diff --git a/src/lagrangian/molecularDynamics/old/mdTools/averageMDFields.H b/src/lagrangian/molecularDynamics/old/mdTools/averageMDFields.H
deleted file mode 100644
index a19febe07b..0000000000
--- a/src/lagrangian/molecularDynamics/old/mdTools/averageMDFields.H
+++ /dev/null
@@ -1,227 +0,0 @@
-if (runTime.outputTime())
-{
-    /*-----------------------------------------------------------------------*\
-        Number density
-    \*-----------------------------------------------------------------------*/
-
-    scalarField totalRhoN_sum(mesh.nCells(), 0.0);
-
-    forAll(allSpeciesRhoN, rN)
-    {
-        allSpeciesRhoN[rN].internalField() =
-            allSpeciesN_RU[rN]
-            /mesh.cellVolumes()
-            /nAveragingSteps;
-
-        totalRhoN_sum += allSpeciesRhoN[rN].internalField();
-    }
-
-    totalRhoN.internalField() = totalRhoN_sum;
-
-
-    /*-----------------------------------------------------------------------*\
-        Mass density
-    \*-----------------------------------------------------------------------*/
-
-    scalarField totalRhoM_sum(mesh.nCells(), 0.0);
-
-    forAll(allSpeciesRhoM, rM)
-    {
-        allSpeciesRhoM[rM].internalField() =
-            allSpeciesM_RU[rM]
-            /mesh.cellVolumes()
-            /nAveragingSteps;
-
-        totalRhoM_sum += allSpeciesRhoM[rM].internalField();
-    }
-
-    totalRhoM.internalField() = totalRhoM_sum;
-
-    /*-----------------------------------------------------------------------*\
-        Bulk velocity
-    \*-----------------------------------------------------------------------*/
-
-    vectorField totalMomentum_sum(mesh.nCells(), vector::zero);
-
-    scalarField totalMass_sum(mesh.nCells(), 0.0);
-
-    forAll(allSpeciesVelocity, v)
-    {
-        // A check for 1/0 molecules is required.
-
-        vectorField& singleSpeciesVelocity
-        (
-            allSpeciesVelocity[v].internalField()
-        );
-
-        forAll(singleSpeciesVelocity, sSV)
-        {
-            if (allSpeciesN_RU[v][sSV])
-            {
-                singleSpeciesVelocity[sSV] =
-                    allSpeciesVelocitySum_RU[v][sSV]
-                    /allSpeciesN_RU[v][sSV];
-
-                totalMomentum_sum[sSV] +=
-                    allSpeciesM_RU[v][sSV]
-                    /allSpeciesN_RU[v][sSV]
-                    *allSpeciesVelocitySum_RU[v][sSV];
-
-                totalMass_sum[sSV] += allSpeciesM_RU[v][sSV];
-            }
-            else
-            {
-                singleSpeciesVelocity[sSV] = vector::zero;
-            }
-        }
-    }
-
-    volVectorField::InternalField& itotalVelocity =
-        totalVelocity.internalField();
-
-    forAll(itotalVelocity, tV)
-    {
-        if (totalMass_sum[tV] > VSMALL)
-        {
-            itotalVelocity[tV] = totalMomentum_sum[tV]/totalMass_sum[tV];
-        }
-        else
-        {
-            itotalVelocity[tV] = vector::zero;
-        }
-    }
-
-    /*-----------------------------------------------------------------------*\
-        Kinetic temperature
-    \*-----------------------------------------------------------------------*/
-
-    scalarField totalTemperatureVTerms_sum(mesh.nCells(), 0.0);
-
-    scalarField totalN_sum(mesh.nCells(), 0.0);
-
-    forAll(allSpeciesTemperature, t)
-    {
-        // A check for 1/0 molecules is required.
-
-        scalarField& singleSpeciesTemp
-        (
-            allSpeciesTemperature[t].internalField()
-        );
-
-        forAll(singleSpeciesTemp, sST)
-        {
-            if (allSpeciesN_RU[t][sST])
-            {
-                singleSpeciesTemp[sST] =
-                    allSpeciesM_RU[t][sST]
-                    /allSpeciesN_RU[t][sST]
-                    /(3.0 * moleculeCloud::kb * allSpeciesN_RU[t][sST])
-                   *(
-                        allSpeciesVelocityMagSquaredSum_RU[t][sST]
-                        -
-                        (
-                            allSpeciesVelocitySum_RU[t][sST]
-                            &
-                            allSpeciesVelocitySum_RU[t][sST]
-                        )
-                        /allSpeciesN_RU[t][sST]
-                    );
-
-                totalTemperatureVTerms_sum[sST] +=
-                    allSpeciesM_RU[t][sST]
-                   /allSpeciesN_RU[t][sST]
-                   *(
-                        allSpeciesVelocityMagSquaredSum_RU[t][sST]
-                      -
-                        (
-                            allSpeciesVelocitySum_RU[t][sST]
-                            &
-                            allSpeciesVelocitySum_RU[t][sST]
-                        )
-                        /allSpeciesN_RU[t][sST]
-                    );
-
-                totalN_sum[sST] += allSpeciesN_RU[t][sST];
-            }
-            else
-            {
-                singleSpeciesTemp[sST] = 0.0;
-            }
-        }
-    }
-
-    volScalarField::InternalField& itotalTemperature =
-        totalTemperature.internalField();
-
-    forAll(itotalTemperature, tT)
-    {
-        if (totalN_sum[tT] > 0)
-        {
-            itotalTemperature[tT] =
-                totalTemperatureVTerms_sum[tT]
-                /(3.0 * moleculeCloud::kb * totalN_sum[tT]);
-        }
-        else
-        {
-            itotalTemperature[tT] = 0.0;
-        }
-    }
-
-    /*-----------------------------------------------------------------------*\
-        Mean kinetic energy
-    \*-----------------------------------------------------------------------*/
-
-    scalarField totalKE_sum(mesh.nCells(), 0.0);
-
-    forAll(allSpeciesMeanKE, mKE)
-    {
-        // A check for 1/0 molecules is required.
-
-        scalarField& singleSpeciesMeanKE
-        (
-            allSpeciesMeanKE[mKE].internalField()
-        );
-
-        forAll(singleSpeciesMeanKE, sSMKE)
-        {
-            if (allSpeciesN_RU[mKE][sSMKE])
-            {
-                singleSpeciesMeanKE[sSMKE] =
-                    allSpeciesM_RU[mKE][sSMKE]
-                   /allSpeciesN_RU[mKE][sSMKE]
-                   /(2.0*allSpeciesN_RU[mKE][sSMKE])
-                   *(
-                        allSpeciesVelocityMagSquaredSum_RU[mKE][sSMKE]
-                    );
-
-                totalKE_sum[sSMKE] +=
-                    allSpeciesM_RU[mKE][sSMKE]
-                    /allSpeciesN_RU[mKE][sSMKE]
-                    /2.0
-                   *(
-                        allSpeciesVelocityMagSquaredSum_RU[mKE][sSMKE]
-                    );
-            }
-            else
-            {
-                singleSpeciesMeanKE[sSMKE] = 0.0;
-            }
-        }
-    }
-
-    volScalarField::InternalField& itotalMeanKE = totalMeanKE.internalField();
-
-    forAll(itotalMeanKE, tMKE)
-    {
-        if (totalN_sum[tMKE] > 0)
-        {
-            itotalMeanKE[tMKE] =
-                totalKE_sum[tMKE]
-                /totalN_sum[tMKE];
-        }
-        else
-        {
-            itotalMeanKE[tMKE] = 0.0;
-        }
-    }
-}
diff --git a/src/lagrangian/molecularDynamics/old/mdTools/calculateAutoCorrelationFunctions.H b/src/lagrangian/molecularDynamics/old/mdTools/calculateAutoCorrelationFunctions.H
deleted file mode 100644
index 4b46bdd0df..0000000000
--- a/src/lagrangian/molecularDynamics/old/mdTools/calculateAutoCorrelationFunctions.H
+++ /dev/null
@@ -1,77 +0,0 @@
-/*---------------------------------------------------------------------------*\
-  =========                 |
-  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
-   \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 2011 OpenFOAM Foundation
-     \\/     M anipulation  |
--------------------------------------------------------------------------------
-License
-    This file is part of OpenFOAM.
-
-    OpenFOAM is free software: you can redistribute it and/or modify it
-    under the terms of the GNU General Public License as published by
-    the Free Software Foundation, either version 3 of the License, or
-    (at your option) any later version.
-
-    OpenFOAM is distributed in the hope that it will be useful, but WITHOUT
-    ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
-    FITNESS FOR A PARTICULAR PURPOSE.  See the GNU General Public License
-    for more details.
-
-    You should have received a copy of the GNU General Public License
-    along with OpenFOAM.  If not, see <http://www.gnu.org/licenses/>.
-
-\*---------------------------------------------------------------------------*/
-
-if (mesh.time().timeIndex() % vacf.sampleSteps() == 0)
-{
-    Field<vector> uVals(molecules.size());
-
-    label uV = 0;
-
-    forAllConstIter(IDLList<molecule>, molecules, mol)
-    {
-        uVals[uV++] = mol().U();
-    }
-
-    vacf.calculateCorrelationFunction(uVals);
-}
-
-if (mesh.time().timeIndex() % pacf.sampleSteps() == 0)
-{
-    vector p = vector::zero;
-
-    forAllConstIter(IDLList<molecule>, molecules, mol)
-    {
-        p.x() +=
-            mol().mass() * mol().U().y() * mol().U().z()
-          + 0.5*mol().rf().yz();
-
-        p.y() +=
-            mol().mass() * mol().U().z() * mol().U().x()
-          + 0.5*mol().rf().zx();
-
-        p.z() +=
-            mol().mass() * mol().U().x() * mol().U().y()
-          + 0.5*mol().rf().xy();
-    }
-
-    pacf.calculateCorrelationFunction(p);
-}
-
-if (mesh.time().timeIndex() % hfacf.sampleSteps() == 0)
-{
-    vector s = vector::zero;
-
-    forAllConstIter(IDLList<molecule>, molecules, mol)
-    {
-        s +=
-        (
-            0.5*mol().mass()*magSqr(mol().U())
-          + mol().potentialEnergy()
-        )*mol().U()
-      + 0.5*(mol().rf() & mol().U());
-    }
-
-    hfacf.calculateCorrelationFunction(s);
-}
diff --git a/src/lagrangian/molecularDynamics/old/mdTools/calculateMDFields.H b/src/lagrangian/molecularDynamics/old/mdTools/calculateMDFields.H
deleted file mode 100644
index af5c938da4..0000000000
--- a/src/lagrangian/molecularDynamics/old/mdTools/calculateMDFields.H
+++ /dev/null
@@ -1,23 +0,0 @@
-const List<DynamicList<molecule*> >& cellOccupancy = molecules.cellOccupancy();
-
-forAll(cellOccupancy, cell)
-{
-    const List<molecule*>& molsInCell = cellOccupancy[cell];
-
-    forAll(molsInCell, mIC)
-    {
-        molecule* mol = molsInCell[mIC];
-
-        const label molId = mol->id();
-
-        const vector& molU = mol->U();
-
-        allSpeciesN_RU[molId][cell]++;
-
-        allSpeciesM_RU[molId][cell] += mol->mass();
-
-        allSpeciesVelocitySum_RU[molId][cell] += molU;
-
-        allSpeciesVelocityMagSquaredSum_RU[molId][cell] += molU & molU;
-    }
-}
diff --git a/src/lagrangian/molecularDynamics/old/mdTools/calculateTransportProperties.H b/src/lagrangian/molecularDynamics/old/mdTools/calculateTransportProperties.H
deleted file mode 100644
index 72af8f3657..0000000000
--- a/src/lagrangian/molecularDynamics/old/mdTools/calculateTransportProperties.H
+++ /dev/null
@@ -1,81 +0,0 @@
-/*---------------------------------------------------------------------------*\
-  =========                 |
-  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
-   \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 2011 OpenFOAM Foundation
-     \\/     M anipulation  |
--------------------------------------------------------------------------------
-License
-    This file is part of OpenFOAM.
-
-    OpenFOAM is free software: you can redistribute it and/or modify it
-    under the terms of the GNU General Public License as published by
-    the Free Software Foundation, either version 3 of the License, or
-    (at your option) any later version.
-
-    OpenFOAM is distributed in the hope that it will be useful, but WITHOUT
-    ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
-    FITNESS FOR A PARTICULAR PURPOSE.  See the GNU General Public License
-    for more details.
-
-    You should have received a copy of the GNU General Public License
-    along with OpenFOAM.  If not, see <http://www.gnu.org/licenses/>.
