From 30c9efca7d63b657ccf5e49b1076f25ddc1a6df8 Mon Sep 17 00:00:00 2001
From: graham <graham.macpherson@strath.ac.uk>
Date: Thu, 15 Jan 2009 20:00:51 +0000
Subject: [PATCH 01/21] Electrostatics now implemented using pair potential
 object, stored in pairPotentialList.  Using damped, shifted force coulomb
 interactions as per J.Chem.Phys. 124, 234104.

---
 .../molecule/mdTools/temperatureAndPressure.H |   9 +-
 .../molecule/moleculeCloud/moleculeCloudI.H   |   8 +-
 .../molecularDynamics/potential/Make/files    |   3 +-
 .../derived/doubleSigmoid/doubleSigmoid.H     |   2 +-
 .../derived/noScaling/noScaling.H             |   2 +-
 .../derived/shifted/shifted.H                 |   2 +-
 .../derived/shiftedForce/shiftedForce.H       |   2 +-
 .../derived/sigmoid/sigmoid.H                 |   2 +-
 .../pairPotential/basic/pairPotential.C       |   8 +-
 .../pairPotential/basic/pairPotential.H       |   6 +-
 .../pairPotential/derived/azizChen/azizChen.H |   2 +-
 .../pairPotential/derived/coulomb/coulomb.C   |   6 +-
 .../pairPotential/derived/coulomb/coulomb.H   |  10 +-
 .../derived/dampedCoulomb/dampedCoulomb.C     |  99 +++++++++++++++++
 .../derived/dampedCoulomb/dampedCoulomb.H     | 105 ++++++++++++++++++
 .../exponentialRepulsion.H                    |   2 +-
 .../derived/lennardJones/lennardJones.H       |   2 +-
 .../derived/maitlandSmith/maitlandSmith.H     |   2 +-
 .../derived/noInteraction/noInteraction.H     |   2 +-
 .../pairPotentialList/pairPotentialList.C     |  35 +++++-
 .../pairPotentialList/pairPotentialList.H     |   4 +
 .../pairPotentialList/pairPotentialListI.H    |   6 +
 .../potential/potential/potential.C           |   6 +-
 .../potential/potential/potential.H           |   4 -
 .../potential/potential/potentialI.H          |   7 --
 .../derived/harmonicSpring/harmonicSpring.H   |   2 +-
 .../derived/pitchForkRing/pitchForkRing.H     |   2 +-
 .../restrainedHarmonicSpring.H                |   2 +-
 28 files changed, 289 insertions(+), 53 deletions(-)
 create mode 100644 src/lagrangian/molecularDynamics/potential/pairPotential/derived/dampedCoulomb/dampedCoulomb.C
 create mode 100644 src/lagrangian/molecularDynamics/potential/pairPotential/derived/dampedCoulomb/dampedCoulomb.H

diff --git a/src/lagrangian/molecularDynamics/molecule/mdTools/temperatureAndPressure.H b/src/lagrangian/molecularDynamics/molecule/mdTools/temperatureAndPressure.H
index 4ba2bc1bc4..250fa1e2ee 100644
--- a/src/lagrangian/molecularDynamics/molecule/mdTools/temperatureAndPressure.H
+++ b/src/lagrangian/molecularDynamics/molecule/mdTools/temperatureAndPressure.H
@@ -84,12 +84,9 @@ if (runTime.outputTime())
         Info << "----------------------------------------" << nl
             << "Averaged properties" << nl
             << "Average |velocity| = "
-                << mag(accumulatedTotalLinearMomentum)/accumulatedTotalMass
-                << " m/s" << nl
-            << "Average temperature = "
-                << averageTemperature << " K" << nl
-            << "Average pressure = "
-                << averagePressure << " N/m^2" << nl
+            << mag(accumulatedTotalLinearMomentum)/accumulatedTotalMass << nl
+            << "Average temperature = " << averageTemperature << nl
+            << "Average pressure = " << averagePressure << nl
             << "----------------------------------------" << endl;
     }
     else
diff --git a/src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloudI.H b/src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloudI.H
index 55813e6658..9dd9ee06ae 100644
--- a/src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloudI.H
+++ b/src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloudI.H
@@ -34,7 +34,7 @@ inline void Foam::moleculeCloud::evaluatePair
 {
     const pairPotentialList& pairPot(pot_.pairPotentials());
 
-    const electrostaticPotential& electrostatic(pot_.electrostatic());
+    const pairPotential& electrostatic(pairPot.electrostatic());
 
     label idI = molI->id();
 
@@ -143,7 +143,7 @@ inline void Foam::moleculeCloud::evaluatePair
 {
     const pairPotentialList& pairPot(pot_.pairPotentials());
 
-    const electrostaticPotential& electrostatic(pot_.electrostatic());
+    const pairPotential& electrostatic(pairPot.electrostatic());
 
     label idReal = molReal->id();
 
@@ -243,7 +243,7 @@ inline bool Foam::moleculeCloud::evaluatePotentialLimit
 {
     const pairPotentialList& pairPot(pot_.pairPotentials());
 
-    const electrostaticPotential& electrostatic(pot_.electrostatic());
+    const pairPotential& electrostatic(pairPot.electrostatic());
 
     label idI = molI->id();
 
@@ -381,7 +381,7 @@ inline bool Foam::moleculeCloud::evaluatePotentialLimit
 {
     const pairPotentialList& pairPot(pot_.pairPotentials());
 
-    const electrostaticPotential& electrostatic(pot_.electrostatic());
+    const pairPotential& electrostatic(pairPot.electrostatic());
 
     label idReal = molReal->id();
 
diff --git a/src/lagrangian/molecularDynamics/potential/Make/files b/src/lagrangian/molecularDynamics/potential/Make/files
index 7b16b6e2b6..4afe4de3d9 100644
--- a/src/lagrangian/molecularDynamics/potential/Make/files
+++ b/src/lagrangian/molecularDynamics/potential/Make/files
@@ -15,6 +15,7 @@ $(pairPotential)/derived/maitlandSmith/maitlandSmith.C
 $(pairPotential)/derived/azizChen/azizChen.C
 $(pairPotential)/derived/exponentialRepulsion/exponentialRepulsion.C
 $(pairPotential)/derived/coulomb/coulomb.C
+$(pairPotential)/derived/dampedCoulomb/dampedCoulomb.C
 $(pairPotential)/derived/noInteraction/noInteraction.C
 
 energyScalingFunction = energyScalingFunction
@@ -43,4 +44,4 @@ electrostaticPotential = electrostaticPotential
 
 $(electrostaticPotential)/electrostaticPotential.C
 
-LIB = $(FOAM_LIBBIN)/libpotential
+LIB = $(FOAM_LIBBIN)/libpotential
\ No newline at end of file
diff --git a/src/lagrangian/molecularDynamics/potential/energyScalingFunction/derived/doubleSigmoid/doubleSigmoid.H b/src/lagrangian/molecularDynamics/potential/energyScalingFunction/derived/doubleSigmoid/doubleSigmoid.H
index 07c4dfbd49..6144bc388d 100644
--- a/src/lagrangian/molecularDynamics/potential/energyScalingFunction/derived/doubleSigmoid/doubleSigmoid.H
+++ b/src/lagrangian/molecularDynamics/potential/energyScalingFunction/derived/doubleSigmoid/doubleSigmoid.H
@@ -98,7 +98,7 @@ public:
 
         void scaleEnergy(scalar& e, const scalar r) const;
 
-        //- Read transportProperties dictionary
+        //- Read dictionary
         bool read(const dictionary& energyScalingFunctionProperties);
 };
 
diff --git a/src/lagrangian/molecularDynamics/potential/energyScalingFunction/derived/noScaling/noScaling.H b/src/lagrangian/molecularDynamics/potential/energyScalingFunction/derived/noScaling/noScaling.H
index 192c862fb4..845634d7be 100644
--- a/src/lagrangian/molecularDynamics/potential/energyScalingFunction/derived/noScaling/noScaling.H
+++ b/src/lagrangian/molecularDynamics/potential/energyScalingFunction/derived/noScaling/noScaling.H
@@ -80,7 +80,7 @@ public:
 
         void scaleEnergy(scalar& e, const scalar r) const;
 
-        //- Read transportProperties dictionary
+        //- Read dictionary
         bool read(const dictionary& energyScalingFunctionProperties);
 };
 
diff --git a/src/lagrangian/molecularDynamics/potential/energyScalingFunction/derived/shifted/shifted.H b/src/lagrangian/molecularDynamics/potential/energyScalingFunction/derived/shifted/shifted.H
index 6f95adbdb9..1aeca9e87f 100644
--- a/src/lagrangian/molecularDynamics/potential/energyScalingFunction/derived/shifted/shifted.H
+++ b/src/lagrangian/molecularDynamics/potential/energyScalingFunction/derived/shifted/shifted.H
@@ -83,7 +83,7 @@ public:
 
         void scaleEnergy(scalar& e, const scalar r) const;
 
-        //- Read transportProperties dictionary
+        //- Read dictionary
         bool read(const dictionary& energyScalingFunctionProperties);
 };
 
diff --git a/src/lagrangian/molecularDynamics/potential/energyScalingFunction/derived/shiftedForce/shiftedForce.H b/src/lagrangian/molecularDynamics/potential/energyScalingFunction/derived/shiftedForce/shiftedForce.H
index d67164c64e..5f90885481 100644
--- a/src/lagrangian/molecularDynamics/potential/energyScalingFunction/derived/shiftedForce/shiftedForce.H
+++ b/src/lagrangian/molecularDynamics/potential/energyScalingFunction/derived/shiftedForce/shiftedForce.H
@@ -89,7 +89,7 @@ public:
 
         void scaleEnergy(scalar& e, const scalar r) const;
 
-        //- Read transportProperties dictionary
+        //- Read dictionary
         bool read(const dictionary& energyScalingFunctionProperties);
 };
 
diff --git a/src/lagrangian/molecularDynamics/potential/energyScalingFunction/derived/sigmoid/sigmoid.H b/src/lagrangian/molecularDynamics/potential/energyScalingFunction/derived/sigmoid/sigmoid.H
index 42d0ac85b8..81a6e31261 100644
--- a/src/lagrangian/molecularDynamics/potential/energyScalingFunction/derived/sigmoid/sigmoid.H
+++ b/src/lagrangian/molecularDynamics/potential/energyScalingFunction/derived/sigmoid/sigmoid.H
@@ -98,7 +98,7 @@ public:
 
         void scaleEnergy(scalar& e, const scalar r) const;
 
