     patches[p] = new polyPatch
+    //     (
+    //         patchNames[p],
+    //         patchSizes[p],
+    //         patchStarts[p],
+    //         p,
+    //         pMesh.boundaryMesh()
+    //     );
+    // }
+
+    // pMesh.addPatches(patches, false);
 
     // pMesh.overrideCellCentres(cellCentres);
 
@@ -1807,8 +1785,7 @@ Foam::labelHashSet Foam::conformalVoronoiMesh::checkPolyMeshQuality
 void Foam::conformalVoronoiMesh::indexDualVertices
 (
     pointField& pts,
-    PackedBoolList& boundaryPts,
-    const globalIndex& globalParallelPointIndices
+    PackedBoolList& boundaryPts
 )
 {
     // Indexing Delaunay cells, which are the dual vertices
@@ -1821,16 +1798,6 @@ void Foam::conformalVoronoiMesh::indexDualVertices
 
     boundaryPts = false;
 
-    OFstream tetStr
-    (
-        runTime_.path()
-       /"processor_"
-      + name(Pstream::myProcNo())
-      + "_parallelTets.obj"
-    );
-
-    label pTetI = 0;
-
     for
     (
         Delaunay::Finite_cells_iterator cit = finite_cells_begin();
@@ -1840,35 +1807,23 @@ void Foam::conformalVoronoiMesh::indexDualVertices
     {
         if (cit->internalOrBoundaryDualVertex())
         {
-            if (cit->parallelDualVertex())
-            {
-                cit->cellIndex() = globalParallelPointIndices.toGlobal
-                (
-                    dualVertI
-                );
-
-                drawDelaunayCell(tetStr, cit, pTetI++);
-            }
-            else
-            {
-                cit->cellIndex() = dualVertI;
-
-                if
-                (
-                    !cit->vertex(0)->internalOrBoundaryPoint()
-                 || !cit->vertex(1)->internalOrBoundaryPoint()
-                 || !cit->vertex(2)->internalOrBoundaryPoint()
-                 || !cit->vertex(3)->internalOrBoundaryPoint()
-                )
-                {
-                    // This is a boundary dual vertex
-
-                    boundaryPts[dualVertI] = true;
-                }
-            }
+            cit->cellIndex() = dualVertI;
 
             pts[dualVertI] = topoint(dual(cit));
 
+            if
+            (
+                !cit->vertex(0)->internalOrBoundaryPoint()
+             || !cit->vertex(1)->internalOrBoundaryPoint()
+             || !cit->vertex(2)->internalOrBoundaryPoint()
+             || !cit->vertex(3)->internalOrBoundaryPoint()
+            )
+            {
+                // This is a boundary dual vertex
+
+                boundaryPts[dualVertI] = true;
+            }
+
             dualVertI++;
         }
         else
diff --git a/src/mesh/conformalVoronoiMesh/conformalVoronoiMesh/conformalVoronoiMeshIO.C b/src/mesh/conformalVoronoiMesh/conformalVoronoiMesh/conformalVoronoiMeshIO.C
index ab4d58975e..b93d0f8f9f 100644
--- a/src/mesh/conformalVoronoiMesh/conformalVoronoiMesh/conformalVoronoiMeshIO.C
+++ b/src/mesh/conformalVoronoiMesh/conformalVoronoiMesh/conformalVoronoiMeshIO.C
@@ -423,10 +423,10 @@ void Foam::conformalVoronoiMesh::writeMesh
 
     patches.setSize(nValidPatches);
 
-    // mesh.addFvPatches(patches);
+    mesh.addFvPatches(patches);
 
-    Info<< "ADDPATCHES NOT IN PARALLEL" << endl;
-    mesh.addFvPatches(patches, false);
+    // Info<< "ADDPATCHES NOT IN PARALLEL" << endl;
+    // mesh.addFvPatches(patches, false);
 
     if (!mesh.write())
     {
@@ -456,7 +456,7 @@ void Foam::conformalVoronoiMesh::writeMesh
 
     // cellCs.write();
 
-    // writeCellSizes(mesh);
+    writeCellSizes(mesh);
 
     findRemainingProtrusionSet(mesh);
 }