-
-\*---------------------------------------------------------------------------*/
-
-if (writeVacf)
-{
-    OFstream vacfFile(runTime.path()/"vacf");
-
-    if (!vacf.writeAveraged(vacfFile))
-    {
-        FatalErrorIn(args.executable())
-            << "Failed writing to "
-            << vacfFile.name()
-            << abort(FatalError);
-    }
-}
-
-Info<< "Diffusion coefficient = "
-    << vacf.integral() << endl;
-
-if (writePacf)
-{
-    OFstream pacfFile(runTime.path()/"pacf");
-
-    if (!pacf.writeAveraged(pacfFile))
-    {
-        FatalErrorIn(args.executable())
-            << "Failed writing to "
-            << pacfFile.name()
-            << abort(FatalError);
-    }
-}
-
-Info<< "Viscosity = "
-    << pacf.integral()/averageTemperature/moleculeCloud::kb/meshVolume
-    << endl;
-
-if (writeHFacf)
-{
-    OFstream hfacfFile
-    (
-        runTime.path()/ + "hfacf"
-    );
-
-    if (!hfacf.writeAveraged(hfacfFile))
-    {
-        FatalErrorIn(args.executable())
-            << "Failed writing to "
-            << hfacfFile.name()
-            << abort(FatalError);
-    }
-}
-
-Info<< "Thermal conductivity = "
-    << hfacf.integral()
-        /averageTemperature
-        /averageTemperature
-        /moleculeCloud::kb
-        / meshVolume
-    << endl;
diff --git a/src/lagrangian/molecularDynamics/old/mdTools/createAutoCorrelationFunctions.H b/src/lagrangian/molecularDynamics/old/mdTools/createAutoCorrelationFunctions.H
deleted file mode 100644
index 55fbe14bbc..0000000000
--- a/src/lagrangian/molecularDynamics/old/mdTools/createAutoCorrelationFunctions.H
+++ /dev/null
@@ -1,98 +0,0 @@
-/*---------------------------------------------------------------------------*\
-  =========                 |
-  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
-   \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 2011 OpenFOAM Foundation
-     \\/     M anipulation  |
--------------------------------------------------------------------------------
-License
-    This file is part of OpenFOAM.
-
-    OpenFOAM is free software: you can redistribute it and/or modify it
-    under the terms of the GNU General Public License as published by
-    the Free Software Foundation, either version 3 of the License, or
-    (at your option) any later version.
-
-    OpenFOAM is distributed in the hope that it will be useful, but WITHOUT
-    ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
-    FITNESS FOR A PARTICULAR PURPOSE.  See the GNU General Public License
-    for more details.
-
-    You should have received a copy of the GNU General Public License
-    along with OpenFOAM.  If not, see <http://www.gnu.org/licenses/>.
-
-\*---------------------------------------------------------------------------*/
-
-Info << nl << "Creating autocorrelation functions." << endl;
-
-IOdictionary mdTransportProperitesDict
-(
-    IOobject
-    (
-        "mdTransportProperitesDict",
-        mesh.time().system(),
-        mesh,
-        IOobject::MUST_READ_IF_MODIFIED,
-        IOobject::NO_WRITE,
-        false
-    )
-);
-
-const dictionary& autocorrelationFunctionDict
-(
-    mdTransportProperitesDict.subDict("autocorrelationFunctions")
-);
-
-//- Velocity autocorrelation function
-
-Info << tab << "velocty" << endl;
-
-const dictionary& velocityACFDict
-(
-    autocorrelationFunctionDict.subDict("velocity")
-);
-
-correlationFunction<vector> vacf
-(
-    mesh,
-    velocityACFDict,
-    molecules.size()
-);
-
-bool writeVacf(Switch(velocityACFDict.lookup("writeFile")));
-
-//- Pressure autocorrelation function
-
-Info << tab << "pressure" << endl;
-
-const dictionary& pressureACFDict
-(
-    autocorrelationFunctionDict.subDict("pressure")
-);
-
-correlationFunction<vector> pacf
-(
-    mesh,
-    pressureACFDict,
-    1
-);
-
-bool writePacf(Switch(pressureACFDict.lookup("writeFile")));
-
-//- Heat flux autocorrelation function
-
-Info << tab << "heat flux" << endl;
-
-const dictionary& heatFluxACFDict
-(
-    autocorrelationFunctionDict.subDict("heatFlux")
-);
-
-correlationFunction<vector> hfacf
-(
-    mesh,
-    heatFluxACFDict,
-    1
-);
-
-bool writeHFacf(Switch(heatFluxACFDict.lookup("writeFile")));
diff --git a/src/lagrangian/molecularDynamics/old/mdTools/createMDFields.H b/src/lagrangian/molecularDynamics/old/mdTools/createMDFields.H
deleted file mode 100644
index 6d6617d652..0000000000
--- a/src/lagrangian/molecularDynamics/old/mdTools/createMDFields.H
+++ /dev/null
@@ -1,324 +0,0 @@
-// Fields for data gathering
-
-List< scalarField > allSpeciesN_RU
-(
-    molecules.potential().nIds(),
-    scalarField (mesh.nCells(), 0.0)
-);
-
-List< scalarField > allSpeciesM_RU
-(
-    molecules.potential().nIds(),
-    scalarField (mesh.nCells(), 0.0)
-);
-
-List< vectorField > allSpeciesVelocitySum_RU
-(
-    molecules.potential().nIds(),
-    vectorField (mesh.nCells(), vector::zero)
-);
-
-List< scalarField > allSpeciesVelocityMagSquaredSum_RU
-(
-    molecules.potential().nIds(),
-    scalarField (mesh.nCells(), 0.0)
-);
-
-// Geometric Fields for IO
-
-Info << nl << "Creating fields." << endl;
-
-/*---------------------------------------------------------------------------*\
-    Number density
-\*---------------------------------------------------------------------------*/
-
-PtrList<volScalarField> allSpeciesRhoN
-(
-    molecules.potential().nIds()
-);
-
-forAll(allSpeciesRhoN, rN)
-{
-    Info<< "    Creating number density field for "
-        << molecules.potential().idList()[rN] << endl;
-
-    allSpeciesRhoN.set
-    (
-        rN,
-        new volScalarField
-        (
-            IOobject
-            (
-                "rhoN_" + molecules.potential().idList()[rN],
-                runTime.timeName(),
-                mesh,
-                IOobject::NO_READ,
-                IOobject::AUTO_WRITE
-            ),
-            mesh,
-            dimless/dimVolume,
-            "zeroGradient"
-        )
-    );
-    allSpeciesRhoN[rN].internalField() = scalarField (mesh.nCells(), 0.0);
-    allSpeciesRhoN[rN].correctBoundaryConditions();
-}
-
-Info << "    Creating total number density field" << endl;
-
-volScalarField totalRhoN
-(
-    IOobject
-    (
-        "rhoN_total",
-        runTime.timeName(),
-        mesh,
-        IOobject::NO_READ,
-        IOobject::AUTO_WRITE
-    ),
-    mesh,
-    dimless/dimVolume,
-    "zeroGradient"
-);
-totalRhoN.internalField() = scalarField (mesh.nCells(), 0.0);
-totalRhoN.correctBoundaryConditions();
-
-/*---------------------------------------------------------------------------*\
-    Mass density
-\*---------------------------------------------------------------------------*/
-
-PtrList<volScalarField> allSpeciesRhoM
-(
-    molecules.potential().nIds()
-);
-
-forAll(allSpeciesRhoM, rM)
-{
-    Info<< "    Creating mass density field for "
-        << molecules.potential().idList()[rM] << endl;
-
-    allSpeciesRhoM.set
-    (
-        rM,
-        new volScalarField
-        (
-            IOobject
-            (
-                "rhoM_" + molecules.potential().idList()[rM],
-                runTime.timeName(),
-                mesh,
-                IOobject::NO_READ,
-                IOobject::AUTO_WRITE
-            ),
-            mesh,
-            dimMass/dimVolume,
-            "zeroGradient"
-        )
-    );
-    allSpeciesRhoM[rM].internalField() = scalarField (mesh.nCells(), 0.0);
-    allSpeciesRhoM[rM].correctBoundaryConditions();
-}
-
-Info << "    Creating total mass density field" << endl;
-
-volScalarField totalRhoM
-(
-    IOobject
-    (
-        "rhoM_total",
-        runTime.timeName(),
-        mesh,
-        IOobject::NO_READ,
-        IOobject::AUTO_WRITE
-    ),
-    mesh,
-    dimMass/dimVolume,
-    "zeroGradient"
-);
-totalRhoM.internalField() = scalarField (mesh.nCells(), 0.0);
-totalRhoM.correctBoundaryConditions();
-
-/*---------------------------------------------------------------------------*\
-    Bulk velocity
-\*---------------------------------------------------------------------------*/
-
-PtrList<volVectorField> allSpeciesVelocity
-(
-    molecules.potential().nIds()
-);
-
-forAll(allSpeciesVelocity, v)
-{
-    Info<< "    Creating velocity field for "
-        << molecules.potential().idList()[v] << endl;
-
-    allSpeciesVelocity.set
-    (
-        v,
-        new volVectorField
-        (
-            IOobject
-            (
-                "velocity_" + molecules.potential().idList()[v],
-                runTime.timeName(),
-                mesh,
-                IOobject::NO_READ,
-                IOobject::AUTO_WRITE
-            ),
-            mesh,
-            dimVelocity,
-            "zeroGradient"
-        )
-    );
-    allSpeciesVelocity[v].internalField() =
-        vectorField (mesh.nCells(), vector::zero);
-    allSpeciesVelocity[v].correctBoundaryConditions();
-}
-
-Info << "    Creating total velocity field" << endl;
-
-// volVectorField totalVelocity
-// (
-//     IOobject
-//     (
-//         "velocity_total",
-//         runTime.timeName(),
-//         mesh,
-//         IOobject::NO_READ,
-//         IOobject::AUTO_WRITE
-//     ),
-//     mesh,
-//     dimVelocity,
-//     "zeroGradient"
-// );
-// totalVelocity.internalField() = vectorField (mesh.nCells(), vector::zero);
-// totalVelocity.correctBoundaryConditions();
-
-
-volVectorField totalVelocity
-
-(
-    IOobject
-    (
-
-    "velocity_total",
-    runTime.timeName(),
-    mesh,
-    IOobject::NO_READ,
-    IOobject::AUTO_WRITE
-
-    ),
-    mesh,
-    dimensionedVector("zero", dimVelocity, vector::zero)
-);
-
-/*---------------------------------------------------------------------------*\
-    Kinetic temperature
-\*---------------------------------------------------------------------------*/
-
-PtrList<volScalarField> allSpeciesTemperature
-(
-    molecules.potential().nIds()
-);
-
-forAll(allSpeciesTemperature, t)
-{
-    Info<< "    Creating temperature field for "
-        << molecules.potential().idList()[t] << endl;
-
-    allSpeciesTemperature.set
-    (
-        t,
-        new volScalarField
-        (
-            IOobject
-            (
-                "temperature_" + molecules.potential().idList()[t],
-                runTime.timeName(),
-                mesh,
-                IOobject::NO_READ,
-                IOobject::AUTO_WRITE
-            ),
-            mesh,
-            dimTemperature,
-            "zeroGradient"
-        )
-    );
-    allSpeciesTemperature[t].internalField() = scalarField (mesh.nCells(), 0.0);
-    allSpeciesTemperature[t].correctBoundaryConditions();
-}
-
-Info << "    Creating total temperature field" << endl;
-
-volScalarField totalTemperature
-(
-    IOobject
-    (
-        "temperature_total",
-        runTime.timeName(),
-        mesh,
-        IOobject::NO_READ,
-        IOobject::AUTO_WRITE
-    ),
-    mesh,
-    dimTemperature,
-    "zeroGradient"
-);
-totalTemperature.internalField() = scalarField (mesh.nCells(), 0.0);
-totalTemperature.correctBoundaryConditions();
-
-/*---------------------------------------------------------------------------*\
-    Mean kinetic energy
-\*---------------------------------------------------------------------------*/
-
-
-PtrList<volScalarField> allSpeciesMeanKE
-(
-    molecules.potential().nIds()
-);
-
-forAll(allSpeciesMeanKE, mKE)
-{
-    Info<< "    Creating mean kinetic energy field for "
-        << molecules.potential().idList()[mKE] << endl;
-
-    allSpeciesMeanKE.set
-    (
-        mKE,
-        new volScalarField
-        (
-            IOobject
-            (
-                "meanKE_" + molecules.potential().idList()[mKE],
-                runTime.timeName(),
-                mesh,
-                IOobject::NO_READ,
-                IOobject::AUTO_WRITE
-            ),
-            mesh,
-            dimensionSet(1, 2, -2, 0, 0, 0, 0),
-            "zeroGradient"
-        )
-    );
-    allSpeciesMeanKE[mKE].internalField() = scalarField (mesh.nCells(), 0.0);
-    allSpeciesMeanKE[mKE].correctBoundaryConditions();
-}
-
-Info << "    Creating total mean kinetic energy field" << endl;
-
-volScalarField totalMeanKE
-(
-    IOobject
-    (
-        "meanKE_total",
-        runTime.timeName(),
-        mesh,
-        IOobject::NO_READ,
-        IOobject::AUTO_WRITE
-    ),
-    mesh,
-    dimensionSet(1, 2, -2, 0, 0, 0, 0),
-    "zeroGradient"
-);
-totalMeanKE.internalField() = scalarField (mesh.nCells(), 0.0);
-totalMeanKE.correctBoundaryConditions();
diff --git a/src/lagrangian/molecularDynamics/old/mdTools/createRefUnits.H b/src/lagrangian/molecularDynamics/old/mdTools/createRefUnits.H
deleted file mode 100644
index c1e558b221..0000000000
--- a/src/lagrangian/molecularDynamics/old/mdTools/createRefUnits.H
+++ /dev/null
@@ -1,22 +0,0 @@
-reducedUnits refUnits;
-
-IOobject reducedUnitsDictIOobject
-(
-    "reducedUnitsDict",
-    runTime.system(),
-    mesh,
-    IOobject::READ_IF_PRESENT,
-    IOobject::NO_WRITE
-);
-
-if (reducedUnitsDictIOobject.headerOk())
-{
-    Info<< nl
-        << "Reading reference quantities from reducedUnitsDict file." << endl;
-
-    IOdictionary reducedUnitsDict(reducedUnitsDictIOobject);
-
-    refUnits.setRefValues(reducedUnitsDict);
-}
-
-Info << refUnits << endl;
diff --git a/src/lagrangian/molecularDynamics/old/mdTools/md.H b/src/lagrangian/molecularDynamics/old/mdTools/md.H
deleted file mode 100644
index 9a079764ae..0000000000
--- a/src/lagrangian/molecularDynamics/old/mdTools/md.H
+++ /dev/null
@@ -1,9 +0,0 @@
-#ifndef md_H
-#define md_H
-    #include "potential.H"
-    #include "moleculeCloud.H"
-    #include "correlationFunction.H"
-    #include "distribution.H"
-    #include "reducedUnits.H"
-#endif
-
diff --git a/src/lagrangian/molecularDynamics/old/mdTools/meanMomentumEnergyAndNMols.H b/src/lagrangian/molecularDynamics/old/mdTools/meanMomentumEnergyAndNMols.H
deleted file mode 100644
index ae117cafc5..0000000000
--- a/src/lagrangian/molecularDynamics/old/mdTools/meanMomentumEnergyAndNMols.H
+++ /dev/null
@@ -1,180 +0,0 @@
-/*---------------------------------------------------------------------------*\
-  =========                 |
-  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
-   \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 2011 OpenFOAM Foundation
-     \\/     M anipulation  |
--------------------------------------------------------------------------------
-License
-    This file is part of OpenFOAM.