-        //- Read transportProperties dictionary
+        //- Read dictionary
         bool read(const dictionary& energyScalingFunctionProperties);
 };
 
diff --git a/src/lagrangian/molecularDynamics/potential/pairPotential/basic/pairPotential.C b/src/lagrangian/molecularDynamics/potential/pairPotential/basic/pairPotential.C
index d4a807f352..0d42b0b2f9 100644
--- a/src/lagrangian/molecularDynamics/potential/pairPotential/basic/pairPotential.C
+++ b/src/lagrangian/molecularDynamics/potential/pairPotential/basic/pairPotential.C
@@ -93,7 +93,7 @@ void Foam::pairPotential::setLookupTables()
 }
 
 
-Foam::scalar Foam::pairPotential::forceLookup(const scalar r) const
+Foam::scalar Foam::pairPotential::force(const scalar r) const
 {
     scalar k_rIJ = (r - rMin_)/dr_;
 
@@ -102,7 +102,7 @@ Foam::scalar Foam::pairPotential::forceLookup(const scalar r) const
     if (k < 0)
     {
         FatalErrorIn("pairPotential.C") << nl
-            << "r less than rMin" << nl
+            << "r less than rMin in pair potential " << name_ << nl
             << abort(FatalError);
     }
 
@@ -130,7 +130,7 @@ Foam::pairPotential::forceTable() const
 }
 
 
-Foam::scalar Foam::pairPotential::energyLookup(const scalar r) const
+Foam::scalar Foam::pairPotential::energy(const scalar r) const
 {
     scalar k_rIJ = (r - rMin_)/dr_;
 
@@ -139,7 +139,7 @@ Foam::scalar Foam::pairPotential::energyLookup(const scalar r) const
     if (k < 0)
     {
         FatalErrorIn("pairPotential.C") << nl
-            << "r less than rMin" << nl
+            << "r less than rMin in pair potential " << name_ << nl
             << abort(FatalError);
     }
 
diff --git a/src/lagrangian/molecularDynamics/potential/pairPotential/basic/pairPotential.H b/src/lagrangian/molecularDynamics/potential/pairPotential/basic/pairPotential.H
index 6d6701a106..c804030307 100644
--- a/src/lagrangian/molecularDynamics/potential/pairPotential/basic/pairPotential.H
+++ b/src/lagrangian/molecularDynamics/potential/pairPotential/basic/pairPotential.H
@@ -94,7 +94,7 @@ protected:
 public:
 
     //- Runtime type information
-    TypeName("pairPotential");
+        TypeName("pairPotential");
 
 
     // Declare run-time constructor selection table
@@ -150,9 +150,9 @@ public:
 
         inline scalar rCutSqr() const;
 
-        scalar energyLookup (const scalar r) const;
+        scalar energy (const scalar r) const;
 
-        scalar forceLookup (const scalar r) const;
+        scalar force (const scalar r) const;
 
         List<Pair<scalar> > energyTable() const;
 
diff --git a/src/lagrangian/molecularDynamics/potential/pairPotential/derived/azizChen/azizChen.H b/src/lagrangian/molecularDynamics/potential/pairPotential/derived/azizChen/azizChen.H
index 43a1ee9dca..e7904674dd 100644
--- a/src/lagrangian/molecularDynamics/potential/pairPotential/derived/azizChen/azizChen.H
+++ b/src/lagrangian/molecularDynamics/potential/pairPotential/derived/azizChen/azizChen.H
@@ -111,7 +111,7 @@ public:
 
         scalar unscaledEnergy(const scalar r) const;
 
-        //- Read transportProperties dictionary
+        //- Read dictionary
         bool read(const dictionary& pairPotentialProperties);
 };
 
diff --git a/src/lagrangian/molecularDynamics/potential/pairPotential/derived/coulomb/coulomb.C b/src/lagrangian/molecularDynamics/potential/pairPotential/derived/coulomb/coulomb.C
index 0476e378da..d7a87238f0 100644
--- a/src/lagrangian/molecularDynamics/potential/pairPotential/derived/coulomb/coulomb.C
+++ b/src/lagrangian/molecularDynamics/potential/pairPotential/derived/coulomb/coulomb.C
@@ -25,6 +25,7 @@ License
 \*---------------------------------------------------------------------------*/
 
 #include "coulomb.H"
+#include "mathematicalConstants.H"
 #include "addToRunTimeSelectionTable.H"
 
 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
@@ -45,6 +46,9 @@ addToRunTimeSelectionTable
     dictionary
 );
 
+scalar coulomb::oneOverFourPiEps0 =
+1.0/(4.0 * mathematicalConstant::pi * 8.854187817e-12);
+
 // * * * * * * * * * * * * Private Member Functions  * * * * * * * * * * * * //
 
 
@@ -65,7 +69,7 @@ coulomb::coulomb
 
 scalar coulomb::unscaledEnergy(const scalar r) const
 {
-    return 1.0/(4.0 * mathematicalConstant::pi * 8.854187817e-12 * r);
+    return oneOverFourPiEps0/r;
 }
 
 
diff --git a/src/lagrangian/molecularDynamics/potential/pairPotential/derived/coulomb/coulomb.H b/src/lagrangian/molecularDynamics/potential/pairPotential/derived/coulomb/coulomb.H
index 44e5e2cc5c..115884990b 100644
--- a/src/lagrangian/molecularDynamics/potential/pairPotential/derived/coulomb/coulomb.H
+++ b/src/lagrangian/molecularDynamics/potential/pairPotential/derived/coulomb/coulomb.H
@@ -23,7 +23,7 @@ License
     Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
 
 Class
-    Foam::pairPotentials::coulomb
+    Foam::pairPotentials::electrostatic
 
 Description
 
@@ -53,12 +53,14 @@ class coulomb
 :
     public pairPotential
 {
-
 public:
 
     //- Runtime type information
-    TypeName("coulomb");
+        TypeName("coulomb");
 
+    // Static data members
+
+        static scalar oneOverFourPiEps0;
 
     // Constructors
 
@@ -80,7 +82,7 @@ public:
 
         scalar unscaledEnergy(const scalar r) const;
 
-        //- Read transportProperties dictionary
+        //- Read dictionary
         bool read(const dictionary& pairPotentialProperties);
 };
 
diff --git a/src/lagrangian/molecularDynamics/potential/pairPotential/derived/dampedCoulomb/dampedCoulomb.C b/src/lagrangian/molecularDynamics/potential/pairPotential/derived/dampedCoulomb/dampedCoulomb.C
new file mode 100644
index 0000000000..ca1038350c
--- /dev/null
+++ b/src/lagrangian/molecularDynamics/potential/pairPotential/derived/dampedCoulomb/dampedCoulomb.C
@@ -0,0 +1,99 @@
+/*---------------------------------------------------------------------------*\
+  =========                 |
+  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
+   \\    /   O peration     |
+    \\  /    A nd           | Copyright (C) 1991-2009 OpenCFD Ltd.
+     \\/     M anipulation  |
+-------------------------------------------------------------------------------
+License
+    This file is part of OpenFOAM.
+
+    OpenFOAM is free software; you can redistribute it and/or modify it
+    under the terms of the GNU General Public License as published by the
+    Free Software Foundation; either version 2 of the License, or (at your
+    option) any later version.
+
+    OpenFOAM is distributed in the hope that it will be useful, but WITHOUT
+    ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+    FITNESS FOR A PARTICULAR PURPOSE.  See the GNU General Public License
+    for more details.
+
+    You should have received a copy of the GNU General Public License
+    along with OpenFOAM; if not, write to the Free Software Foundation,
+    Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
+
+\*---------------------------------------------------------------------------*/
+
+#include "dampedCoulomb.H"
+#include "mathematicalConstants.H"
+#include "addToRunTimeSelectionTable.H"
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+namespace Foam
+{
+namespace pairPotentials
+{
+
+// * * * * * * * * * * * * * * Static Data Members * * * * * * * * * * * * * //
+
+defineTypeNameAndDebug(dampedCoulomb, 0);
+
+addToRunTimeSelectionTable
+(
+    pairPotential,
+    dampedCoulomb,
+    dictionary
+);
+
+scalar dampedCoulomb::oneOverFourPiEps0 =
+1.0/(4.0 * mathematicalConstant::pi * 8.854187817e-12);
+
+// * * * * * * * * * * * * Private Member Functions  * * * * * * * * * * * * //
+
+
+// * * * * * * * * * * * * * * * * Constructors  * * * * * * * * * * * * * * //
+
+dampedCoulomb::dampedCoulomb
+(
+    const word& name,
+    const dictionary& pairPotentialProperties
+)
+:
+    pairPotential(name, pairPotentialProperties),
+    dampedCoulombCoeffs_
+    (
+        pairPotentialProperties.subDict(typeName + "Coeffs")
+    ),
+    alpha_(readScalar(dampedCoulombCoeffs_.lookup("alpha")))
+{
+    setLookupTables();
+}
+
+// * * * * * * * * * * * * * * Member Functions  * * * * * * * * * * * * * * //
+
+scalar dampedCoulomb::unscaledEnergy(const scalar r) const
+{
+    return oneOverFourPiEps0*erfc(alpha_*r)/r;
+}
+
+
+bool dampedCoulomb::read(const dictionary& pairPotentialProperties)
+{
+    pairPotential::read(pairPotentialProperties);
+
+    dampedCoulombCoeffs_ =
+    pairPotentialProperties.subDict(typeName + "Coeffs");
+
+    dampedCoulombCoeffs_.lookup("alpha") >> alpha_;
+
+    return true;
+}
+
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+} // End namespace pairPotentials
+} // End namespace Foam
+
+// ************************************************************************* //
diff --git a/src/lagrangian/molecularDynamics/potential/pairPotential/derived/dampedCoulomb/dampedCoulomb.H b/src/lagrangian/molecularDynamics/potential/pairPotential/derived/dampedCoulomb/dampedCoulomb.H
new file mode 100644
index 0000000000..625d9a9081
--- /dev/null
+++ b/src/lagrangian/molecularDynamics/potential/pairPotential/derived/dampedCoulomb/dampedCoulomb.H
@@ -0,0 +1,105 @@
+/*---------------------------------------------------------------------------*\
+  =========                 |
+  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
+   \\    /   O peration     |
+    \\  /    A nd           | Copyright (C) 1991-2009 OpenCFD Ltd.
+     \\/     M anipulation  |
+-------------------------------------------------------------------------------
+License
+    This file is part of OpenFOAM.
+
+    OpenFOAM is free software; you can redistribute it and/or modify it
+    under the terms of the GNU General Public License as published by the
+    Free Software Foundation; either version 2 of the License, or (at your
+    option) any later version.
+
+    OpenFOAM is distributed in the hope that it will be useful, but WITHOUT
+    ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+    FITNESS FOR A PARTICULAR PURPOSE.  See the GNU General Public License
+    for more details.
+
+    You should have received a copy of the GNU General Public License
+    along with OpenFOAM; if not, write to the Free Software Foundation,
+    Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
+
+Class
+    Foam::pairPotentials::electrostatic
+
+Description
+
+
+SourceFiles
+    dampedCoulomb.C
+
+\*---------------------------------------------------------------------------*/
+
+#ifndef dampedCoulomb_H
+#define dampedCoulomb_H
+
+#include "pairPotential.H"
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+namespace Foam
+{
+namespace pairPotentials
+{
+
+/*---------------------------------------------------------------------------*\
+                           Class dampedCoulomb Declaration
+\*---------------------------------------------------------------------------*/
+
+class dampedCoulomb
+:
+    public pairPotential
+{
+    // Private data
+
+        dictionary dampedCoulombCoeffs_;
+
+        scalar alpha_;
+
+public:
+
+    //- Runtime type information
+        TypeName("dampedCoulomb");
+
+    // Static data members
+
+        static scalar oneOverFourPiEps0;
+
+    // Constructors
+
+        //- Construct from components
+        dampedCoulomb
+        (
+            const word& name,
+            const dictionary& pairPotentialProperties
+        );
+
+
+    // Destructor
+
+        ~dampedCoulomb()
+        {}
+
+
+    // Member Functions
+
+        scalar unscaledEnergy(const scalar r) const;
+
+        //- Read dictionary
+        bool read(const dictionary& pairPotentialProperties);
+};
+
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+} // End namespace pairPotentials
+} // End namespace Foam
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+#endif
+
+// ************************************************************************* //
diff --git a/src/lagrangian/molecularDynamics/potential/pairPotential/derived/exponentialRepulsion/exponentialRepulsion.H b/src/lagrangian/molecularDynamics/potential/pairPotential/derived/exponentialRepulsion/exponentialRepulsion.H
index 7026710427..895bb05706 100644
--- a/src/lagrangian/molecularDynamics/potential/pairPotential/derived/exponentialRepulsion/exponentialRepulsion.H
+++ b/src/lagrangian/molecularDynamics/potential/pairPotential/derived/exponentialRepulsion/exponentialRepulsion.H
@@ -86,7 +86,7 @@ public:
 