-
-    OpenFOAM is free software: you can redistribute it and/or modify it
-    under the terms of the GNU General Public License as published by
-    the Free Software Foundation, either version 3 of the License, or
-    (at your option) any later version.
-
-    OpenFOAM is distributed in the hope that it will be useful, but WITHOUT
-    ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
-    FITNESS FOR A PARTICULAR PURPOSE.  See the GNU General Public License
-    for more details.
-
-    You should have received a copy of the GNU General Public License
-    along with OpenFOAM.  If not, see <http://www.gnu.org/licenses/>.
-
-Global
-    meanMomentumEnergyAndNMols.H
-
-Description
-    Calculates and prints the mean momentum and energy in the system
-    and the number of molecules.
-
-\*---------------------------------------------------------------------------*/
-
-
-vector singleStepTotalLinearMomentum(vector::zero);
-
-vector singleStepTotalAngularMomentum(vector::zero);
-
-scalar singleStepMaxVelocityMag = 0.0;
-
-scalar singleStepTotalMass = 0.0;
-
-scalar singleStepTotalLinearKE = 0.0;
-
-scalar singleStepTotalAngularKE = 0.0;
-
-scalar singleStepTotalPE = 0.0;
-
-scalar singleStepTotalrDotf = 0.0;
-
-//vector singleStepCentreOfMass(vector::zero);
-
-label singleStepNMols = molecules.size();
-
-label singleStepDOFs = 0;
-
-{
-    forAllConstIter(IDLList<molecule>, molecules, mol)
-    {
-        const label molId = mol().id();
-
-        scalar molMass(molecules.constProps(molId).mass());
-
-        singleStepTotalMass += molMass;
-
-        //singleStepCentreOfMass += mol().position()*molMass;
-    }
-
-    // if (singleStepNMols)
-    // {
-    //     singleStepCentreOfMass /= singleStepTotalMass;
-    // }
-
-    forAllConstIter(IDLList<molecule>, molecules, mol)
-    {
-        const label molId = mol().id();
-
-        const molecule::constantProperties cP(molecules.constProps(molId));
-
-        scalar molMass(cP.mass());
-
-        const diagTensor& molMoI(cP.momentOfInertia());
-
-        const vector& molV(mol().v());
-
-        const vector& molOmega(inv(molMoI) & mol().pi());
-
-        vector molPiGlobal = mol().Q() & mol().pi();
-
-        singleStepTotalLinearMomentum += molV * molMass;
-
-        singleStepTotalAngularMomentum += molPiGlobal;
-        //+((mol().position() - singleStepCentreOfMass) ^ (molV * molMass));
-
-        if (mag(molV) > singleStepMaxVelocityMag)
-        {
-            singleStepMaxVelocityMag = mag(molV);
-        }
-
-        singleStepTotalLinearKE += 0.5*molMass*magSqr(molV);
-
-        singleStepTotalAngularKE += 0.5*(molOmega & molMoI & molOmega);
-
-        singleStepTotalPE += mol().potentialEnergy();
-
-        singleStepTotalrDotf += tr(mol().rf());
-
-        singleStepDOFs += cP.degreesOfFreedom();
-    }
-}
-
-if (Pstream::parRun())
-{
-    reduce(singleStepTotalLinearMomentum, sumOp<vector>());
-
-    reduce(singleStepTotalAngularMomentum, sumOp<vector>());
-
-    reduce(singleStepMaxVelocityMag, maxOp<scalar>());
-
-    reduce(singleStepTotalMass, sumOp<scalar>());
-
-    reduce(singleStepTotalLinearKE, sumOp<scalar>());
-
-    reduce(singleStepTotalAngularKE, sumOp<scalar>());
-
-    reduce(singleStepTotalPE, sumOp<scalar>());
-
-    reduce(singleStepTotalrDotf, sumOp<scalar>());
-
-    reduce(singleStepNMols, sumOp<label>());
-
-    reduce(singleStepDOFs, sumOp<label>());
-}
-
-if (singleStepNMols)
-{
-    Info<< "Number of molecules in system = "
-        << singleStepNMols << nl
-        << "Overall number density = "
-        << singleStepNMols/meshVolume << nl
-        << "Overall mass density = "
-        << singleStepTotalMass/meshVolume << nl
-        << "Average linear momentum per molecule = "
-        << singleStepTotalLinearMomentum/singleStepNMols << ' '
-        << mag(singleStepTotalLinearMomentum)/singleStepNMols << nl
-        << "Average angular momentum per molecule = "
-        << singleStepTotalAngularMomentum << ' '
-        << mag(singleStepTotalAngularMomentum)/singleStepNMols << nl
-        << "Maximum |velocity| = "
-        << singleStepMaxVelocityMag << nl
-        << "Average linear KE per molecule = "
-        << singleStepTotalLinearKE/singleStepNMols << nl
-        << "Average angular KE per molecule = "
-        << singleStepTotalAngularKE/singleStepNMols << nl
-        << "Average PE per molecule = "
-        << singleStepTotalPE/singleStepNMols << nl
-        << "Average TE per molecule = "
-        <<
-        (
-            singleStepTotalLinearKE
-          + singleStepTotalAngularKE
-          + singleStepTotalPE
-        )
-        /singleStepNMols
-        << endl;
-
-        // Info<< singleStepNMols << " "
-        //     << singleStepTotalMomentum/singleStepTotalMass << " "
-        //     << singleStepMaxVelocityMag << " "
-        //     << singleStepTotalKE/singleStepNMols << " "
-        //     << singleStepTotalPE/singleStepNMols << " "
-        //     << (singleStepTotalKE + singleStepTotalPE)
-        //        /singleStepNMols << endl;
-}
-else
-{
-    Info<< "No molecules in system" << endl;
-}
-
-
-// ************************************************************************* //
diff --git a/src/lagrangian/molecularDynamics/old/mdTools/resetMDFields.H b/src/lagrangian/molecularDynamics/old/mdTools/resetMDFields.H
deleted file mode 100644
index af0197b5fe..0000000000
--- a/src/lagrangian/molecularDynamics/old/mdTools/resetMDFields.H
+++ /dev/null
@@ -1,26 +0,0 @@
-if (runTime.outputTime())
-{
-    allSpeciesN_RU = List< scalarField >
-    (
-        molecules.potential().nIds(),
-        scalarField(mesh.nCells(), 0.0)
-    );
-
-    allSpeciesM_RU = List< scalarField >
-    (
-        molecules.potential().nIds(),
-        scalarField(mesh.nCells(), 0.0)
-    );
-
-    allSpeciesVelocitySum_RU = List< vectorField >
-    (
-        molecules.potential().nIds(),
-        vectorField(mesh.nCells(), vector::zero)
-    );
-
-    allSpeciesVelocityMagSquaredSum_RU = List< scalarField >
-    (
-        molecules.potential().nIds(),
-        scalarField(mesh.nCells(), 0.0)
-    );
-}
diff --git a/src/lagrangian/molecularDynamics/old/mdTools/temperatureAndPressure.H b/src/lagrangian/molecularDynamics/old/mdTools/temperatureAndPressure.H
deleted file mode 100644
index df182244d2..0000000000
--- a/src/lagrangian/molecularDynamics/old/mdTools/temperatureAndPressure.H
+++ /dev/null
@@ -1,111 +0,0 @@
-/*---------------------------------------------------------------------------*\
-  =========                 |
-  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
-   \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 2011 OpenFOAM Foundation
-     \\/     M anipulation  |
--------------------------------------------------------------------------------
-License
-    This file is part of OpenFOAM.
-
-    OpenFOAM is free software: you can redistribute it and/or modify it
-    under the terms of the GNU General Public License as published by
-    the Free Software Foundation, either version 3 of the License, or
-    (at your option) any later version.
-
-    OpenFOAM is distributed in the hope that it will be useful, but WITHOUT
-    ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
-    FITNESS FOR A PARTICULAR PURPOSE.  See the GNU General Public License
-    for more details.
-
-    You should have received a copy of the GNU General Public License
-    along with OpenFOAM.  If not, see <http://www.gnu.org/licenses/>.
-
-Global
-    temperatureAndPressure.H
-
-Description
-    Accumulates values for temperature and pressure measurement, and
-    calculates and outputs the average values at output times.
-    Requires temperatureAndPressureVariables.H to be declared before the
-    timeloop.
-
-\*---------------------------------------------------------------------------*/
-
-accumulatedTotalLinearMomentum += singleStepTotalLinearMomentum;
-
-accumulatedTotalMass += singleStepTotalMass;
-
-accumulatedTotalLinearKE += singleStepTotalLinearKE;
-
-accumulatedTotalAngularKE += singleStepTotalAngularKE;
-
-accumulatedTotalPE += singleStepTotalPE;
-
-accumulatedTotalrDotfSum += singleStepTotalrDotf;
-
-accumulatedNMols += singleStepNMols;
-
-accumulatedDOFs += singleStepDOFs;
-
-if (runTime.outputTime())
-{
-    if (accumulatedNMols)
-    {
-        Info<< "calculating averages" << endl;
-
-        averageTemperature =
-        (
-            2.0/(physicoChemical::k.value()*accumulatedDOFs)
-            *
-            (
-                accumulatedTotalLinearKE + accumulatedTotalAngularKE
-                -
-                0.5*magSqr(accumulatedTotalLinearMomentum)/accumulatedTotalMass
-            )
-        );
-
-        averagePressure =
-        (
-            (
-                (accumulatedNMols/nAveragingSteps)
-               *physicoChemical::k.value()*averageTemperature
-              + accumulatedTotalrDotfSum/(6.0*nAveragingSteps)
-            )
-            /
-            meshVolume
-        );
-
-        Info<< "----------------------------------------" << nl
-            << "Averaged properties" << nl
-            << "Average |velocity| = "
-            << mag(accumulatedTotalLinearMomentum)/accumulatedTotalMass << nl
-            << "Average temperature = " << averageTemperature << nl
-            << "Average pressure = " << averagePressure << nl
-            << "----------------------------------------" << endl;
-    }
-    else
-    {
-        Info<< "Not averaging temperature and pressure: "
-            << "no molecules in system" << endl;
-    }
-
-    accumulatedTotalLinearMomentum = vector::zero;
-
-    accumulatedTotalMass = 0.0;
-
-    accumulatedTotalLinearKE = 0.0;
-
-    accumulatedTotalAngularKE = 0.0;
-
-    accumulatedTotalPE = 0.0;
-
-    accumulatedTotalrDotfSum = 0.0;
-
-    accumulatedNMols = 0;
-
-    accumulatedDOFs = 0;
-}
-
-
-// ************************************************************************* //
diff --git a/src/lagrangian/molecularDynamics/old/mdTools/temperatureAndPressureVariables.H b/src/lagrangian/molecularDynamics/old/mdTools/temperatureAndPressureVariables.H
deleted file mode 100644
index d0aa0aabe8..0000000000
--- a/src/lagrangian/molecularDynamics/old/mdTools/temperatureAndPressureVariables.H
+++ /dev/null
@@ -1,62 +0,0 @@
-/*---------------------------------------------------------------------------*\
-  =========                 |
-  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
-   \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 2011 OpenFOAM Foundation
-     \\/     M anipulation  |
--------------------------------------------------------------------------------
-License
-    This file is part of OpenFOAM.
-
-    OpenFOAM is free software: you can redistribute it and/or modify it
-    under the terms of the GNU General Public License as published by
-    the Free Software Foundation, either version 3 of the License, or
-    (at your option) any later version.
-
-    OpenFOAM is distributed in the hope that it will be useful, but WITHOUT
-    ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
-    FITNESS FOR A PARTICULAR PURPOSE.  See the GNU General Public License
-    for more details.
-
-    You should have received a copy of the GNU General Public License
-    along with OpenFOAM.  If not, see <http://www.gnu.org/licenses/>.