         scalar unscaledEnergy(const scalar r) const;
 
-        //- Read transportProperties dictionary
+        //- Read dictionary
         bool read(const dictionary& pairPotentialProperties);
 };
 
diff --git a/src/lagrangian/molecularDynamics/potential/pairPotential/derived/lennardJones/lennardJones.H b/src/lagrangian/molecularDynamics/potential/pairPotential/derived/lennardJones/lennardJones.H
index f12027d115..829827120b 100644
--- a/src/lagrangian/molecularDynamics/potential/pairPotential/derived/lennardJones/lennardJones.H
+++ b/src/lagrangian/molecularDynamics/potential/pairPotential/derived/lennardJones/lennardJones.H
@@ -86,7 +86,7 @@ public:
 
         scalar unscaledEnergy(const scalar r) const;
 
-        //- Read transportProperties dictionary
+        //- Read dictionary
         bool read(const dictionary& pairPotentialProperties);
 };
 
diff --git a/src/lagrangian/molecularDynamics/potential/pairPotential/derived/maitlandSmith/maitlandSmith.H b/src/lagrangian/molecularDynamics/potential/pairPotential/derived/maitlandSmith/maitlandSmith.H
index af4612644b..d2097b42fe 100644
--- a/src/lagrangian/molecularDynamics/potential/pairPotential/derived/maitlandSmith/maitlandSmith.H
+++ b/src/lagrangian/molecularDynamics/potential/pairPotential/derived/maitlandSmith/maitlandSmith.H
@@ -114,7 +114,7 @@ public:
 
         scalar unscaledEnergy(const scalar r) const;
 
-        //- Read transportProperties dictionary
+        //- Read dictionary
         bool read(const dictionary& pairPotentialProperties);
 };
 
diff --git a/src/lagrangian/molecularDynamics/potential/pairPotential/derived/noInteraction/noInteraction.H b/src/lagrangian/molecularDynamics/potential/pairPotential/derived/noInteraction/noInteraction.H
index d09564ef88..d4d7a9f208 100644
--- a/src/lagrangian/molecularDynamics/potential/pairPotential/derived/noInteraction/noInteraction.H
+++ b/src/lagrangian/molecularDynamics/potential/pairPotential/derived/noInteraction/noInteraction.H
@@ -80,7 +80,7 @@ public:
 
         scalar unscaledEnergy(const scalar r) const;
 
-        //- Read transportProperties dictionary
+        //- Read dictionary
         bool read(const dictionary& pairPotentialProperties);
 };
 
diff --git a/src/lagrangian/molecularDynamics/potential/pairPotential/pairPotentialList/pairPotentialList.C b/src/lagrangian/molecularDynamics/potential/pairPotential/pairPotentialList/pairPotentialList.C
index ef856bc505..c9ff27fe1d 100644
--- a/src/lagrangian/molecularDynamics/potential/pairPotential/pairPotentialList/pairPotentialList.C
+++ b/src/lagrangian/molecularDynamics/potential/pairPotential/pairPotentialList/pairPotentialList.C
@@ -136,6 +136,37 @@ void Foam::pairPotentialList::readPairPotentialDict
         }
     }
 
+    if (!pairPotentialDict.found("electrostatic"))
+    {
+        FatalErrorIn("pairPotentialList::buildPotentials") << nl
+            << "Pair pairPotential specification subDict electrostatic"
+            << nl << abort(FatalError);
+    }
+
+    electrostaticPotential_ = pairPotential::New
+    (
+        "electrostatic",
+        pairPotentialDict.subDict("electrostatic")
+    );
+
+    if (electrostaticPotential_->rCut() > rCutMax_)
+    {
+        rCutMax_ = electrostaticPotential_->rCut();
+    }
+
+    if (electrostaticPotential_->writeTables())
+    {
+        OFstream ppTabFile(mesh.time().path()/"electrostatic");
+
+        if(!electrostaticPotential_->writeEnergyAndForceTables(ppTabFile))
+        {
+            FatalErrorIn("pairPotentialList::readPairPotentialDict")
+                << "Failed writing to "
+                << ppTabFile.name() << nl
+                << abort(FatalError);
+        }
+    }
+
     rCutMaxSqr_ = rCutMax_*rCutMax_;
 }
 
@@ -270,7 +301,7 @@ Foam::scalar Foam::pairPotentialList::force
     const scalar rIJMag
 ) const
 {
-    scalar f = (*this)[pairPotentialIndex (a, b)].forceLookup(rIJMag);
+    scalar f = (*this)[pairPotentialIndex (a, b)].force(rIJMag);
 
     return f;
 }
@@ -283,7 +314,7 @@ Foam::scalar Foam::pairPotentialList::energy
     const scalar rIJMag
 ) const
 {
-    scalar e = (*this)[pairPotentialIndex (a, b)].energyLookup(rIJMag);
+    scalar e = (*this)[pairPotentialIndex (a, b)].energy(rIJMag);
 
     return e;
 }
diff --git a/src/lagrangian/molecularDynamics/potential/pairPotential/pairPotentialList/pairPotentialList.H b/src/lagrangian/molecularDynamics/potential/pairPotential/pairPotentialList/pairPotentialList.H
index a7e8190a01..a70179fc78 100644
--- a/src/lagrangian/molecularDynamics/potential/pairPotential/pairPotentialList/pairPotentialList.H
+++ b/src/lagrangian/molecularDynamics/potential/pairPotential/pairPotentialList/pairPotentialList.H
@@ -62,6 +62,8 @@ class pairPotentialList
 
         scalar rCutMaxSqr_;
 
+        autoPtr<pairPotential> electrostaticPotential_;
+
     // Private Member Functions
 
         inline label pairPotentialIndex
@@ -153,6 +155,8 @@ public:
                 const label b,
                 const scalar rIJMag
             ) const;
+
+            inline const pairPotential& electrostatic() const;
 };
 
 
diff --git a/src/lagrangian/molecularDynamics/potential/pairPotential/pairPotentialList/pairPotentialListI.H b/src/lagrangian/molecularDynamics/potential/pairPotential/pairPotentialList/pairPotentialListI.H
index 413ffea05e..844f641ca1 100644
--- a/src/lagrangian/molecularDynamics/potential/pairPotential/pairPotentialList/pairPotentialListI.H
+++ b/src/lagrangian/molecularDynamics/potential/pairPotential/pairPotentialList/pairPotentialListI.H
@@ -70,4 +70,10 @@ inline Foam::scalar Foam::pairPotentialList::rCutMaxSqr() const
 }
 
 
+inline const Foam::pairPotential& Foam::pairPotentialList::electrostatic() const
+{
+    return electrostaticPotential_;
+}
+
+
 // ************************************************************************* //
diff --git a/src/lagrangian/molecularDynamics/potential/potential/potential.C b/src/lagrangian/molecularDynamics/potential/potential/potential.C
index 97414fd7c1..84eb338ddd 100644
--- a/src/lagrangian/molecularDynamics/potential/potential/potential.C
+++ b/src/lagrangian/molecularDynamics/potential/potential/potential.C
@@ -365,8 +365,7 @@ void Foam::potential::potential::readMdInitialiseDict
 
 Foam::potential::potential(const polyMesh& mesh)
 :
-    mesh_(mesh),
-    electrostaticPotential_()
+    mesh_(mesh)
 {
     readPotentialDict();
 }
@@ -379,8 +378,7 @@ Foam::potential::potential
     IOdictionary& idListDict
 )
 :
-    mesh_(mesh),
-    electrostaticPotential_()
+    mesh_(mesh)
 {
     readMdInitialiseDict(mdInitialiseDict, idListDict);
 }
diff --git a/src/lagrangian/molecularDynamics/potential/potential/potential.H b/src/lagrangian/molecularDynamics/potential/potential/potential.H
index 6f6d47d9ee..890d179238 100644
--- a/src/lagrangian/molecularDynamics/potential/potential/potential.H
+++ b/src/lagrangian/molecularDynamics/potential/potential/potential.H
@@ -70,8 +70,6 @@ class potential
 
         pairPotentialList pairPotentials_;
 
-        electrostaticPotential electrostaticPotential_;
-
         tetherPotentialList tetherPotentials_;
 
         vector gravity_;
@@ -133,8 +131,6 @@ public:
 
             inline const pairPotentialList& pairPotentials() const;
 
-            inline const electrostaticPotential& electrostatic() const;
-
             inline const tetherPotentialList& tetherPotentials() const;
 
             inline const vector& gravity() const;
diff --git a/src/lagrangian/molecularDynamics/potential/potential/potentialI.H b/src/lagrangian/molecularDynamics/potential/potential/potentialI.H
index eddd2b047c..f0cd7de3da 100644
--- a/src/lagrangian/molecularDynamics/potential/potential/potentialI.H
+++ b/src/lagrangian/molecularDynamics/potential/potential/potentialI.H
@@ -70,13 +70,6 @@ inline const Foam::pairPotentialList& Foam::potential::pairPotentials() const
 }
 
 
-inline const Foam::electrostaticPotential&
-Foam::potential::electrostatic() const
-{
-    return electrostaticPotential_;
-}
-
-
 inline const Foam::tetherPotentialList&
 Foam::potential::tetherPotentials() const
 {
diff --git a/src/lagrangian/molecularDynamics/potential/tetherPotential/derived/harmonicSpring/harmonicSpring.H b/src/lagrangian/molecularDynamics/potential/tetherPotential/derived/harmonicSpring/harmonicSpring.H
index 6508adaec9..5ecb91023c 100644
--- a/src/lagrangian/molecularDynamics/potential/tetherPotential/derived/harmonicSpring/harmonicSpring.H
+++ b/src/lagrangian/molecularDynamics/potential/tetherPotential/derived/harmonicSpring/harmonicSpring.H
@@ -88,7 +88,7 @@ public:
 
         vector force(const vector r) const;
 
-        //- Read transportProperties dictionary
+        //- Read dictionary
         bool read(const dictionary& tetherPotentialProperties);
 };
 
diff --git a/src/lagrangian/molecularDynamics/potential/tetherPotential/derived/pitchForkRing/pitchForkRing.H b/src/lagrangian/molecularDynamics/potential/tetherPotential/derived/pitchForkRing/pitchForkRing.H
index 82b93b087b..f1c734a14f 100644
--- a/src/lagrangian/molecularDynamics/potential/tetherPotential/derived/pitchForkRing/pitchForkRing.H
+++ b/src/lagrangian/molecularDynamics/potential/tetherPotential/derived/pitchForkRing/pitchForkRing.H
@@ -90,7 +90,7 @@ public:
 
         vector force(const vector r) const;
 
-        //- Read transportProperties dictionary
+        //- Read dictionary
         bool read(const dictionary& tetherPotentialProperties);
 };
 
diff --git a/src/lagrangian/molecularDynamics/potential/tetherPotential/derived/restrainedHarmonicSpring/restrainedHarmonicSpring.H b/src/lagrangian/molecularDynamics/potential/tetherPotential/derived/restrainedHarmonicSpring/restrainedHarmonicSpring.H
index 62b9261859..5680437bd3 100644
--- a/src/lagrangian/molecularDynamics/potential/tetherPotential/derived/restrainedHarmonicSpring/restrainedHarmonicSpring.H
+++ b/src/lagrangian/molecularDynamics/potential/tetherPotential/derived/restrainedHarmonicSpring/restrainedHarmonicSpring.H
@@ -90,7 +90,7 @@ public:
 
         vector force(const vector r) const;
 
-        //- Read transportProperties dictionary
+        //- Read dictionary
         bool read(const dictionary& tetherPotentialProperties);
 };
 

From 3ec52af20f4b251a8fa35623e7f0a6b33088ff80 Mon Sep 17 00:00:00 2001
From: graham <graham.macpherson@strath.ac.uk>
Date: Thu, 15 Jan 2009 20:10:53 +0000
Subject: [PATCH 02/21] Adding rMin check to electrostatic evaluation in
 removeHighEnergyOverlaps

---
 .../molecule/moleculeCloud/moleculeCloudI.H            | 10 ++++++++++
 1 file changed, 10 insertions(+)

diff --git a/src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloudI.H b/src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloudI.H
index 9dd9ee06ae..e5320a4f3b 100644
--- a/src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloudI.H
+++ b/src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloudI.H
@@ -352,6 +352,11 @@ inline bool Foam::moleculeCloud::evaluatePotentialLimit
                         return true;
                     }
 
+                    if (rsIsJMag < electrostatic.rMin())
+                    {
+                        return true;
+                    }
+
                     scalar chargeI = constPropI.siteCharges()[sI];
 
                     scalar chargeJ = constPropJ.siteCharges()[sJ];
@@ -491,6 +496,11 @@ inline bool Foam::moleculeCloud::evaluatePotentialLimit
                         return true;
                     }
 
+                    if (rsRealsRefMag < electrostatic.rMin())
+                    {
+                        return true;
+                    }
+
                     scalar chargeReal = constPropReal.siteCharges()[sReal];
 
                     scalar chargeRef = constPropRef.siteCharges()[sRef];

From 64391aabbc1ed6596febef2a95306c730e45bf4f Mon Sep 17 00:00:00 2001
From: graham <graham.macpherson@strath.ac.uk>
Date: Thu, 15 Jan 2009 20:16:12 +0000
Subject: [PATCH 03/21] Warning message update: molConfig -> mdInitialise

---
 .../molecule/moleculeCloud/moleculeCloudI.H          | 12 ++++++------
 1 file changed, 6 insertions(+), 6 deletions(-)

diff --git a/src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloudI.H b/src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloudI.H
index e5320a4f3b..9af2e04f55 100644
--- a/src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloudI.H
+++ b/src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloudI.H
@@ -344,8 +344,8 @@ inline bool Foam::moleculeCloud::evaluatePotentialLimit
                             << SMALL
                             << ": mag separation = " << rsIsJMag
                             << ". These may have been placed on top of each"
-                            << " other by a rounding error in molConfig in"
-                            << " parallel or a block filled with molecules "
+                            << " other by a rounding error in mdInitialise in"
+                            << " parallel or a block filled with molecules"
                             << " twice. Removing one of the molecules."
                             << endl;
 
@@ -438,8 +438,8 @@ inline bool Foam::moleculeCloud::evaluatePotentialLimit
                             << SMALL
                             << ": mag separation = " << rsRealsRefMag
                             << ". These may have been placed on top of each"
-                            << " other by a rounding error in molConfig in"
-                            << " parallel or a block filled with molecules "
+                            << " other by a rounding error in mdInitialise in"
+                            << " parallel or a block filled with molecules"
                             << " twice. Removing one of the molecules."
                             << endl;
 
@@ -488,8 +488,8 @@ inline bool Foam::moleculeCloud::evaluatePotentialLimit
                             << SMALL
                             << ": mag separation = " << rsRealsRefMag
                             << ". These may have been placed on top of each"
-                            << " other by a rounding error in molConfig in"
-                            << " parallel or a block filled with molecules "
+                            << " other by a rounding error in mdInitialise in"
+                            << " parallel or a block filled with molecules"
                             << " twice. Removing one of the molecules."
                             << endl;
 

From 399e6a3baba08df0a4c13faefcb788579a1fecef Mon Sep 17 00:00:00 2001
From: graham <graham.macpherson@strath.ac.uk>
Date: Fri, 16 Jan 2009 17:43:21 +0000
Subject: [PATCH 04/21] Modifying site virial contribution.

---
 .../molecule/moleculeCloud/moleculeCloudI.H   | 46 +++++++++++++++----
 1 file changed, 38 insertions(+), 8 deletions(-)

diff --git a/src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloudI.H b/src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloudI.H
index 9af2e04f55..c4b8e5d89c 100644
--- a/src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloudI.H
+++ b/src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloudI.H
@@ -91,9 +91,18 @@ inline void Foam::moleculeCloud::evaluatePair
 
                     molJ->potentialEnergy() += 0.5*potentialEnergy;
 
-                    molI->rf() += rsIsJ * fsIsJ;
+                    vector rIJ = molI->position() - molJ->position();
 
-                    molJ->rf() += rsIsJ * fsIsJ;
+                    tensor virialContribution =
+                    (rsIsJ * fsIsJ)*(rsIsJ & rIJ)/rsIsJMagSq;
+
+                    molI->rf() += virialContribution;
+
+                    molJ->rf() += virialContribution;
+
+                    // molI->rf() += rsIsJ * fsIsJ;
+
+                    // molJ->rf() += rsIsJ * fsIsJ;
                 }
             }
 
@@ -104,7 +113,7 @@ inline void Foam::moleculeCloud::evaluatePair
 
                 scalar rsIsJMagSq = magSqr(rsIsJ);
 
-                if(pairPot.rCutMaxSqr(rsIsJMagSq))
+                if(rsIsJMagSq <= electrostatic.rCutSqr())
                 {
                     scalar rsIsJMag = mag(rsIsJ);
 
@@ -126,9 +135,18 @@ inline void Foam::moleculeCloud::evaluatePair
 
                     molJ->potentialEnergy() += 0.5*potentialEnergy;
 
-                    molI->rf() += rsIsJ * fsIsJ;
+                    vector rIJ = molI->position() - molJ->position();
 
-                    molJ->rf() += rsIsJ * fsIsJ;
+                    tensor virialContribution =
+                    (rsIsJ * fsIsJ)*(rsIsJ & rIJ)/rsIsJMagSq;
+
+                    molI->rf() += virialContribution;
+
+                    molJ->rf() += virialContribution;
+
+                    // molI->rf() += rsIsJ * fsIsJ;
+
+                    // molJ->rf() += rsIsJ * fsIsJ;
                 }
             }
         }
@@ -196,7 +214,13 @@ inline void Foam::moleculeCloud::evaluatePair
 
                     molReal->potentialEnergy() += 0.5*potentialEnergy;
 
-                    molReal->rf() += rsRealsRef * fsRealsRef;
+                    vector rRealRef = molReal->position() - molRef->position();
+
+                    molReal->rf() += (rsRealsRef * fsRealsRef)
+                    *(rsRealsRef & rRealRef)
+                    /rsRealsRefMagSq;
+
+                    // molReal->rf() += rsRealsRef * fsRealsRef;
 