-
-Global
-    temperatureAndPressureVariables.H
-
-Description
-    Provides accumulation variables for temperatureAndPressure.H
-
-\*---------------------------------------------------------------------------*/
-
-vector accumulatedTotalLinearMomentum(vector::zero);
-
-scalar accumulatedTotalMass = 0.0;
-
-scalar accumulatedTotalAngularKE = 0.0;
-
-scalar accumulatedTotalLinearKE = 0.0;
-
-scalar accumulatedTotalPE = 0.0;
-
-scalar accumulatedTotalrDotfSum = 0.0;
-
-label accumulatedNMols = 0;
-
-label accumulatedDOFs = 0;
-
-scalar averageTemperature = 0.0;
-
-scalar averagePressure = 0.0;
-
-const scalarField& cellVols = mesh.cellVolumes();
-
-scalar meshVolume = sum(cellVols);
-
-if (Pstream::parRun())
-{
-    reduce(meshVolume, sumOp<scalar>());
-}
-
-
-// ************************************************************************* //
diff --git a/src/lagrangian/molecularDynamics/old/mdTools/temperatureEquilibration.H b/src/lagrangian/molecularDynamics/old/mdTools/temperatureEquilibration.H
deleted file mode 100644
index 78a1e42d9b..0000000000
--- a/src/lagrangian/molecularDynamics/old/mdTools/temperatureEquilibration.H
+++ /dev/null
@@ -1,42 +0,0 @@
-/*---------------------------------------------------------------------------*\
-  =========                 |
-  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
-   \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 2011 OpenFOAM Foundation
-     \\/     M anipulation  |
--------------------------------------------------------------------------------
-License
-    This file is part of OpenFOAM.
-
-    OpenFOAM is free software: you can redistribute it and/or modify it
-    under the terms of the GNU General Public License as published by
-    the Free Software Foundation, either version 3 of the License, or
-    (at your option) any later version.
-
-    OpenFOAM is distributed in the hope that it will be useful, but WITHOUT
-    ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
-    FITNESS FOR A PARTICULAR PURPOSE.  See the GNU General Public License
-    for more details.
-
-    You should have received a copy of the GNU General Public License
-    along with OpenFOAM.  If not, see <http://www.gnu.org/licenses/>.
-
-Global
-    temperatureEquilibration.H
-
-Description
-    Applies temperature control to molecules
-
-\*---------------------------------------------------------------------------*/
-
-if (runTime.outputTime())
-{
-    molecules.applyConstraintsAndThermostats
-    (
-        targetTemperature,
-        averageTemperature
-    );
-}
-
-
-// ************************************************************************* //
diff --git a/src/lagrangian/molecularDynamics/old/molecularMeasurements/Make/files b/src/lagrangian/molecularDynamics/old/molecularMeasurements/Make/files
deleted file mode 100644
index 8450dc8360..0000000000
--- a/src/lagrangian/molecularDynamics/old/molecularMeasurements/Make/files
+++ /dev/null
@@ -1,3 +0,0 @@
-distribution/distribution.C
-
-LIB = $(FOAM_LIBBIN)/libmolecularMeasurements
diff --git a/src/lagrangian/molecularDynamics/old/molecularMeasurements/Make/options b/src/lagrangian/molecularDynamics/old/molecularMeasurements/Make/options
deleted file mode 100644
index e69de29bb2..0000000000
diff --git a/src/lagrangian/molecularDynamics/old/molecularMeasurements/bufferedAccumulator/bufferedAccumulator.C b/src/lagrangian/molecularDynamics/old/molecularMeasurements/bufferedAccumulator/bufferedAccumulator.C
deleted file mode 100644
index 2163688da9..0000000000
--- a/src/lagrangian/molecularDynamics/old/molecularMeasurements/bufferedAccumulator/bufferedAccumulator.C
+++ /dev/null
@@ -1,236 +0,0 @@
-/*---------------------------------------------------------------------------*\
-  =========                 |
-  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
-   \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 2011 OpenFOAM Foundation
-     \\/     M anipulation  |
--------------------------------------------------------------------------------
-License
-    This file is part of OpenFOAM.
-
-    OpenFOAM is free software: you can redistribute it and/or modify it
-    under the terms of the GNU General Public License as published by
-    the Free Software Foundation, either version 3 of the License, or
-    (at your option) any later version.
-
-    OpenFOAM is distributed in the hope that it will be useful, but WITHOUT
-    ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
-    FITNESS FOR A PARTICULAR PURPOSE.  See the GNU General Public License
-    for more details.
-
-    You should have received a copy of the GNU General Public License
-    along with OpenFOAM.  If not, see <http://www.gnu.org/licenses/>.
-
-\*---------------------------------------------------------------------------*/
-
-#include "bufferedAccumulator.H"
-
-// * * * * * * * * * * * * * * Static Data Members * * * * * * * * * * * * * //
-
-template<class Type>
-const char* const
-    Foam::bufferedAccumulator<Type>::typeName("bufferedAccumulator");
-
-
-// * * * * * * * * * * * * * Private Member Functions  * * * * * * * * * * * //
-
-template<class Type>
-void Foam::bufferedAccumulator<Type>::accumulateAndResetBuffer(const label b)
-{
-    accumulationBuffer() += (*this)[b];
-
-    averagesTaken_++;
-
-    (*this)[b] = Field<Type>(bufferLength(), pTraits<Type>::zero);
-
-    bufferOffsets_[b] = 0;
-}
-
-
-// * * * * * * * * * * * * * * * * Constructors  * * * * * * * * * * * * * * //
-
-template<class Type>
-Foam::bufferedAccumulator<Type>::bufferedAccumulator()
-:
-    List< Field<Type> >(),
-    averagesTaken_(),
-    bufferOffsets_()
-{}
-
-
-template<class Type>
-Foam::bufferedAccumulator<Type>::bufferedAccumulator
-(
-    const label nBuffers,
-    const label bufferLength,
-    const label bufferingInterval
-)
-:
-    List< Field<Type> >(),
-    averagesTaken_(),
-    bufferOffsets_()
-{
-    setSizes
-    (
-        nBuffers,
-        bufferLength,
-        bufferingInterval
-    );
-}
-
-
-template<class Type>
-Foam::bufferedAccumulator<Type>::bufferedAccumulator
-(
-    const bufferedAccumulator<Type>& bA
-)
-:
-    List< Field<Type> >(static_cast< List< Field<Type> > >(bA)),
-    averagesTaken_(bA.averagesTaken()),
-    bufferOffsets_(bA.bufferOffsets())
-{}
-
-
-// * * * * * * * * * * * * * * * * Destructor  * * * * * * * * * * * * * * * //
-
-template<class Type>
-Foam::bufferedAccumulator<Type>::~bufferedAccumulator()
-{}
-
-
-// * * * * * * * * * * * * * * * Member Functions  * * * * * * * * * * * * * //
-
-template<class Type>
-void Foam::bufferedAccumulator<Type>::setSizes
-(
-    const label nBuffers,
-    const label bufferLength,
-    const label bufferingInterval
-)
-{
-    (*this).setSize(nBuffers + 1);
-
-    forAll((*this), b)
-    {
-        (*this)[b] = Field<Type>(bufferLength, pTraits<Type>::zero);
-    }
-
-    averagesTaken_ = 0;
-
-    bufferOffsets_.setSize(nBuffers);
-
-    forAll(bufferOffsets_, bO)
-    {
-        bufferOffsets_[bO] = -bufferingInterval * bO - 1;
-    }
-}
-
-
-template<class Type>
-Foam::label Foam::bufferedAccumulator<Type>::addToBuffers
-(
-    const List<Type>& valuesToAdd
-)
-{
-    label bufferToRefill = -1;
-
-    for (label b = 0; b < nBuffers(); b++)
-    {
-        Field<Type>& buf((*this)[b]);
-
-        label& bO = bufferOffsets_[b];
-
-        if (bO >= 0)
-        {
-            buf[bO] = valuesToAdd[b];
-        }
-
-        bO++;
-
-        if (bO == bufferLength())
-        {
-            accumulateAndResetBuffer(b);
-        }
-
-        if (bO == 0)
-        {
-            if (bufferToRefill != -1)
-            {
-                FatalErrorIn("bufferedAccumulator<Type>::addToBuffers ")
-                    << "More than one bufferedAccumulator accumulation "
-                    << "buffer filled at once, this is considered an error."
-                    << abort(FatalError);
-            }
-
-            bufferToRefill = b;
-        }
-    }
-
-    return bufferToRefill;
-}
-
-
-template<class Type>
-Foam::Field<Type> Foam::bufferedAccumulator<Type>::averaged() const
-{
-    if (averagesTaken_)
-    {
-        Field<Type> bA = accumulationBuffer()/averagesTaken_;
-
-        return bA;
-    }
-    else
-    {
-        WarningIn
-        (
-            "bufferedAccumulator<Type>::averagedbufferedAccumulator() const"
-        )   << "Averaged correlation function requested but averagesTaken = "
-            << averagesTaken_
-            << ". Returning empty field."
-            << endl;
-
-        return Field<Type>(bufferLength(), pTraits<Type>::zero);
-    }
-}
-
-
-template<class Type>
-void Foam::bufferedAccumulator<Type>::resetAveraging()
-{
-    accumulationBuffer() = Field<Type>(bufferLength(), pTraits<Type>::zero);
-
-    averagesTaken_ = 0;
-}
-
-
-// * * * * * * * * * * * * * * * Member Operators  * * * * * * * * * * * * * //
-
-template<class Type>
-void Foam::bufferedAccumulator<Type>::operator=
-(
-    const bufferedAccumulator<Type>& rhs
-)
-{
-    // Check for assignment to self
-    if (this == &rhs)
-    {
-        FatalErrorIn
-        (
-            "bufferedAccumulator<Type>::operator=(const bufferedAccumulator&)"
-        )   << "Attempted assignment to self"
-            << abort(FatalError);
-    }
-
-    List< Field<Type> >::operator=(rhs);
-
-    averagesTaken_ = rhs.averagesTaken();
-
-    bufferOffsets_ = rhs.bufferOffsets();
-}
-
-
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-
-#   include "bufferedAccumulatorIO.C"
-
-// ************************************************************************* //
diff --git a/src/lagrangian/molecularDynamics/old/molecularMeasurements/bufferedAccumulator/bufferedAccumulator.H b/src/lagrangian/molecularDynamics/old/molecularMeasurements/bufferedAccumulator/bufferedAccumulator.H
deleted file mode 100644
index 8d462902f4..0000000000
--- a/src/lagrangian/molecularDynamics/old/molecularMeasurements/bufferedAccumulator/bufferedAccumulator.H
+++ /dev/null
@@ -1,176 +0,0 @@
-/*---------------------------------------------------------------------------*\
-  =========                 |
-  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
-   \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 2011 OpenFOAM Foundation
-     \\/     M anipulation  |
--------------------------------------------------------------------------------
-License
-    This file is part of OpenFOAM.
-
-    OpenFOAM is free software: you can redistribute it and/or modify it
-    under the terms of the GNU General Public License as published by
-    the Free Software Foundation, either version 3 of the License, or
-    (at your option) any later version.
-
-    OpenFOAM is distributed in the hope that it will be useful, but WITHOUT
-    ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
-    FITNESS FOR A PARTICULAR PURPOSE.  See the GNU General Public License
-    for more details.
-
-    You should have received a copy of the GNU General Public License
-    along with OpenFOAM.  If not, see <http://www.gnu.org/licenses/>.
-
-Class
-    Foam::bufferedAccumulator
-
-Description
-
-SourceFiles
-    bufferedAccumulatorI.H
-    bufferedAccumulator.C
-    bufferedAccumulatorIO.C
-
-\*---------------------------------------------------------------------------*/
-
-#ifndef bufferedAccumulator_H
-#define bufferedAccumulator_H
-
-#include "Field.H"
-
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-
-namespace Foam
-{
-
-template<class Type>
-class bufferedAccumulator;
-
-template<class Type>
-Ostream& operator<<
-(
-    Ostream&,
-    const bufferedAccumulator<Type>&
-);
-
-/*---------------------------------------------------------------------------*\
-                      Class bufferedAccumulator Declaration
-\*---------------------------------------------------------------------------*/
-
-template<class Type>
-class bufferedAccumulator
-:
-    public List< Field<Type> >
-{
-    // Private data
-
-        label averagesTaken_;
-
-        List<label> bufferOffsets_;
-
-
-    // Private Member Functions
-
-        inline Field<Type>& accumulationBuffer();
-
-        inline const Field<Type>& accumulationBuffer() const;
-
-        void accumulateAndResetBuffer(const label b);
-
-
-public:
-
-    //- Component type
-    typedef typename pTraits<Type>::cmptType cmptType;
-
-
-    // Static data members
-
-        static const char* const typeName;
-
-
-    // Constructors
-
-        //- Construct null
-        bufferedAccumulator();
-
-        //- Construct from components
-        bufferedAccumulator
-        (
-            const label nBuffers,
-            const label bufferLength,
-            const label bufferingInterval
-        );
-
-        //- Construct as copy
-        bufferedAccumulator(const bufferedAccumulator<Type>&);
-
-
-    //- Destructor
-    ~bufferedAccumulator();
-
-
-    // Member Functions
-
-        label addToBuffers(const List<Type>& valuesToAdd);
-
-        Field<Type> averaged() const;
-
-        void resetAveraging();
-
-
-        // Access
-
-            inline label averagesTaken() const;
-
-            inline label nBuffers() const;
-
-            inline label bufferLength() const;
-
-            inline const List<label>& bufferOffsets() const;
-
-
-        // Edit
-
-            void setSizes
-            (
-                const label nBuffers,
-                const label bufferLength,
-                const label bufferingInterval
-            );
-
-
-    // Member Operators
-
-        void operator=(const bufferedAccumulator<Type>&);
-
-
-    // IOstream Operators
-
-        friend Ostream& operator<< <Type>
-        (
-            Ostream&,
-            const bufferedAccumulator<Type>&
-        );
-};
-
-
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-
-} // End namespace Foam
-
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-
-#include "bufferedAccumulatorI.H"
-
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-
-#ifdef NoRepository
-#   include "bufferedAccumulator.C"
-#endif
-
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-
-#endif
-
-// ************************************************************************* //
diff --git a/src/lagrangian/molecularDynamics/old/molecularMeasurements/bufferedAccumulator/bufferedAccumulatorI.H b/src/lagrangian/molecularDynamics/old/molecularMeasurements/bufferedAccumulator/bufferedAccumulatorI.H
deleted file mode 100644
index 303b2e5ec0..0000000000
--- a/src/lagrangian/molecularDynamics/old/molecularMeasurements/bufferedAccumulator/bufferedAccumulatorI.H
+++ /dev/null
@@ -1,79 +0,0 @@
-/*---------------------------------------------------------------------------*\
-  =========                 |
-  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
-   \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 2011 OpenFOAM Foundation
-     \\/     M anipulation  |
--------------------------------------------------------------------------------
-License
-    This file is part of OpenFOAM.