                 }
             }
@@ -208,7 +232,7 @@ inline void Foam::moleculeCloud::evaluatePair
 
                 scalar rsRealsRefMagSq = magSqr(rsRealsRef);
 
-                if(pairPot.rCutMaxSqr(rsRealsRefMagSq))
+                if(rsRealsRefMagSq <= electrostatic.rCutSqr())
                 {
                     scalar rsRealsRefMag = mag(rsRealsRef);
 
@@ -227,7 +251,13 @@ inline void Foam::moleculeCloud::evaluatePair
 
                     molReal->potentialEnergy() += 0.5*potentialEnergy;
 
-                    molReal->rf() += rsRealsRef * fsRealsRef;
+                    vector rRealRef = molReal->position() - molRef->position();
+
+                    molReal->rf() += (rsRealsRef * fsRealsRef)
+                    *(rsRealsRef & rRealRef)
+                    /rsRealsRefMagSq;
+
+                    // molReal->rf() += rsRealsRef * fsRealsRef;
                 }
             }
         }

From 4f87d6053088835d3022f453f9016bf22b12efb7 Mon Sep 17 00:00:00 2001
From: graham <graham.macpherson@strath.ac.uk>
Date: Tue, 20 Jan 2009 16:34:10 +0000
Subject: [PATCH 05/21] rename dictionary variable

---
 .../mdEquilibrationFoam/readmdEquilibrationDict.H               | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/applications/solvers/molecularDynamics/mdEquilibrationFoam/readmdEquilibrationDict.H b/applications/solvers/molecularDynamics/mdEquilibrationFoam/readmdEquilibrationDict.H
index 8289d014b0..b94745d9df 100644
--- a/applications/solvers/molecularDynamics/mdEquilibrationFoam/readmdEquilibrationDict.H
+++ b/applications/solvers/molecularDynamics/mdEquilibrationFoam/readmdEquilibrationDict.H
@@ -14,5 +14,5 @@ IOdictionary mdEquilibrationDict
 
 scalar targetTemperature = readScalar
 (
-    mdEquilibrationDict.lookup("equilibrationTargetTemperature")
+    mdEquilibrationDict.lookup("targetTemperature")
 );

From 1b9bef5dd3aaaf9dbf8b33ab661c0d950f90125c Mon Sep 17 00:00:00 2001
From: graham <graham.macpherson@strath.ac.uk>
Date: Thu, 22 Jan 2009 17:20:48 +0000
Subject: [PATCH 06/21] Adding vectors for global pi and tau as well as a
 triplet of orientation vectors to visualise rotational motion to written
 fields for post-processing.

---
 .../molecule/molecule/moleculeIO.C            | 46 +++++++++++++++++++
 1 file changed, 46 insertions(+)

diff --git a/src/lagrangian/molecularDynamics/molecule/molecule/moleculeIO.C b/src/lagrangian/molecularDynamics/molecule/molecule/moleculeIO.C
index c1e99d8a0b..e01e5ec328 100644
--- a/src/lagrangian/molecularDynamics/molecule/molecule/moleculeIO.C
+++ b/src/lagrangian/molecularDynamics/molecule/molecule/moleculeIO.C
@@ -169,6 +169,37 @@ void Foam::molecule::writeFields(const moleculeCloud& mC)
     IOField<label> special(mC.fieldIOobject("special", IOobject::NO_READ), np);
     IOField<label> id(mC.fieldIOobject("id", IOobject::NO_READ), np);
 
+    // Post processing fields
+
+    IOField<vector> piGlobal
+    (
+        mC.fieldIOobject("piGlobal", IOobject::NO_READ),
+        np
+    );
+    IOField<vector> tauGlobal
+    (
+        mC.fieldIOobject("tauGlobal", IOobject::NO_READ),
+        np
+    );
+
+    IOField<vector> orientation1
+    (
+        mC.fieldIOobject("orientation1", IOobject::NO_READ),
+        np
+    );
+
+    IOField<vector> orientation2
+    (
+        mC.fieldIOobject("orientation2", IOobject::NO_READ),
+        np
+    );
+
+    IOField<vector> orientation3
+    (
+        mC.fieldIOobject("orientation3", IOobject::NO_READ),
+        np
+    );
+
     label i = 0;
     forAllConstIter(moleculeCloud, mC, iter)
     {
@@ -182,6 +213,14 @@ void Foam::molecule::writeFields(const moleculeCloud& mC)
         specialPosition[i] = mol.specialPosition_;
         special[i] = mol.special_;
         id[i] = mol.id_;
+
+        piGlobal[i] = mol.Q_ & mol.pi_;
+        tauGlobal[i] = mol.Q_ & mol.tau_;
+
+        orientation1[i] = mol.Q_ & vector(1,0,0);
+        orientation2[i] = mol.Q_ & vector(0,1,0);
+        orientation3[i] = mol.Q_ & vector(0,0,1);
+
         i++;
     }
 
@@ -193,6 +232,13 @@ void Foam::molecule::writeFields(const moleculeCloud& mC)
     specialPosition.write();
     special.write();
     id.write();
+
+    piGlobal.write();
+    tauGlobal.write();
+
+    orientation1.write();
+    orientation2.write();
+    orientation3.write();
 }
 
 

From bd4d8db171a4d0f4597aa8be2739dd827e127606 Mon Sep 17 00:00:00 2001
From: graham <graham.macpherson@strath.ac.uk>
Date: Thu, 22 Jan 2009 19:39:57 +0000
Subject: [PATCH 07/21] Added XYZ site writer

---
 .../solvers/molecularDynamics/mdFoam/mdFoam.C |  2 +
 .../molecule/moleculeCloud/moleculeCloud.C    | 38 +++++++++++++++++++
 .../molecule/moleculeCloud/moleculeCloud.H    |  7 ++++
 3 files changed, 47 insertions(+)

diff --git a/applications/solvers/molecularDynamics/mdFoam/mdFoam.C b/applications/solvers/molecularDynamics/mdFoam/mdFoam.C
index a1c13246e3..0b52507ae0 100644
--- a/applications/solvers/molecularDynamics/mdFoam/mdFoam.C
+++ b/applications/solvers/molecularDynamics/mdFoam/mdFoam.C
@@ -69,6 +69,8 @@ int main(int argc, char *argv[])
         if (runTime.outputTime())
         {
             nAveragingSteps = 0;
+
+            molecules.writeXYZ("moleculeCloud.xmol");
         }
 
         Info << "ExecutionTime = " << runTime.elapsedCpuTime() << " s"
diff --git a/src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloud.C b/src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloud.C
index a0c45a7365..96fc51c42a 100644
--- a/src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloud.C
+++ b/src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloud.C
@@ -1025,6 +1025,20 @@ void Foam::moleculeCloud::createMolecule
 }
 
 
+Foam::label Foam::moleculeCloud::nSites() const
+{
+    label n = 0;
+
+    const_iterator mol(this->begin());
+
+    for (mol = this->begin(); mol != this->end(); ++mol)
+    {
+        n += constProps(mol().id()).nSites();
+    }
+
+    return n;
+}
+
 // * * * * * * * * * * * * * * * * Constructors  * * * * * * * * * * * * * * //
 
 Foam::moleculeCloud::moleculeCloud
@@ -1158,4 +1172,28 @@ void Foam::moleculeCloud::writeFields() const
 }
 
 
+void Foam::moleculeCloud::writeXYZ(const fileName& fName) const
+{
+    OFstream str(fName);
+
+    str<< nSites() << nl << "moleculeCloud sites" << nl;
+
+    const_iterator mol(this->begin());
+
+    for (mol = this->begin(); mol != this->end(); ++mol)
+    {
+        forAll(mol().sitePositions(), i)
+        {
+            const point& sP = mol().sitePositions()[i];
+
+            str<< pot_.siteIdList()[constProps(mol().id()).siteIds()[i]]
+                << ' ' << sP.x()
+                << ' ' << sP.y()
+                << ' ' << sP.z()
+                << nl;
+        }
+    }
+}
+
+
 // ************************************************************************* //
diff --git a/src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloud.H b/src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloud.H
index d6f961ca0c..48eb999a68 100644
--- a/src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloud.H
+++ b/src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloud.H
@@ -44,6 +44,7 @@ SourceFiles
 #include "interactionLists.H"
 #include "labelVector.H"
 #include "Random.H"
+#include "fileName.H"
 
 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
@@ -131,6 +132,8 @@ private:
             const vector& bulkVelocity
         );
 
+        label nSites() const;
+
         inline vector equipartitionLinearVelocity
         (
             scalar temperature,
@@ -213,6 +216,10 @@ public:
         //- Write fields
 
             void writeFields() const;
+
+        //- Write molecule sites in XYZ format
+
+            void writeXYZ(const fileName& fName) const;
 };
 
 

From 40c1c2b2af9307b42de0fe9cb5d6dbd61afe8b88 Mon Sep 17 00:00:00 2001
From: graham <graham.macpherson@strath.ac.uk>
Date: Thu, 22 Jan 2009 20:30:38 +0000
Subject: [PATCH 08/21] XYZ files should be in angstroms, scaling
 appropriately.

---
 .../molecule/moleculeCloud/moleculeCloud.C                | 8 ++++----
 1 file changed, 4 insertions(+), 4 deletions(-)

diff --git a/src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloud.C b/src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloud.C
index 96fc51c42a..c187806f40 100644
--- a/src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloud.C
+++ b/src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloud.C
@@ -1176,7 +1176,7 @@ void Foam::moleculeCloud::writeXYZ(const fileName& fName) const
 {
     OFstream str(fName);
 
-    str<< nSites() << nl << "moleculeCloud sites" << nl;
+    str<< nSites() << nl << "moleculeCloud site positions in angstroms" << nl;
 
     const_iterator mol(this->begin());
 
@@ -1187,9 +1187,9 @@ void Foam::moleculeCloud::writeXYZ(const fileName& fName) const
             const point& sP = mol().sitePositions()[i];
 
             str<< pot_.siteIdList()[constProps(mol().id()).siteIds()[i]]
-                << ' ' << sP.x()
-                << ' ' << sP.y()
-                << ' ' << sP.z()
+                << ' ' << sP.x()*1e10
+                << ' ' << sP.y()*1e10
+                << ' ' << sP.z()*1e10
                 << nl;
         }
     }

From e788f80b8651a922382cabc193f6ef4c3fc9f13c Mon Sep 17 00:00:00 2001
From: graham <graham.macpherson@strath.ac.uk>
Date: Thu, 22 Jan 2009 21:01:14 +0000
Subject: [PATCH 09/21] Writing XYZ to individual time directories

---
 applications/solvers/molecularDynamics/mdFoam/mdFoam.C | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/applications/solvers/molecularDynamics/mdFoam/mdFoam.C b/applications/solvers/molecularDynamics/mdFoam/mdFoam.C
index 0b52507ae0..28e2699877 100644
--- a/applications/solvers/molecularDynamics/mdFoam/mdFoam.C
+++ b/applications/solvers/molecularDynamics/mdFoam/mdFoam.C
@@ -70,7 +70,7 @@ int main(int argc, char *argv[])
         {
             nAveragingSteps = 0;
 
-            molecules.writeXYZ("moleculeCloud.xmol");
+            molecules.writeXYZ(runTime.timePath() + "/moleculeCloud.xmol");
         }
 
         Info << "ExecutionTime = " << runTime.elapsedCpuTime() << " s"

From 20d0e54aeea1c89547eebbae565f3b2aba6717b8 Mon Sep 17 00:00:00 2001
From: graham <graham.macpherson@strath.ac.uk>
Date: Mon, 26 Jan 2009 18:37:40 +0000
Subject: [PATCH 10/21] Writing XYZ on field write.  Reading in and storing
 siteMasses on constantProperties construction.

---
 .../solvers/molecularDynamics/mdFoam/mdFoam.C |  2 --
 .../molecule/molecule/molecule.H              |  4 +++
 .../molecule/molecule/moleculeI.H             | 25 ++++++++++++-------
 .../molecule/molecule/moleculeIO.C            |  5 ++++
 .../molecule/moleculeCloud/moleculeCloud.C    |  5 +++-
 5 files changed, 29 insertions(+), 12 deletions(-)

diff --git a/applications/solvers/molecularDynamics/mdFoam/mdFoam.C b/applications/solvers/molecularDynamics/mdFoam/mdFoam.C
index 28e2699877..a1c13246e3 100644
--- a/applications/solvers/molecularDynamics/mdFoam/mdFoam.C
+++ b/applications/solvers/molecularDynamics/mdFoam/mdFoam.C
@@ -69,8 +69,6 @@ int main(int argc, char *argv[])
         if (runTime.outputTime())
         {
             nAveragingSteps = 0;
-
-            molecules.writeXYZ(runTime.timePath() + "/moleculeCloud.xmol");
         }
 
         Info << "ExecutionTime = " << runTime.elapsedCpuTime() << " s"
diff --git a/src/lagrangian/molecularDynamics/molecule/molecule/molecule.H b/src/lagrangian/molecularDynamics/molecule/molecule/molecule.H
index 04e33428e9..7cf42d351b 100644
--- a/src/lagrangian/molecularDynamics/molecule/molecule/molecule.H
+++ b/src/lagrangian/molecularDynamics/molecule/molecule/molecule.H
@@ -82,6 +82,8 @@ public:
 
             Field<vector> siteReferencePositions_;
 
+            List<scalar> siteMasses_;
+
             List<scalar> siteCharges_;
 
             List<label> siteIds_;
@@ -117,6 +119,8 @@ public:
 
         inline const Field<vector>& siteReferencePositions() const;
 
+        inline const List<scalar>& siteMasses() const;
+
         inline const List<scalar>& siteCharges() const;
 
         inline const List<label>& siteIds() const;
diff --git a/src/lagrangian/molecularDynamics/molecule/molecule/moleculeI.H b/src/lagrangian/molecularDynamics/molecule/molecule/moleculeI.H
index eb80dd930f..c514c336d0 100644
--- a/src/lagrangian/molecularDynamics/molecule/molecule/moleculeI.H
+++ b/src/lagrangian/molecularDynamics/molecule/molecule/moleculeI.H
@@ -29,6 +29,7 @@ License
 inline Foam::molecule::constantProperties::constantProperties()
 :
     siteReferencePositions_(Field<vector>(0)),
+    siteMasses_(List<scalar>(0)),
     siteCharges_(List<scalar>(0)),
     siteIds_(List<label>(0)),
     pairPotentialSites_(List<bool>(false)),
@@ -44,6 +45,7 @@ inline Foam::molecule::constantProperties::constantProperties
 )
 :
     siteReferencePositions_(dict.lookup("siteReferencePositions")),
+    siteMasses_(dict.lookup("siteMasses")),
     siteCharges_(dict.lookup("siteCharges")),
     siteIds_(List<word>(dict.lookup("siteIds")).size(), -1),
     pairPotentialSites_(),
@@ -59,9 +61,7 @@ inline Foam::molecule::constantProperties::constantProperties
         List<word>(dict.lookup("pairPotentialSiteIds"))
     );
 
-    scalarList siteMasses(dict.lookup("siteMasses"));
-
-    mass_ = sum(siteMasses);
+    mass_ = sum(siteMasses_);
 
     vector centreOfMass(vector::zero);
 
@@ -70,7 +70,7 @@ inline Foam::molecule::constantProperties::constantProperties
 
     forAll(siteReferencePositions_, i)
     {
-        centreOfMass += siteReferencePositions_[i]*siteMasses[i];
+        centreOfMass += siteReferencePositions_[i]*siteMasses_[i];
     }
 
     centreOfMass /= mass_;
@@ -106,7 +106,7 @@ inline Foam::molecule::constantProperties::constantProperties
 
         forAll(siteReferencePositions_, i)
         {
-            centreOfMass += siteReferencePositions_[i]*siteMasses[i];
+            centreOfMass += siteReferencePositions_[i]*siteMasses_[i];
         }
 
         centreOfMass /= mass_;
@@ -119,7 +119,7 @@ inline Foam::molecule::constantProperties::constantProperties
         {
             const vector& p(siteReferencePositions_[i]);
 
-            momOfInertia += siteMasses[i]*diagTensor
+            momOfInertia += siteMasses_[i]*diagTensor
             (
                 0, p.x()*p.x(), p.x()*p.x()
             );
@@ -144,7 +144,7 @@ inline Foam::molecule::constantProperties::constantProperties
         {
             const vector& p(siteReferencePositions_[i]);
 
-            momOfInertia += siteMasses[i]*tensor
+            momOfInertia += siteMasses_[i]*tensor
             (
                 p.y()*p.y() + p.z()*p.z(), -p.x()*p.y(), -p.x()*p.z(),
                 -p.y()*p.x(), p.x()*p.x() + p.z()*p.z(), -p.y()*p.z(),
@@ -187,7 +187,7 @@ inline Foam::molecule::constantProperties::constantProperties
 
         forAll(siteReferencePositions_, i)
         {
-            centreOfMass += siteReferencePositions_[i]*siteMasses[i];
+            centreOfMass += siteReferencePositions_[i]*siteMasses_[i];
         }
 
         centreOfMass /= mass_;
@@ -203,7 +203,7 @@ inline Foam::molecule::constantProperties::constantProperties
         {
             const vector& p(siteReferencePositions_[i]);
 
-            momOfInertia += siteMasses[i]*tensor
+            momOfInertia += siteMasses_[i]*tensor
             (
                 p.y()*p.y() + p.z()*p.z(), -p.x()*p.y(), -p.x()*p.z(),
                 -p.y()*p.x(), p.x()*p.x() + p.z()*p.z(), -p.y()*p.z(),
@@ -337,6 +337,13 @@ Foam::molecule::constantProperties::siteReferencePositions() const
 }
 
 
+inline const Foam::List<Foam::scalar>&
+Foam::molecule::constantProperties::siteMasses() const
+{
+    return siteMasses_;
+}
+
+
 inline const Foam::List<Foam::scalar>&
 Foam::molecule::constantProperties::siteCharges() const
 {
diff --git a/src/lagrangian/molecularDynamics/molecule/molecule/moleculeIO.C b/src/lagrangian/molecularDynamics/molecule/molecule/moleculeIO.C
index e01e5ec328..a01458e177 100644
--- a/src/lagrangian/molecularDynamics/molecule/molecule/moleculeIO.C
+++ b/src/lagrangian/molecularDynamics/molecule/molecule/moleculeIO.C
@@ -239,6 +239,11 @@ void Foam::molecule::writeFields(const moleculeCloud& mC)
     orientation1.write();
     orientation2.write();
     orientation3.write();
+
+    mC.writeXYZ
+    (
+        mC.mesh().time().timePath() + "/lagrangian" + "/moleculeCloud.xmol"
+    );
 }
 
 
diff --git a/src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloud.C b/src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloud.C
index c187806f40..da2cb8c0f0 100644
--- a/src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloud.C
+++ b/src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloud.C
@@ -1039,6 +1039,7 @@ Foam::label Foam::moleculeCloud::nSites() const
     return n;
 }
 
+
 // * * * * * * * * * * * * * * * * Constructors  * * * * * * * * * * * * * * //
 
 Foam::moleculeCloud::moleculeCloud
@@ -1182,11 +1183,13 @@ void Foam::moleculeCloud::writeXYZ(const fileName& fName) const
 
     for (mol = this->begin(); mol != this->end(); ++mol)
     {
+        const molecule::constantProperties& cP = constProps(mol().id());
+
         forAll(mol().sitePositions(), i)
         {
             const point& sP = mol().sitePositions()[i];
 
-            str<< pot_.siteIdList()[constProps(mol().id()).siteIds()[i]]
+            str<< pot_.siteIdList()[cP.siteIds()[i]]
                 << ' ' << sP.x()*1e10
                 << ' ' << sP.y()*1e10
                 << ' ' << sP.z()*1e10

From 9a93918e1dea2ebb1a43afa5ae0977f748e1345c Mon Sep 17 00:00:00 2001
From: graham <graham.macpherson@strath.ac.uk>
Date: Tue, 27 Jan 2009 14:47:49 +0000
Subject: [PATCH 11/21] Measuring temperature by the average kinetic energy per
 degree of freedom to allow for a mix of linear, mono-atomic and 6dof
 molecules in a case.