-
-    OpenFOAM is free software: you can redistribute it and/or modify it
-    under the terms of the GNU General Public License as published by
-    the Free Software Foundation, either version 3 of the License, or
-    (at your option) any later version.
-
-    OpenFOAM is distributed in the hope that it will be useful, but WITHOUT
-    ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
-    FITNESS FOR A PARTICULAR PURPOSE.  See the GNU General Public License
-    for more details.
-
-    You should have received a copy of the GNU General Public License
-    along with OpenFOAM.  If not, see <http://www.gnu.org/licenses/>.
-
-\*---------------------------------------------------------------------------*/
-
-namespace Foam
-{
-
-// * * * * * * * * * * * * * Private Member Functions  * * * * * * * * * * * //
-
-template<class Type>
-inline Field<Type>& bufferedAccumulator<Type>::accumulationBuffer()
-{
-    return (*this)[nBuffers()];
-}
-
-
-template<class Type>
-inline const Field<Type>& bufferedAccumulator<Type>::accumulationBuffer() const
-{
-    return (*this)[nBuffers()];
-}
-
-
-// * * * * * * * * * * * * * * * Member Functions  * * * * * * * * * * * * * //
-
-template<class Type>
-inline label bufferedAccumulator<Type>::averagesTaken() const
-{
-    return averagesTaken_;
-}
-
-
-template<class Type>
-inline label bufferedAccumulator<Type>::nBuffers() const
-{
-    return bufferOffsets_.size();
-}
-
-
-template<class Type>
-inline label bufferedAccumulator<Type>::bufferLength() const
-{
-    return (*this)[0].size();
-}
-
-
-template<class Type>
-inline const List<label>& bufferedAccumulator<Type>::bufferOffsets() const
-{
-    return bufferOffsets_;
-}
-
-
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-
-} // End namespace Foam
-
-// ************************************************************************* //
diff --git a/src/lagrangian/molecularDynamics/old/molecularMeasurements/bufferedAccumulator/bufferedAccumulatorIO.C b/src/lagrangian/molecularDynamics/old/molecularMeasurements/bufferedAccumulator/bufferedAccumulatorIO.C
deleted file mode 100644
index 247fe3d37d..0000000000
--- a/src/lagrangian/molecularDynamics/old/molecularMeasurements/bufferedAccumulator/bufferedAccumulatorIO.C
+++ /dev/null
@@ -1,51 +0,0 @@
-/*---------------------------------------------------------------------------*\
-  =========                 |
-  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
-   \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 2011 OpenFOAM Foundation
-     \\/     M anipulation  |
--------------------------------------------------------------------------------
-License
-    This file is part of OpenFOAM.
-
-    OpenFOAM is free software: you can redistribute it and/or modify it
-    under the terms of the GNU General Public License as published by
-    the Free Software Foundation, either version 3 of the License, or
-    (at your option) any later version.
-
-    OpenFOAM is distributed in the hope that it will be useful, but WITHOUT
-    ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
-    FITNESS FOR A PARTICULAR PURPOSE.  See the GNU General Public License
-    for more details.
-
-    You should have received a copy of the GNU General Public License
-    along with OpenFOAM.  If not, see <http://www.gnu.org/licenses/>.
-
-\*---------------------------------------------------------------------------*/
-
-#include "bufferedAccumulator.H"
-#include "IOstreams.H"
-
-// * * * * * * * * * * * * * * * IOstream Operators  * * * * * * * * * * * * //
-
-template<class Type>
-Foam::Ostream&
-Foam::operator<<(Ostream& os, const bufferedAccumulator<Type>& bA)
-{
-
-    os  << bA.averagesTaken_
-        << static_cast<const List< Field<Type> >&>(bA)
-        << bA.bufferOffsets();
-
-    // Check state of Ostream
-    os.check
-    (
-        "Foam::Ostream& Foam::operator<<(Foam::Ostream&, "
-        "const Foam::bufferedAccumulator&)"
-    );
-
-    return os;
-}
-
-
-// ************************************************************************* //
diff --git a/src/lagrangian/molecularDynamics/old/molecularMeasurements/correlationFunction/correlationFunction.C b/src/lagrangian/molecularDynamics/old/molecularMeasurements/correlationFunction/correlationFunction.C
deleted file mode 100644
index 0928783a53..0000000000
--- a/src/lagrangian/molecularDynamics/old/molecularMeasurements/correlationFunction/correlationFunction.C
+++ /dev/null
@@ -1,223 +0,0 @@
-/*---------------------------------------------------------------------------*\
-  =========                 |
-  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
-   \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 2011 OpenFOAM Foundation
-     \\/     M anipulation  |
--------------------------------------------------------------------------------
-License
-    This file is part of OpenFOAM.
-
-    OpenFOAM is free software: you can redistribute it and/or modify it
-    under the terms of the GNU General Public License as published by
-    the Free Software Foundation, either version 3 of the License, or
-    (at your option) any later version.
-
-    OpenFOAM is distributed in the hope that it will be useful, but WITHOUT
-    ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
-    FITNESS FOR A PARTICULAR PURPOSE.  See the GNU General Public License
-    for more details.
-
-    You should have received a copy of the GNU General Public License
-    along with OpenFOAM.  If not, see <http://www.gnu.org/licenses/>.
-
-\*---------------------------------------------------------------------------*/
-
-#include "correlationFunction.H"
-
-// * * * * * * * * * * * * * * Static Data Members * * * * * * * * * * * * * //
-
-template<class Type>
-const char* const
-    Foam::correlationFunction<Type>::typeName("correlationFunction");
-
-
-// * * * * * * * * * * * * * Private Member Functions  * * * * * * * * * * * //
-
-template<class Type>
-void Foam::correlationFunction<Type>::setTimesAndSizes
-(
-    const label tZeroBufferSize
-)
-{
-    sampleSteps_  = ceil(sampleInterval_/mesh_.time().deltaTValue());
-
-    sampleInterval_ = sampleSteps_*mesh_.time().deltaTValue();
-
-    label bufferLength(ceil(duration_/sampleInterval_));
-
-    duration_ = bufferLength*sampleInterval_;
-
-    label bufferingInterval(ceil(averagingInterval_/sampleInterval_));
-
-    averagingInterval_ = bufferingInterval*sampleInterval_;
-
-    label nBuffers(ceil(duration_/averagingInterval_));
-
-    this->setSizes
-    (
-        nBuffers,
-        bufferLength,
-        bufferingInterval
-    );
-
-    tZeroBuffers_ =
-        Field< Field<Type> >
-        (
-            nBuffers,
-            Field<Type>
-            (
-                tZeroBufferSize,
-                pTraits<Type>::zero
-            )
-        );
-}
-
-
-// * * * * * * * * * * * * * * * * Constructors  * * * * * * * * * * * * * * //
-
-template<class Type>
-Foam::correlationFunction<Type>::correlationFunction
-(
-    const polyMesh& mesh,
-    const dictionary& cfDict,
-    const label tZeroBufferSize
-)
-:
-    bufferedAccumulator<scalar>(),
-    mesh_(mesh)
-{
-    duration_ = readScalar(cfDict.lookup("duration"));
-
-    sampleInterval_ = readScalar(cfDict.lookup("sampleInterval"));
-
-    averagingInterval_ = readScalar(cfDict.lookup("averagingInterval"));
-
-    setTimesAndSizes(tZeroBufferSize);
-}
-
-
-template<class Type>
-Foam::correlationFunction<Type>::correlationFunction
-(
-    const polyMesh& mesh,
-    const label tZeroBufferSize,
-    const scalar duration,
-    const scalar sampleInterval,
-    const scalar averagingInterval
-)
-:
-    bufferedAccumulator<scalar>(),
-    mesh_(mesh),
-    duration_(duration),
-    sampleInterval_(sampleInterval),
-    averagingInterval_(averagingInterval)
-{
-    setTimesAndSizes(tZeroBufferSize);
-}
-
-
-// * * * * * * * * * * * * * * * * Destructor  * * * * * * * * * * * * * * * //
-
-template<class Type>
-Foam::correlationFunction<Type>::~correlationFunction()
-{}
-
-
-// * * * * * * * * * * * * * * * Member Functions  * * * * * * * * * * * * * //
-
-template<class Type>
-void Foam::correlationFunction<Type>::calculateCorrelationFunction
-(
-    const Field<Type>& currentValues
-)
-{
-    if (measurandFieldSize() != currentValues.size())
-    {
-        FatalErrorIn("correlationFunction<Type>::calculateCorrelationFunction")
-            << "Trying to supply a Field of length"
-            << currentValues.size()
-            << " to calculate the correlation function. "
-            << "Expecting a Field of length "
-            << measurandFieldSize() << nl
-            << abort(FatalError);
-    }
-
-    List<scalar> cFSums(nBuffers(),0.0);
-
-    forAll(tZeroBuffers_, tZB)
-    {
-        scalar& cFSum = cFSums[tZB];
-
-        const Field<Type>& tZeroBuffer = tZeroBuffers_[tZB];
-
-        forAll(currentValues, cV)
-        {
-            const Type& tZeroBufferValue = tZeroBuffer[cV];
-
-            const Type& currentValue = currentValues[cV];
-
-            forAll(currentValue, component)
-            {
-                cFSum +=
-                (
-                    tZeroBufferValue[component]*currentValue[component]
-                );
-            }
-        }
-
-        cFSum /= (measurandFieldSize()*currentValues[0].size());
-    }
-
-    label bufferToRefill = addToBuffers(cFSums);
-
-    if (bufferToRefill != -1)
-    {
-        tZeroBuffers_[bufferToRefill] = currentValues;
-    }
-}
-
-
-template<class Type>
-void Foam::correlationFunction<Type>::calculateCorrelationFunction
-(
-    const Type& currentValue
-)
-{
-    if (measurandFieldSize() != 1)
-    {
-        FatalErrorIn("correlationFunction<Type>::calculateCorrelationFunction")
-            << "Trying to supply a single value to calculate the correlation "
-            << "function.  Expecting a Field of length "
-            << measurandFieldSize()
-            << abort(FatalError);
-    }
-
-    calculateCorrelationFunction(Field<Type>(1, currentValue));
-}
-
-
-template<class Type>
-Foam::scalar Foam::correlationFunction<Type>::integral() const
-{
-    Field<scalar> averageCF(averaged());
-
-    scalar cFIntegral = 0.0;
-
-    for (label v = 0; v < averageCF.size() - 1; v++)
-    {
-        cFIntegral +=
-            0.5
-           *sampleInterval_
-           *(averageCF[v+1] + averageCF[v]);
-    }
-
-    return cFIntegral;
-}
-
-
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-
-#   include "correlationFunctionIO.C"
-
-// ************************************************************************* //
diff --git a/src/lagrangian/molecularDynamics/old/molecularMeasurements/correlationFunction/correlationFunction.H b/src/lagrangian/molecularDynamics/old/molecularMeasurements/correlationFunction/correlationFunction.H
deleted file mode 100644
index 0c02e412df..0000000000
--- a/src/lagrangian/molecularDynamics/old/molecularMeasurements/correlationFunction/correlationFunction.H
+++ /dev/null
@@ -1,181 +0,0 @@
-/*---------------------------------------------------------------------------*\
-  =========                 |
-  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
-   \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 2011 OpenFOAM Foundation
-     \\/     M anipulation  |
--------------------------------------------------------------------------------
-License
-    This file is part of OpenFOAM.
-
-    OpenFOAM is free software: you can redistribute it and/or modify it
-    under the terms of the GNU General Public License as published by
-    the Free Software Foundation, either version 3 of the License, or
-    (at your option) any later version.
-
-    OpenFOAM is distributed in the hope that it will be useful, but WITHOUT
-    ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
-    FITNESS FOR A PARTICULAR PURPOSE.  See the GNU General Public License
-    for more details.
-
-    You should have received a copy of the GNU General Public License
-    along with OpenFOAM.  If not, see <http://www.gnu.org/licenses/>.
-
-Class
-    Foam::correlationFunction
-
-Description
-
-SourceFiles
-    correlationFunctionI.H
-    correlationFunction.C
-    correlationFunctionIO.C
-
-\*---------------------------------------------------------------------------*/
-
-#ifndef correlationFunction_H
-#define correlationFunction_H
-
-#include "bufferedAccumulator.H"
-#include "dictionary.H"
-
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-
-namespace Foam
-{
-
-template<class Type>
-class correlationFunction;
-
-template<class Type>
-Ostream& operator<<
-(
-    Ostream&,
-    const correlationFunction<Type>&
-);
-
-/*---------------------------------------------------------------------------*\
-                    Class correlationFunction Declaration
-\*---------------------------------------------------------------------------*/
-
-template<class Type>
-class correlationFunction
-:
-    public bufferedAccumulator<scalar>
-{
-    // Private data
-
-        const polyMesh& mesh_;
-
-        Field< Field<Type> > tZeroBuffers_;
-
-        scalar duration_;
-        scalar sampleInterval_;
-        scalar averagingInterval_;
-
-        label sampleSteps_;
-
-
-    // Private Member Functions
-
-        void setTimesAndSizes(const label);
-
-        //- Disallow default bitwise copy construct
-        correlationFunction(const correlationFunction<Type>&);
-
-        //- Disallow default bitwise assignment
-        void operator=(const correlationFunction<Type>&);
-
-
-public:
-
-    //- Component type
-    typedef typename pTraits<Type>::cmptType cmptType;
-
-
-    // Static data members
-
-        static const char* const typeName;
-
-
-    // Constructors
-
-        //- Construct from dictionary
-        correlationFunction
-        (
-            const polyMesh&,
-            const dictionary&,
-            const label tZeroBufferSize
-        );
-
-        //- Construct from components
-        correlationFunction
-        (
-            const polyMesh&,
-            const label tZeroBufferSize,
-            const scalar duration,
-            const scalar sampleInterval,
-            const scalar averagingInterval
-
-        );
-
-
-    //- Destructor
-    ~correlationFunction();
-
-
-    // Member Functions
-
-        void calculateCorrelationFunction(const Field<Type>&);
-
-        void calculateCorrelationFunction(const Type&);
-
-        scalar integral() const;
-
-        bool writeAveraged(Ostream&) const;
-
-
-    // Access
-
-        inline const Field< Field<Type> >& tZeroBuffers() const;
-
-        inline scalar duration() const;
-
-        inline scalar sampleInterval() const;
-
-        inline scalar averagingInterval() const;
-
-        inline label sampleSteps() const;
-
-        inline label measurandFieldSize() const;
-
-
-    // IOstream Operators
-
-        friend Ostream& operator<< <Type>
-        (
-            Ostream&,
-            const correlationFunction<Type>&
-        );
-};
-
-
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-
-} // End namespace Foam
-
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-
-#include "correlationFunctionI.H"
-
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-
-#ifdef NoRepository
-#   include "correlationFunction.C"
-#endif
-
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-
-#endif
-
-// ************************************************************************* //
diff --git a/src/lagrangian/molecularDynamics/old/molecularMeasurements/correlationFunction/correlationFunctionI.H b/src/lagrangian/molecularDynamics/old/molecularMeasurements/correlationFunction/correlationFunctionI.H
deleted file mode 100644
index c3296a928a..0000000000
--- a/src/lagrangian/molecularDynamics/old/molecularMeasurements/correlationFunction/correlationFunctionI.H
+++ /dev/null
@@ -1,69 +0,0 @@
-/*---------------------------------------------------------------------------*\
-  =========                 |
-  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
-   \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 2011 OpenFOAM Foundation
-     \\/     M anipulation  |
--------------------------------------------------------------------------------
-License
-    This file is part of OpenFOAM.
-
-    OpenFOAM is free software: you can redistribute it and/or modify it
-    under the terms of the GNU General Public License as published by
-    the Free Software Foundation, either version 3 of the License, or
-    (at your option) any later version.
-
-    OpenFOAM is distributed in the hope that it will be useful, but WITHOUT
-    ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
-    FITNESS FOR A PARTICULAR PURPOSE.  See the GNU General Public License
-    for more details.
-
-    You should have received a copy of the GNU General Public License
-    along with OpenFOAM.  If not, see <http://www.gnu.org/licenses/>.
-
-\*---------------------------------------------------------------------------*/
-
-template<class Type>
-inline const Foam::Field< Foam::Field<Type> >&
-Foam::correlationFunction<Type>::tZeroBuffers() const
-{
-    return tZeroBuffers_;
-}
-
-
-template<class Type>
-inline Foam::scalar Foam::correlationFunction<Type>::duration() const
-{
-    return duration_;
-}
-
-
-template<class Type>
-inline Foam::scalar Foam::correlationFunction<Type>::sampleInterval() const
-{
-    return sampleInterval_;
-}
-
-
-template<class Type>
-inline Foam::scalar Foam::correlationFunction<Type>::averagingInterval() const
-{
-    return averagingInterval_;
-}
-
-
-template<class Type>
-inline Foam::label Foam::correlationFunction<Type>::sampleSteps() const
-{
-    return sampleSteps_;
-}
-
-
-template<class Type>
-inline Foam::label Foam::correlationFunction<Type>::measurandFieldSize() const
-{
-    return tZeroBuffers_[0].size();
-}
-
-
-// ************************************************************************* //
diff --git a/src/lagrangian/molecularDynamics/old/molecularMeasurements/correlationFunction/correlationFunctionIO.C b/src/lagrangian/molecularDynamics/old/molecularMeasurements/correlationFunction/correlationFunctionIO.C
deleted file mode 100644
index 63d7b68c88..0000000000
--- a/src/lagrangian/molecularDynamics/old/molecularMeasurements/correlationFunction/correlationFunctionIO.C
+++ /dev/null
@@ -1,71 +0,0 @@
-/*---------------------------------------------------------------------------*\
-  =========                 |
-  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
-   \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 2011 OpenFOAM Foundation
-     \\/     M anipulation  |
--------------------------------------------------------------------------------
-License
-    This file is part of OpenFOAM.
-
-    OpenFOAM is free software: you can redistribute it and/or modify it
-    under the terms of the GNU General Public License as published by
-    the Free Software Foundation, either version 3 of the License, or
-    (at your option) any later version.
-
-    OpenFOAM is distributed in the hope that it will be useful, but WITHOUT
-    ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
-    FITNESS FOR A PARTICULAR PURPOSE.  See the GNU General Public License
-    for more details.
-
-    You should have received a copy of the GNU General Public License
-    along with OpenFOAM.  If not, see <http://www.gnu.org/licenses/>.
-
-\*---------------------------------------------------------------------------*/
-
-#include "correlationFunction.H"
-#include "IOstreams.H"
-
-template<class Type>
-bool Foam::correlationFunction<Type>::writeAveraged(Ostream& os) const
-{
-    Field<scalar> averageCF(averaged());
-
-    forAll(averageCF, v)
-    {
-        os  << v*sampleInterval()
-            << token::SPACE
-            << averageCF[v]
-            << nl;
-    }
-
-    return os.good();
-}
-
-
-template<class Type>
-Foam::Ostream& Foam::operator<<
-(
-    Ostream& os,
-    const correlationFunction<Type>& cF
-)
-{
-    os  << cF.duration()
-        << nl << cF.sampleInterval()
-        << nl << cF.averagingInterval()
-        << nl << cF.sampleSteps()
-        << nl << cF.tZeroBuffers()
-        << nl << static_cast<const bufferedAccumulator<scalar>&>(cF);
-
-    // Check state of Ostream
-    os.check
-    (
-        "Foam::Ostream& Foam::operator<<"
-        "(Ostream&, const correlationFunction<Type>&)"
-    );
-
-    return os;
-}
-
-
-// ************************************************************************* //
diff --git a/src/lagrangian/molecularDynamics/old/molecularMeasurements/distribution/distribution.C b/src/lagrangian/molecularDynamics/old/molecularMeasurements/distribution/distribution.C
deleted file mode 100644
index 2089fb0e07..0000000000
--- a/src/lagrangian/molecularDynamics/old/molecularMeasurements/distribution/distribution.C
+++ /dev/null
@@ -1,478 +0,0 @@
-/*---------------------------------------------------------------------------*\
-  =========                 |
-  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
-   \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 2011 OpenFOAM Foundation
-     \\/     M anipulation  |
--------------------------------------------------------------------------------
-License
-    This file is part of OpenFOAM.
-
-    OpenFOAM is free software: you can redistribute it and/or modify it
-    under the terms of the GNU General Public License as published by
-    the Free Software Foundation, either version 3 of the License, or
-    (at your option) any later version.
-
-    OpenFOAM is distributed in the hope that it will be useful, but WITHOUT
-    ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
-    FITNESS FOR A PARTICULAR PURPOSE.  See the GNU General Public License
-    for more details.
-
-    You should have received a copy of the GNU General Public License
-    along with OpenFOAM.  If not, see <http://www.gnu.org/licenses/>.
-
-\*----------------------------------------------------------------------------*/
-
-#include "distribution.H"
-#include "OFstream.H"
-
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-
-namespace Foam
-{
-    defineTypeNameAndDebug(distribution, 0);
-}
-
-// * * * * * * * * * * * * * Static Member Functions * * * * * * * * * * * * //
-
-void Foam::distribution::write
-(
-    const fileName& file,
-    const List<Pair<scalar> >& pairs
-)
-{
-    OFstream os(file);
-
-    forAll(pairs, i)
-    {
-        os  << pairs[i].first() << ' ' << pairs[i].second() << nl;
-    }
-}
-
-
-// * * * * * * * * * * * * * * * * Constructors  * * * * * * * * * * * * * * //
-
-Foam::distribution::distribution()
-:
-    Map<label>(),
-    binWidth_(1)
-{}
-
-
-Foam::distribution::distribution(const scalar binWidth)
-:
-    Map<label>(),
-    binWidth_(binWidth)
-{}
-
-
-Foam::distribution::distribution(const distribution& d)
-:
-    Map<label>(static_cast< Map<label> >(d)),
-    binWidth_(d.binWidth())
-{}
-
-
-// * * * * * * * * * * * * * * * * Destructor  * * * * * * * * * * * * * * * //
-
-Foam::distribution::~distribution()
-{}
-
-
-// * * * * * * * * * * * * * * * Member Functions  * * * * * * * * * * * * * //
-
-Foam::label Foam::distribution::totalEntries() const
-{
-    label sumOfEntries = 0;
-
-    forAllConstIter(Map<label>, *this, iter)
-    {
-        sumOfEntries += iter();
-
-        if (sumOfEntries < 0)
-        {
-            WarningIn("label distribution::totalEntries()")
-                << "Accumulated distribution values total has become negative: "
-                << "sumOfEntries = " << sumOfEntries
-                << ". This is most likely to be because too many samples "
-                << "have been added to the bins and the label has 'rolled "
-                << "round'. Try distribution::approxTotalEntries which "
-                << "returns a scalar." << endl;
-
-            sumOfEntries = -1;
-
-            break;
-        }
-    }
-
-    return sumOfEntries;
-}
-
-
-Foam::scalar Foam::distribution::approxTotalEntries() const
-{
-    scalar sumOfEntries = 0;
-
-    forAllConstIter(Map<label>, *this, iter)
-    {
-        sumOfEntries += scalar(iter());
-    }
-
-    return sumOfEntries;
-}
-
-
-Foam::scalar Foam::distribution::mean() const
-{
-    scalar runningSum = 0;
-
-    scalar totEnt = approxTotalEntries();
-
-    List<label> keys = toc();
-
-    forAll(keys,k)
-    {
-        label key = keys[k];
-
-        runningSum +=
-            (0.5 + scalar(key))
-           *binWidth_
-           *scalar((*this)[key])
-           /totEnt;
-    }
-
-    return runningSum;
-}
-
-
-Foam::scalar Foam::distribution::median()
-{
-    // From:
-    // http://mathworld.wolfram.com/StatisticalMedian.html
-    // The statistical median is the value of the distribution variable
-    // where the cumulative distribution = 0.5.