---
 .../mdTools/meanMomentumEnergyAndNMols.H      | 43 +++++++++++--------
 .../molecule/mdTools/temperatureAndPressure.H | 14 +++---
 .../mdTools/temperatureAndPressureVariables.H |  2 +
 .../molecule/molecule/molecule.H              |  2 +
 .../molecule/molecule/moleculeI.H             | 19 +++++++-
 5 files changed, 54 insertions(+), 26 deletions(-)

diff --git a/src/lagrangian/molecularDynamics/molecule/mdTools/meanMomentumEnergyAndNMols.H b/src/lagrangian/molecularDynamics/molecule/mdTools/meanMomentumEnergyAndNMols.H
index 8688d63669..be97a829c1 100644
--- a/src/lagrangian/molecularDynamics/molecule/mdTools/meanMomentumEnergyAndNMols.H
+++ b/src/lagrangian/molecularDynamics/molecule/mdTools/meanMomentumEnergyAndNMols.H
@@ -52,6 +52,8 @@ scalar singleStepTotalrDotf = 0.0;
 
 label singleStepNMols = molecules.size();
 
+label singleStepDOFs = 0;
+
 {
     IDLList<molecule>::iterator mol(molecules.begin());
 
@@ -85,9 +87,11 @@ label singleStepNMols = molecules.size();
     {
         label molId = mol().id();
 
-        scalar molMass(molecules.constProps(molId).mass());
+        const molecule::constantProperties cP(molecules.constProps(molId));
 
-        const diagTensor& molMoI(molecules.constProps(molId).momentOfInertia());
+        scalar molMass(cP.mass());
+
+        const diagTensor& molMoI(cP.momentOfInertia());
 
         const vector& molV(mol().v());
 
@@ -112,6 +116,8 @@ label singleStepNMols = molecules.size();
         singleStepTotalPE += mol().potentialEnergy();
 
         singleStepTotalrDotf += tr(mol().rf());
+
+        singleStepDOFs += cP.degreesOfFreedom();
     }
 }
 
@@ -134,46 +140,49 @@ if (Pstream::parRun())
     reduce(singleStepTotalrDotf, sumOp<scalar>());
 
     reduce(singleStepNMols, sumOp<label>());
+
+    reduce(singleStepDOFs, sumOp<label>());
 }
 
 if (singleStepNMols)
 {
-    Info<< "Number of mols in system = "
+    Info<< "Number of molecules in system = "
         << singleStepNMols << nl
         << "Overall number density = "
         << singleStepNMols/meshVolume << nl
         << "Overall mass density = "
         << singleStepTotalMass/meshVolume << nl
-        << "Average linear momentum per mol = "
+        << "Average linear momentum per molecule = "
         << singleStepTotalLinearMomentum/singleStepNMols << ' '
         << mag(singleStepTotalLinearMomentum)/singleStepNMols << nl
-        << "Average angular momentum per mol = "
+        << "Average angular momentum per molecule = "
         << singleStepTotalAngularMomentum << ' '
         << mag(singleStepTotalAngularMomentum)/singleStepNMols << nl
         << "Maximum |velocity| = "
         << singleStepMaxVelocityMag << nl
-        << "Average linear KE per mol = "
+        << "Average linear KE per molecule = "
         << singleStepTotalLinearKE/singleStepNMols << nl
-        << "Average angular KE per mol = "
+        << "Average angular KE per molecule = "
         << singleStepTotalAngularKE/singleStepNMols << nl
-        << "Average PE per mol = "
+        << "Average PE per molecule = "
         << singleStepTotalPE/singleStepNMols << nl
-        << "Average TE per mol = "
+        << "Average TE per molecule = "
         <<
         (
             singleStepTotalLinearKE
-            + singleStepTotalAngularKE
-            + singleStepTotalPE
+          + singleStepTotalAngularKE
+          + singleStepTotalPE
         )
         /singleStepNMols
         << endl;
 
-//     Info << singleStepNMols << " "
-// //     << singleStepTotalMomentum/singleStepTotalMass << " "
-//     << singleStepMaxVelocityMag << " "
-//     << singleStepTotalKE/singleStepNMols << " "
-//     << singleStepTotalPE/singleStepNMols << " "
-//     << (singleStepTotalKE + singleStepTotalPE)/singleStepNMols << endl;
+        // Info << singleStepNMols << " "
+        //     << singleStepTotalMomentum/singleStepTotalMass << " "
+        //     << singleStepMaxVelocityMag << " "
+        //     << singleStepTotalKE/singleStepNMols << " "
+        //     << singleStepTotalPE/singleStepNMols << " "
+        //     << (singleStepTotalKE + singleStepTotalPE)
+        //        /singleStepNMols << endl;
 }
 else
 {
diff --git a/src/lagrangian/molecularDynamics/molecule/mdTools/temperatureAndPressure.H b/src/lagrangian/molecularDynamics/molecule/mdTools/temperatureAndPressure.H
index 250fa1e2ee..0718750e53 100644
--- a/src/lagrangian/molecularDynamics/molecule/mdTools/temperatureAndPressure.H
+++ b/src/lagrangian/molecularDynamics/molecule/mdTools/temperatureAndPressure.H
@@ -47,17 +47,17 @@ accumulatedTotalrDotfSum += singleStepTotalrDotf;
 
 accumulatedNMols += singleStepNMols;
 
+accumulatedDOFs += singleStepDOFs;
+
 if (runTime.outputTime())
 {
-    // calculate averages
-
     if (accumulatedNMols)
     {
         Info << "calculating averages" << endl;
 
         averageTemperature =
         (
-            2.0/(6.0 * moleculeCloud::kb * accumulatedNMols)
+            2.0/(moleculeCloud::kb * accumulatedDOFs)
             *
             (
                 accumulatedTotalLinearKE + accumulatedTotalAngularKE
@@ -79,8 +79,6 @@ if (runTime.outputTime())
             meshVolume
         );
 
-        // output values
-
         Info << "----------------------------------------" << nl
             << "Averaged properties" << nl
             << "Average |velocity| = "
@@ -91,12 +89,10 @@ if (runTime.outputTime())
     }
     else
     {
-        Info << "Not averaging temperature and pressure: "
+        Info<< "Not averaging temperature and pressure: "
             << "no molecules in system" << endl;
     }
 
-    // reset counters
-
     accumulatedTotalLinearMomentum = vector::zero;
 
     accumulatedTotalMass = 0.0;
@@ -110,6 +106,8 @@ if (runTime.outputTime())
     accumulatedTotalrDotfSum = 0.0;
 
     accumulatedNMols = 0;
+
+    accumulatedDOFs = 0;
 }
 
 // ************************************************************************* //
diff --git a/src/lagrangian/molecularDynamics/molecule/mdTools/temperatureAndPressureVariables.H b/src/lagrangian/molecularDynamics/molecule/mdTools/temperatureAndPressureVariables.H
index e5e236271f..196299e793 100644
--- a/src/lagrangian/molecularDynamics/molecule/mdTools/temperatureAndPressureVariables.H
+++ b/src/lagrangian/molecularDynamics/molecule/mdTools/temperatureAndPressureVariables.H
@@ -44,6 +44,8 @@ scalar accumulatedTotalrDotfSum = 0.0;
 
 label accumulatedNMols = 0;
 
+label accumulatedDOFs = 0;
+
 scalar averageTemperature = 0.0;
 
 scalar averagePressure = 0.0;
diff --git a/src/lagrangian/molecularDynamics/molecule/molecule/molecule.H b/src/lagrangian/molecularDynamics/molecule/molecule/molecule.H
index 7cf42d351b..6734671596 100644
--- a/src/lagrangian/molecularDynamics/molecule/molecule/molecule.H
+++ b/src/lagrangian/molecularDynamics/molecule/molecule/molecule.H
@@ -141,6 +141,8 @@ public:
 
         inline bool pointMolecule() const;
 
+        inline label degreesOfFreedom() const;
+
         inline scalar mass() const;
 
         inline label nSites() const;
diff --git a/src/lagrangian/molecularDynamics/molecule/molecule/moleculeI.H b/src/lagrangian/molecularDynamics/molecule/molecule/moleculeI.H
index c514c336d0..824a8acf80 100644
--- a/src/lagrangian/molecularDynamics/molecule/molecule/moleculeI.H
+++ b/src/lagrangian/molecularDynamics/molecule/molecule/moleculeI.H
@@ -423,7 +423,7 @@ Foam::molecule::constantProperties::momentOfInertia() const
 
 inline bool Foam::molecule::constantProperties::linearMolecule() const
 {
-    return (momentOfInertia_.xx() < 0);
+    return ((momentOfInertia_.xx() < 0) && (momentOfInertia_.yy() > 0));
 }
 
 
@@ -433,6 +433,23 @@ inline bool Foam::molecule::constantProperties::pointMolecule() const
 }
 
 
+inline Foam::label Foam::molecule::constantProperties::degreesOfFreedom() const
+{
+    if (linearMolecule())
+    {
+        return 5;
+    }
+    else if (pointMolecule())
+    {
+        return 3;
+    }
+    else
+    {
+        return 6;
+    }
+}
+
+
 inline Foam::scalar Foam::molecule::constantProperties::mass() const
 {
     return mass_;

From 00760e435f1f735526dfc4029f668598181ae5a2 Mon Sep 17 00:00:00 2001
From: graham <graham.macpherson@strath.ac.uk>
Date: Thu, 29 Jan 2009 13:33:05 +0000
Subject: [PATCH 12/21] whitespace removal.