-
-    scalar median = 0.0;
-
-    scalar runningSum = 0.0;
-
-    List<Pair<scalar> > normDist(normalised());
-
-    if (normDist.size())
-    {
-        if (normDist.size() == 1)
-        {
-            median = normDist[0].first();
-        }
-        else if
-        (
-            normDist.size() > 1
-         && normDist[0].second()*binWidth_ > 0.5
-        )
-        {
-            scalar xk = normDist[1].first();
-            scalar xkm1 = normDist[0].first();
-            scalar Sk =
-                (normDist[0].second() + normDist[1].second())*binWidth_;
-            scalar Skm1 = normDist[0].second()*binWidth_;
-
-            median = (0.5 - Skm1)*(xk - xkm1)/(Sk - Skm1) + xkm1;
-        }
-        else
-        {
-            label lastNonZeroIndex = 0;
-
-            forAll(normDist,nD)
-            {
-                if (runningSum + (normDist[nD].second()*binWidth_) > 0.5)
-                {
-                    scalar xk = normDist[nD].first();
-                    scalar xkm1 = normDist[lastNonZeroIndex].first();
-                    scalar Sk = runningSum + (normDist[nD].second()*binWidth_);
-                    scalar Skm1 = runningSum;
-
-                    median = (0.5 - Skm1)*(xk - xkm1)/(Sk - Skm1) + xkm1;
-
-                    break;
-                }
-                else if (normDist[nD].second() > 0.0)
-                {
-                    runningSum += normDist[nD].second()*binWidth_;
-
-                    lastNonZeroIndex = nD;
-                }
-            }
-        }
-    }
-
-    return median;
-}
-
-
-void Foam::distribution::add(const scalar valueToAdd)
-{
-    iterator iter(this->begin());
-
-    label n = label(valueToAdd/binWidth_) - label(neg(valueToAdd/binWidth_));
-
-    iter = find(n);
-
-    if (iter == this->end())
-    {
-        this->insert(n,1);
-    }
-    else
-    {
-        (*this)[n]++;
-    }
-
-    if ((*this)[n] < 0)
-    {
-        FatalErrorIn("distribution::add(const scalar valueToAdd)")
-            << "Accumulated distribution value has become negative: "
-            << "bin = " << (0.5 + scalar(n)) * binWidth_
-            << ", value = " << (*this)[n]
-            << ". This is most likely to be because too many samples "
-            << "have been added to a bin and the label has 'rolled round'"
-            << abort(FatalError);
-    }
-}
-
-
-void Foam::distribution::add(const label valueToAdd)
-{
-    add(scalar(valueToAdd));
-}
-
-
-void Foam::distribution::insertMissingKeys()
-{
-    iterator iter(this->begin());
-
-    List<label> keys = toc();
-
-    sort(keys);
-
-    if (keys.size())
-    {
-        for (label k = keys[0]; k < keys.last(); k++)
-        {
-            iter = find(k);
-
-            if (iter == this->end())
-            {
-                this->insert(k,0);
-            }
-        }
-    }
-}
-
-
-Foam::List<Foam::Pair<Foam::scalar> > Foam::distribution::normalised()
-{
-    scalar totEnt = approxTotalEntries();
-
-    insertMissingKeys();
-
-    List<label> keys = toc();
-
-    sort(keys);
-
-    List<Pair<scalar> > normDist(size());
-
-    forAll(keys,k)
-    {
-        label key = keys[k];
-
-        normDist[k].first() = (0.5 + scalar(key))*binWidth_;
-
-        normDist[k].second() = scalar((*this)[key])/totEnt/binWidth_;
-    }
-
-    if (debug)
-    {
-        Info<< "totEnt: " << totEnt << endl;
-    }
-
-    return normDist;
-}
-
-
-Foam::List<Foam::Pair<Foam::scalar> > Foam::distribution::normalisedMinusMean()
-{
-    return normalisedShifted(mean());
-}
-
-
-Foam::List<Foam::Pair<Foam::scalar> > Foam::distribution::normalisedShifted
-(
-    scalar shiftValue
-)
-{
-    List<Pair<scalar> > oldDist(normalised());
-
-    List<Pair<scalar> > newDist(oldDist.size());
-
-    forAll(oldDist,u)
-    {
-        oldDist[u].first() -= shiftValue;
-    }
-
-    scalar lowestOldBin = oldDist[0].first()/binWidth_ - 0.5;
-
-    label lowestNewKey = label
-    (
-        lowestOldBin + 0.5*sign(lowestOldBin)
-    );
-
-    scalar interpolationStartDirection =
-        sign(scalar(lowestNewKey) - lowestOldBin);
-
-    label newKey = lowestNewKey;
-
-    if (debug)
-    {
-        Info<< shiftValue
-            << nl << lowestOldBin
-            << nl << lowestNewKey
-            << nl << interpolationStartDirection
-            << endl;
-
-        scalar checkNormalisation = 0;
-
-        forAll(oldDist, oD)
-        {
-            checkNormalisation += oldDist[oD].second()*binWidth_;
-        }
-
-        Info<< "Initial normalisation = " << checkNormalisation << endl;
-    }
-
-    forAll(oldDist,u)
-    {
-        newDist[u].first() = (0.5 + scalar(newKey)) * binWidth_;
-
-        if (interpolationStartDirection < 0)
-        {
-            if (u == 0)
-            {
-                newDist[u].second() =
-                    (0.5 + scalar(newKey))*oldDist[u].second()
-                  - oldDist[u].second()
-                        *(oldDist[u].first() - binWidth_)/ binWidth_;
-            }
-            else
-            {
-                newDist[u].second() =
-                    (0.5 + scalar(newKey))
-                   *(oldDist[u].second() - oldDist[u-1].second())
-                  +
-                    (
-                        oldDist[u-1].second()*oldDist[u].first()
-                      - oldDist[u].second()*oldDist[u-1].first()
-                    )
-                    /binWidth_;
-            }
-        }
-        else
-        {
-            if (u == oldDist.size() - 1)
-            {
-                newDist[u].second() =
-                    (0.5 + scalar(newKey))*-oldDist[u].second()
-                  + oldDist[u].second()*(oldDist[u].first() + binWidth_)
-                   /binWidth_;
-            }
-            else
-            {
-                newDist[u].second() =
-                    (0.5 + scalar(newKey))
-                   *(oldDist[u+1].second() - oldDist[u].second())
-                  +
-                    (
-                        oldDist[u].second()*oldDist[u+1].first()
-                      - oldDist[u+1].second()*oldDist[u].first()
-                    )
-                   /binWidth_;
-            }
-        }
-
-        newKey++;
-    }
-
-    if (debug)
-    {
-        scalar checkNormalisation = 0;
-
-        forAll(newDist, nD)
-        {
-            checkNormalisation += newDist[nD].second()*binWidth_;
-        }
-
-        Info<< "Shifted normalisation = " << checkNormalisation << endl;
-    }
-
-    return newDist;
-}
-
-
-Foam::List<Foam::Pair<Foam::scalar> > Foam::distribution::raw()
-{
-    insertMissingKeys();
-
-    List<label> keys = toc();
-
-    sort(keys);
-
-    List<Pair<scalar> > rawDist(size());
-
-    forAll(keys,k)
-    {
-        label key = keys[k];
-
-        rawDist[k].first() = (0.5 + scalar(key))*binWidth_;
-
-        rawDist[k].second() = scalar((*this)[key]);
-    }
-
-    return rawDist;
-}
-
-
-// * * * * * * * * * * * * * * * Member Operators  * * * * * * * * * * * * * //
-
-void Foam::distribution::operator=(const distribution& rhs)
-{
-    // Check for assignment to self
-    if (this == &rhs)
-    {
-        FatalErrorIn("distribution::operator=(const distribution&)")
-            << "Attempted assignment to self"
-            << abort(FatalError);
-    }
-
-    Map<label>::operator=(rhs);
-
-    binWidth_ = rhs.binWidth();
-}
-
-
-// * * * * * * * * * * * * * * * Friend Operators  * * * * * * * * * * * * * //
-
-Foam::Ostream& Foam::operator<<(Ostream& os, const distribution& d)
-{
-    os  << d.binWidth_
-        << static_cast<const Map<label>&>(d);
-
-    // Check state of Ostream
-    os.check
-    (
-        "Ostream& operator<<(Ostream&, "
-        "const distribution&)"
-    );
-
-    return os;
-}
-
-
-// ************************************************************************* //
diff --git a/src/lagrangian/molecularDynamics/old/molecularMeasurements/distribution/distribution.H b/src/lagrangian/molecularDynamics/old/molecularMeasurements/distribution/distribution.H
deleted file mode 100644
index 7897c034ec..0000000000
--- a/src/lagrangian/molecularDynamics/old/molecularMeasurements/distribution/distribution.H
+++ /dev/null
@@ -1,148 +0,0 @@
-/*---------------------------------------------------------------------------*\
-  =========                 |
-  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
-   \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 2011 OpenFOAM Foundation
-     \\/     M anipulation  |
--------------------------------------------------------------------------------
-License
-    This file is part of OpenFOAM.
-
-    OpenFOAM is free software: you can redistribute it and/or modify it
-    under the terms of the GNU General Public License as published by
-    the Free Software Foundation, either version 3 of the License, or
-    (at your option) any later version.
-
-    OpenFOAM is distributed in the hope that it will be useful, but WITHOUT
-    ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
-    FITNESS FOR A PARTICULAR PURPOSE.  See the GNU General Public License
-    for more details.
-
-    You should have received a copy of the GNU General Public License
-    along with OpenFOAM.  If not, see <http://www.gnu.org/licenses/>.
-
-Class
-    Foam::distribution
-
-Description
-    Accumulating histogram of values.  Specified bin resolution
-    automatic generation of bins.
-
-SourceFiles
-    distributionI.H
-    distribution.C
-
-\*---------------------------------------------------------------------------*/
-
-#ifndef distribution_H
-#define distribution_H
-
-#include "Map.H"
-#include "Pair.H"
-
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-
-namespace Foam
-{
-
-/*---------------------------------------------------------------------------*\
-                        Class distribution Declaration
-\*---------------------------------------------------------------------------*/
-
-class distribution
-:
-    public Map<label>
-{
-    // Private data
-
-        scalar binWidth_;
-
-
-public:
-
-    //- Runtime type information
-
-        TypeName("distribution");
-
-    // Static functions
-
-        //- write to file
-
-            static void write
-            (
-                const fileName& file,
-                const List<Pair<scalar> >& pairs
-            );
-
-
-    // Constructors
-
-        //- Construct null
-        distribution();
-
-        //- Construct from binWidth
-        distribution(const scalar binWidth);
-
-        //- Construct as copy
-        distribution(const distribution&);
-
-
-    //- Destructor
-    virtual ~distribution();
-
-
-    // Member Functions
-
-        label totalEntries() const;
-
-        scalar approxTotalEntries() const;
-
-        scalar mean() const;
-
-        scalar median();
-
-        //- Add a value to the appropriate bin of the distribution.
-        void add(const scalar valueToAdd);
-
-        void add(const label valueToAdd);
-
-        void insertMissingKeys();
-
-        List<Pair<scalar> > normalised();
-
-        List<Pair<scalar> > normalisedMinusMean();
-
-        List<Pair<scalar> > normalisedShifted(scalar shiftValue);
-
-        List<Pair<scalar> > raw();
-
-
-        // Access
-
-            inline scalar binWidth() const;
-
-
-    // Member Operators
-
-        void operator=(const distribution&);
-
-
-    // IOstream Operators
-
-        friend Ostream& operator<<(Ostream&, const distribution&);
-};
-
-
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-
-} // End namespace Foam
-
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-
-#include "distributionI.H"
-
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-
-#endif
-
-// ************************************************************************* //
diff --git a/src/lagrangian/molecularDynamics/old/molecularMeasurements/distribution/distributionI.H b/src/lagrangian/molecularDynamics/old/molecularMeasurements/distribution/distributionI.H
deleted file mode 100644
index 81883e5820..0000000000
--- a/src/lagrangian/molecularDynamics/old/molecularMeasurements/distribution/distributionI.H
+++ /dev/null
@@ -1,34 +0,0 @@
-/*---------------------------------------------------------------------------*\
-  =========                 |
-  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
-   \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 2011 OpenFOAM Foundation
-     \\/     M anipulation  |
--------------------------------------------------------------------------------
-License
-    This file is part of OpenFOAM.
-
-    OpenFOAM is free software: you can redistribute it and/or modify it
-    under the terms of the GNU General Public License as published by
-    the Free Software Foundation, either version 3 of the License, or
-    (at your option) any later version.
-
-    OpenFOAM is distributed in the hope that it will be useful, but WITHOUT
-    ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
-    FITNESS FOR A PARTICULAR PURPOSE.  See the GNU General Public License
-    for more details.
-
-    You should have received a copy of the GNU General Public License
-    along with OpenFOAM.  If not, see <http://www.gnu.org/licenses/>.
-
-\*---------------------------------------------------------------------------*/
-
-// * * * * * * * * * * * * * * * Member Functions  * * * * * * * * * * * * * //
-
-inline Foam::scalar Foam::distribution::binWidth() const
-{
-    return binWidth_;
-}
-
-
-// ************************************************************************* //
diff --git a/src/lagrangian/molecularDynamics/old/reducedUnits/reducedUnits.C b/src/lagrangian/molecularDynamics/old/reducedUnits/reducedUnits.C
deleted file mode 100644
index 61c768c9fe..0000000000
--- a/src/lagrangian/molecularDynamics/old/reducedUnits/reducedUnits.C
+++ /dev/null
@@ -1,164 +0,0 @@
-/*---------------------------------------------------------------------------*\
-  =========                 |
-  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
-   \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 2011 OpenFOAM Foundation
-     \\/     M anipulation  |
--------------------------------------------------------------------------------
-License
-    This file is part of OpenFOAM.
-
-    OpenFOAM is free software: you can redistribute it and/or modify it
-    under the terms of the GNU General Public License as published by
-    the Free Software Foundation, either version 3 of the License, or
-    (at your option) any later version.
-
-    OpenFOAM is distributed in the hope that it will be useful, but WITHOUT
-    ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
-    FITNESS FOR A PARTICULAR PURPOSE.  See the GNU General Public License
-    for more details.
-
-    You should have received a copy of the GNU General Public License
-    along with OpenFOAM.  If not, see <http://www.gnu.org/licenses/>.
-
-\*---------------------------------------------------------------------------*/
-
-#include "reducedUnits.H"
-
-// * * * * * * * * * * * * * * Static Data Members * * * * * * * * * * * * * //
-
-const  Foam::scalar Foam::reducedUnits::kb = 1.3806504e-23;
-
-
-// * * * * * * * * * * * * * Private Member Functions  * * * * * * * * * * * //
-
-void Foam::reducedUnits::calcRefValues()
-{
-    if
-    (
-        refTime_ < VSMALL
-     || refLength_ < VSMALL
-     || refMass_ < VSMALL
-    )
-    {
-        FatalErrorIn("Foam::reducedUnits::calcRefValues() ")
-            << "One of more referencence values too small for floating point "
-            << "calculation: "
-            << "refTime_ = " << refTime_
-            << ", refLength = " << refTemp_
-            << ", refMass = " << refMass_
-            << nl << abort(FatalError);
-    }
-
-    refEnergy_ = refLength_*refLength_*refMass_/(refTime_*refTime_);
-
-    refTemp_ = refEnergy_ / kb;
-
-    refForce_ = refEnergy_/refLength_;
-
-    refVelocity_ = Foam::sqrt(refEnergy_/refMass_);
-
-    refVolume_ = Foam::pow(refLength_,3.0);
-
-    refPressure_ = refEnergy_/refVolume_;
-
-    refMassDensity_ = refMass_/refVolume_;
-
-    refNumberDensity_ = 1.0/refVolume_;
-}
-
-
-// * * * * * * * * * * * * * * * * Constructors  * * * * * * * * * * * * * * //
-
-Foam::reducedUnits::reducedUnits()
-:
-    refLength_(1e-9),
-    refTime_(1e-12),
-    refMass_(1.660538782e-27)
-{
-    calcRefValues();
-}
-
-
-Foam::reducedUnits::reducedUnits
-(
-    scalar refLength,
-    scalar refTime,
-    scalar refMass
-)
-:
-    refLength_(refLength),
-    refTime_(refTime),
-    refMass_(refMass)
-{
-    calcRefValues();
-}
-
-
-Foam::reducedUnits::reducedUnits(const IOdictionary& reducedUnitsDict)
-:
-    refLength_(),
-    refTime_(),
-    refMass_()
-{
-    setRefValues(reducedUnitsDict);
-}
-
-
-// * * * * * * * * * * * * * * * * Destructor  * * * * * * * * * * * * * * * //
-
-Foam::reducedUnits::~reducedUnits()
-{}
-
-
-// * * * * * * * * * * * * * * * Member Functions  * * * * * * * * * * * * * //
-
-void Foam::reducedUnits::setRefValues
-(
-    scalar refLength,
-    scalar refTime,
-    scalar refMass
-)
-{
-    refLength_ = refLength;
-
-    refTime_ = refTime;
-
-    refMass_ = refMass;
-
-    calcRefValues();
-}
-
-
-void Foam::reducedUnits::setRefValues
-(
-    const IOdictionary& reducedUnitsDict
-)
-{
-    refLength_ = readScalar(reducedUnitsDict.lookup("refLength"));
-
-    refTime_ = readScalar(reducedUnitsDict.lookup("refTime"));
-
-    refMass_  = readScalar(reducedUnitsDict.lookup("refMass"));
-
-    calcRefValues();
-}
-
-
-// * * * * * * * * * * * * * * * Member Operators  * * * * * * * * * * * * * //
-
-void Foam::reducedUnits::operator=(const reducedUnits& rhs)
-{
-    // Check for assignment to self
-    if (this == &rhs)
-    {
-        FatalErrorIn
-        (
-            "Foam::reducedUnits::operator=(const Foam::reducedUnits&)"
-        )   << "Attempted assignment to self"
-            << abort(FatalError);
-    }
-}
-
-
-// ************************************************************************* //
diff --git a/src/lagrangian/molecularDynamics/old/reducedUnits/reducedUnits.H b/src/lagrangian/molecularDynamics/old/reducedUnits/reducedUnits.H
deleted file mode 100644
index 8319bf50bc..0000000000
--- a/src/lagrangian/molecularDynamics/old/reducedUnits/reducedUnits.H
+++ /dev/null
@@ -1,182 +0,0 @@
-/*---------------------------------------------------------------------------*\
-  =========                 |
-  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
-   \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 2011 OpenFOAM Foundation
-     \\/     M anipulation  |
--------------------------------------------------------------------------------
-License
-    This file is part of OpenFOAM.
-
-    OpenFOAM is free software: you can redistribute it and/or modify it
-    under the terms of the GNU General Public License as published by
-    the Free Software Foundation, either version 3 of the License, or
-    (at your option) any later version.
-
-    OpenFOAM is distributed in the hope that it will be useful, but WITHOUT
-    ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
-    FITNESS FOR A PARTICULAR PURPOSE.  See the GNU General Public License
-    for more details.
-
-    You should have received a copy of the GNU General Public License
-    along with OpenFOAM.  If not, see <http://www.gnu.org/licenses/>.
-
-Class
-    Foam::reducedUnits
-
-Description
-
-SourceFiles
-    reducedUnitsI.H
-    reducedUnits.C
-    reducedUnitsIO.C
-
-\*---------------------------------------------------------------------------*/
-
-#ifndef reducedUnits_H
-#define reducedUnits_H
-
-#include "scalar.H"
-#include "IOdictionary.H"
-
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-
-namespace Foam
-{
-
-/*---------------------------------------------------------------------------*\
-                         Class reducedUnits Declaration
-\*---------------------------------------------------------------------------*/
-
-class reducedUnits
-{
-    // Private data
-
-        // Reduced units
-
-            // Fundamental values
-
-                scalar refLength_;
-
-                scalar refTime_;
-
-                scalar refMass_;
-
-            // Derived values
-
-                scalar refEnergy_;
-
-                scalar refTemp_;
-
-                scalar refForce_;
-
-                scalar refVelocity_;
-
-                scalar refVolume_;
-
-                scalar refPressure_;
-
-                scalar refMassDensity_;
-
-                scalar refNumberDensity_;
-
-
-    // Private Member Functions
-
-        void calcRefValues();
-
-        //- Disallow default bitwise copy construct
-        reducedUnits(const reducedUnits&);
-
-        //- Disallow default bitwise assignment
-        void operator=(const reducedUnits&);
-
-
-public:
-
-    // Static data members
-
-        //- Static data someStaticData
-        static const scalar kb;
-
-
-    // Constructors
-
-        //- Construct with no argument, uses default values:
-        //  length  = 1nm
-        //  mass = 1.660538782e-27kg (unified atomic mass unit)
-        //  temperature = 1K (therefore, energy = 1*kb)
-        reducedUnits();
-
-        //- Construct from components
-        reducedUnits
-        (
-            scalar refLength,
-            scalar refTime,
-            scalar refMass
-        );
-
-        //- Construct from dictionary
-        reducedUnits(const IOdictionary& reducedUnitsDict);
-
-
-    //- Destructor
-    ~reducedUnits();
-
-
-    // Member Functions
-
-        void setRefValues
-        (
-            scalar refLength,
-            scalar refTime,
-            scalar refMass
-        );
-
-        void setRefValues(const IOdictionary& reducedUnitsDict);
-
-
-        // Access
-
-            inline scalar refLength() const;
-
-            inline scalar refTime() const;
-
-            inline scalar refMass() const;
-
-            inline scalar refTemp() const;
-
-            inline scalar refEnergy() const;
-
-            inline scalar refForce() const;
-
-            inline scalar refVelocity() const;
-
-            inline scalar refVolume() const;
-
-            inline scalar refPressure() const;
-
-            inline scalar refMassDensity() const;
-
-            inline scalar refNumberDensity() const;
-
-
-    // IOstream Operators
-
-        friend Ostream& operator<<(Ostream&, const reducedUnits&);
-};
-
-
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-
-} // End namespace Foam
-
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-
-#include "reducedUnitsI.H"
-
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-
-#endif
-
-// ************************************************************************* //
diff --git a/src/lagrangian/molecularDynamics/old/reducedUnits/reducedUnitsI.H b/src/lagrangian/molecularDynamics/old/reducedUnits/reducedUnitsI.H
deleted file mode 100644
index 6144b7568c..0000000000
--- a/src/lagrangian/molecularDynamics/old/reducedUnits/reducedUnitsI.H
+++ /dev/null
@@ -1,94 +0,0 @@
-/*---------------------------------------------------------------------------*\
-  =========                 |
-  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
-   \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 2011 OpenFOAM Foundation
-     \\/     M anipulation  |
--------------------------------------------------------------------------------
-License
-    This file is part of OpenFOAM.
-
-    OpenFOAM is free software: you can redistribute it and/or modify it
-    under the terms of the GNU General Public License as published by
-    the Free Software Foundation, either version 3 of the License, or
-    (at your option) any later version.
-
-    OpenFOAM is distributed in the hope that it will be useful, but WITHOUT
-    ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
-    FITNESS FOR A PARTICULAR PURPOSE.  See the GNU General Public License
-    for more details.
-
-    You should have received a copy of the GNU General Public License
-    along with OpenFOAM.  If not, see <http://www.gnu.org/licenses/>.
-
-\*---------------------------------------------------------------------------*/
-
-// * * * * * * * * * * * * * * * Member Functions  * * * * * * * * * * * * * //
-
-inline Foam::scalar Foam::reducedUnits::refLength() const
-{
-    return refLength_;
-}
-
-
-inline Foam::scalar Foam::reducedUnits::refTime() const
-{
-    return refTime_;
-}
-
-
-inline Foam::scalar Foam::reducedUnits::refMass() const
-{
-    return refMass_;
-}
-
-
-inline Foam::scalar Foam::reducedUnits::refTemp() const
-{
-    return refTemp_;
-}
-
-
-inline Foam::scalar Foam::reducedUnits::refEnergy() const
-{
-    return refEnergy_;
-}
-
-
-inline Foam::scalar Foam::reducedUnits::refForce() const
-{
-    return refForce_;
-}
-
-
-inline Foam::scalar Foam::reducedUnits::refVelocity() const
-{
-    return refVelocity_;
-}
-
-
-inline Foam::scalar Foam::reducedUnits::refVolume() const
-{
-    return refVolume_;
-}
-
-
-inline Foam::scalar Foam::reducedUnits::refPressure() const
-{
-    return refPressure_;
-}
-
-
-inline Foam::scalar Foam::reducedUnits::refMassDensity() const
-{
-    return refMassDensity_;
-}
-
-
-inline Foam::scalar Foam::reducedUnits::refNumberDensity() const
-{
-    return refNumberDensity_;
-}
-
-
-// ************************************************************************* //
diff --git a/src/lagrangian/molecularDynamics/old/reducedUnits/reducedUnitsIO.C b/src/lagrangian/molecularDynamics/old/reducedUnits/reducedUnitsIO.C
deleted file mode 100644
index 7ee1f39bd0..0000000000
--- a/src/lagrangian/molecularDynamics/old/reducedUnits/reducedUnitsIO.C
+++ /dev/null
@@ -1,60 +0,0 @@
-/*---------------------------------------------------------------------------*\
-  =========                 |
-  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
-   \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 2011 OpenFOAM Foundation
-     \\/     M anipulation  |
--------------------------------------------------------------------------------
-License
-    This file is part of OpenFOAM.
-
-    OpenFOAM is free software: you can redistribute it and/or modify it
-    under the terms of the GNU General Public License as published by
-    the Free Software Foundation, either version 3 of the License, or
-    (at your option) any later version.
-
-    OpenFOAM is distributed in the hope that it will be useful, but WITHOUT
-    ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
-    FITNESS FOR A PARTICULAR PURPOSE.  See the GNU General Public License
-    for more details.
-
-    You should have received a copy of the GNU General Public License
-    along with OpenFOAM.  If not, see <http://www.gnu.org/licenses/>.
-
-\*---------------------------------------------------------------------------*/
-
-#include "reducedUnits.H"
-#include "IOstreams.H"
-
-// * * * * * * * * * * * * * * * IOstream Operators  * * * * * * * * * * * * //
-
-Foam::Ostream& Foam::operator<<(Ostream& os, const reducedUnits& rU)
-{
-    os  << nl << "Defined: " << nl
-        << tab << "refLength = " << rU.refLength() << " m" << nl
-        << tab << "refTime = " << rU.refTime() << " s" << nl
-        << tab << "refMass = " << rU.refMass() << " kg" << nl
-        << tab << "Boltzmann constant, kb = " << reducedUnits::kb << " J/K"
-        << nl << "Calculated: " << nl
-        << tab << "refEnergy = " << rU.refEnergy() << " J" << nl
-        << tab << "refTemp = " << rU.refTemp() << " K" << nl
-        << tab << "refForce = " << rU.refForce() << " N" << nl
-        << tab << "refVelocity = " << rU.refVelocity() << " m/s" << nl
-        << tab << "refVolume = " << rU.refVolume() << " m^3" << nl
-        << tab << "refPressure = " << rU.refPressure() << " N/m^2" << nl
-        << tab << "refMassDensity = " << rU.refMassDensity() << " kg/m^3" << nl
-        << tab << "refNumberDensity = " << rU.refNumberDensity() << " m^-3"
-        << endl;
-
-    // Check state of Ostream
-    os.check
-    (
-        "Foam::Ostream& Foam::operator<<(Foam::Ostream&, "
-        "const Foam::reducedUnits&)"
-    );
-
-    return os;
-}
-
-
-// ************************************************************************* //