---
 .../molecule/mdTools/averageMDFields.H        | 74 +++++++++----------
 1 file changed, 37 insertions(+), 37 deletions(-)

diff --git a/src/lagrangian/molecularDynamics/molecule/mdTools/averageMDFields.H b/src/lagrangian/molecularDynamics/molecule/mdTools/averageMDFields.H
index db0c24bc95..7d03872950 100644
--- a/src/lagrangian/molecularDynamics/molecule/mdTools/averageMDFields.H
+++ b/src/lagrangian/molecularDynamics/molecule/mdTools/averageMDFields.H
@@ -5,68 +5,68 @@ if (runTime.outputTime())
     \*-----------------------------------------------------------------------*/
 
     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] = 
+                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
@@ -75,7 +75,7 @@ if (runTime.outputTime())
             }
         }
     }
-    
+
     forAll(totalVelocity.internalField(), tV)
     {
         if(totalMass_sum[tV] > VSMALL)
@@ -90,29 +90,29 @@ if (runTime.outputTime())
             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] = 
+                singleSpeciesTemp[sST] =
                     allSpeciesM_RU[t][sST]
                     /allSpeciesN_RU[t][sST]
                     /(3.0 * moleculeCloud::kb * allSpeciesN_RU[t][sST])
@@ -127,7 +127,7 @@ if (runTime.outputTime())
                         )
                         /allSpeciesN_RU[t][sST]
                     );
-                    
+
                 totalTemperatureVTerms_sum[sST] +=
                     allSpeciesM_RU[t][sST]
                     /allSpeciesN_RU[t][sST]
@@ -142,7 +142,7 @@ if (runTime.outputTime())
                         )
                         /allSpeciesN_RU[t][sST]
                     );
-                    
+
                 totalN_sum[sST] += allSpeciesN_RU[t][sST];
             }
             else
@@ -151,7 +151,7 @@ if (runTime.outputTime())
             }
         }
     }
-    
+
     forAll(totalTemperature.internalField(), tT)
     {
         if(totalN_sum[tT] > 0)
@@ -165,27 +165,27 @@ if (runTime.outputTime())
             totalTemperature.internalField()[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] = 
+                singleSpeciesMeanKE[sSMKE] =
                     allSpeciesM_RU[mKE][sSMKE]
                     /allSpeciesN_RU[mKE][sSMKE]
                     /(2.0 * allSpeciesN_RU[mKE][sSMKE])
@@ -193,7 +193,7 @@ if (runTime.outputTime())
                     (
                         allSpeciesVelocityMagSquaredSum_RU[mKE][sSMKE]
                     );
-                    
+
                 totalKE_sum[sSMKE] +=
                     allSpeciesM_RU[mKE][sSMKE]
                     /allSpeciesN_RU[mKE][sSMKE]
@@ -209,7 +209,7 @@ if (runTime.outputTime())
             }
         }
     }
-    
+
     forAll(totalMeanKE.internalField(), tMKE)
     {
         if(totalN_sum[tMKE] > 0)

From c29b236d4472690f8215ddf7c7e5a63485029601 Mon Sep 17 00:00:00 2001
From: graham <g.macpherson@opencfd.co.uk>
Date: Mon, 18 May 2009 11:49:32 +0100
Subject: [PATCH 13/21] Bug fixes from:

http://www.cfd-online.com/Forums/openfoam-bugs/64379-bugs-moleculedynamics-
model.html

http://www.cfd-online.com/Forums/openfoam-bugs/64383-fix-taking-reference-
temporary-object-tetherpotentiallist-c.html
---
 .../directInteractionList/directInteractionList.C             | 4 ++--
 .../pairPotential/pairPotentialList/pairPotentialList.C       | 4 ++--
 2 files changed, 4 insertions(+), 4 deletions(-)

diff --git a/src/lagrangian/molecularDynamics/molecule/interactionLists/directInteractionList/directInteractionList.C b/src/lagrangian/molecularDynamics/molecule/interactionLists/directInteractionList/directInteractionList.C
index ba3a3d9066..a28d530015 100644
--- a/src/lagrangian/molecularDynamics/molecule/interactionLists/directInteractionList/directInteractionList.C
+++ b/src/lagrangian/molecularDynamics/molecule/interactionLists/directInteractionList/directInteractionList.C
@@ -119,8 +119,6 @@ void Foam::directInteractionList::buildDirectInteractionList
 
                     const label cellO(mesh.faceOwner()[f]);
 
-                    const label cellN(mesh.faceNeighbour()[f]);
-
                     forAll(pCells, pC)
                     {
                         const label cellI(pCells[pC]);
@@ -156,6 +154,8 @@ void Foam::directInteractionList::buildDirectInteractionList
                             // boundary faces will not have neighbour
                             // information
 
+                            const label cellN(mesh.faceNeighbour()[f]);
+
                             if (cellN > cellI)
                             {
                                 if
diff --git a/src/lagrangian/molecularDynamics/potential/pairPotential/pairPotentialList/pairPotentialList.C b/src/lagrangian/molecularDynamics/potential/pairPotential/pairPotentialList/pairPotentialList.C
index c9ff27fe1d..8720368a5d 100644
--- a/src/lagrangian/molecularDynamics/potential/pairPotential/pairPotentialList/pairPotentialList.C
+++ b/src/lagrangian/molecularDynamics/potential/pairPotential/pairPotentialList/pairPotentialList.C
@@ -225,7 +225,7 @@ const Foam::pairPotential& Foam::pairPotentialList::pairPotentialFunction
 
 bool Foam::pairPotentialList::rCutMaxSqr(const scalar rIJMagSqr) const
 {
-    if (rIJMagSqr <= rCutMaxSqr_)
+    if (rIJMagSqr < rCutMaxSqr_)
     {
         return true;
     }
@@ -243,7 +243,7 @@ bool Foam::pairPotentialList::rCutSqr
     const scalar rIJMagSqr
 ) const
 {
-    if (rIJMagSqr <= rCutSqr (a, b))
+    if (rIJMagSqr < rCutSqr (a, b))
     {
         return true;
     }

From 1c6d3e2cbf97762d7f92cfdc77d94d5cb850acfc Mon Sep 17 00:00:00 2001
From: graham <g.macpherson@opencfd.co.uk>
Date: Mon, 18 May 2009 14:12:06 +0100
Subject: [PATCH 14/21] Formatting changes

---
 .../pairPotentialList/pairPotentialList.C     | 38 +++++++++----------
 .../tetherPotentialList/tetherPotentialList.C |  6 +--
 2 files changed, 22 insertions(+), 22 deletions(-)

diff --git a/src/lagrangian/molecularDynamics/potential/pairPotential/pairPotentialList/pairPotentialList.C b/src/lagrangian/molecularDynamics/potential/pairPotential/pairPotentialList/pairPotentialList.C
index 8720368a5d..4baf91932f 100644
--- a/src/lagrangian/molecularDynamics/potential/pairPotential/pairPotentialList/pairPotentialList.C
+++ b/src/lagrangian/molecularDynamics/potential/pairPotential/pairPotentialList/pairPotentialList.C
@@ -60,9 +60,9 @@ void Foam::pairPotentialList::readPairPotentialDict
                 else
                 {
                     FatalErrorIn("pairPotentialList::buildPotentials") << nl
-                            << "Pair pairPotential specification subDict "
-                            << idA << "-" << idB << " not found"
-                            << nl << abort(FatalError);
+                        << "Pair pairPotential specification subDict "
+                        << idA << "-" << idB << " not found"
+                        << nl << abort(FatalError);
                 }
             }
             else
@@ -80,10 +80,10 @@ void Foam::pairPotentialList::readPairPotentialDict
                 else
                 {
                     FatalErrorIn("pairPotentialList::buildPotentials") << nl
-                            << "Pair pairPotential specification subDict "
-                            << idA << "-" << idB << " or "
-                            << idB << "-" << idA << " not found"
-                            << nl << abort(FatalError);
+                        << "Pair pairPotential specification subDict "
+                        << idA << "-" << idB << " or "
+                        << idB << "-" << idA << " not found"
+                        << nl << abort(FatalError);
                 }
 
                 if
@@ -93,10 +93,10 @@ void Foam::pairPotentialList::readPairPotentialDict
                 )
                 {
                     FatalErrorIn("pairPotentialList::buildPotentials") << nl
-                            << "Pair pairPotential specification subDict "
-                            << idA << "-" << idB << " and "
-                            << idB << "-" << idA << " found multiple definition"
-                            << nl << abort(FatalError);
+                        << "Pair pairPotential specification subDict "
+                        << idA << "-" << idB << " and "
+                        << idB << "-" << idA << " found multiple definition"
+                        << nl << abort(FatalError);
                 }
             }
 
@@ -219,7 +219,7 @@ const Foam::pairPotential& Foam::pairPotentialList::pairPotentialFunction
     const label b
 ) const
 {
-    return (*this)[pairPotentialIndex (a, b)];
+    return (*this)[pairPotentialIndex(a, b)];
 }
 
 
@@ -243,7 +243,7 @@ bool Foam::pairPotentialList::rCutSqr
     const scalar rIJMagSqr
 ) const
 {
-    if (rIJMagSqr < rCutSqr (a, b))
+    if (rIJMagSqr < rCutSqr(a, b))
     {
         return true;
     }
@@ -260,7 +260,7 @@ Foam::scalar Foam::pairPotentialList::rMin
     const label b
 ) const
 {
-    return (*this)[pairPotentialIndex (a, b)].rMin();
+    return (*this)[pairPotentialIndex(a, b)].rMin();
 }
 
 
@@ -270,7 +270,7 @@ Foam::scalar Foam::pairPotentialList::dr
     const label b
 ) const
 {
-    return (*this)[pairPotentialIndex (a, b)].dr();
+    return (*this)[pairPotentialIndex(a, b)].dr();
 }
 
 
@@ -280,7 +280,7 @@ Foam::scalar Foam::pairPotentialList::rCutSqr
     const label b
 ) const
 {
-    return (*this)[pairPotentialIndex (a, b)].rCutSqr();
+    return (*this)[pairPotentialIndex(a, b)].rCutSqr();
 }
 
 
@@ -290,7 +290,7 @@ Foam::scalar Foam::pairPotentialList::rCut
     const label b
 ) const
 {
-    return (*this)[pairPotentialIndex (a, b)].rCut();
+    return (*this)[pairPotentialIndex(a, b)].rCut();
 }
 
 
@@ -301,7 +301,7 @@ Foam::scalar Foam::pairPotentialList::force
     const scalar rIJMag
 ) const
 {
-    scalar f = (*this)[pairPotentialIndex (a, b)].force(rIJMag);
+    scalar f = (*this)[pairPotentialIndex(a, b)].force(rIJMag);
 
     return f;
 }
@@ -314,7 +314,7 @@ Foam::scalar Foam::pairPotentialList::energy
     const scalar rIJMag
 ) const
 {
-    scalar e = (*this)[pairPotentialIndex (a, b)].energy(rIJMag);
+    scalar e = (*this)[pairPotentialIndex(a, b)].energy(rIJMag);
 
     return e;
 }
diff --git a/src/lagrangian/molecularDynamics/potential/tetherPotential/tetherPotentialList/tetherPotentialList.C b/src/lagrangian/molecularDynamics/potential/tetherPotential/tetherPotentialList/tetherPotentialList.C
index 79a1ce83d7..9d52d49c06 100644
--- a/src/lagrangian/molecularDynamics/potential/tetherPotential/tetherPotentialList/tetherPotentialList.C
+++ b/src/lagrangian/molecularDynamics/potential/tetherPotential/tetherPotentialList/tetherPotentialList.C
@@ -131,7 +131,7 @@ const Foam::tetherPotential& Foam::tetherPotentialList::tetherPotentialFunction
     const label a
 ) const
 {
-    return (*this)[tetherPotentialIndex (a)];
+    return (*this)[tetherPotentialIndex(a)];
 }
 
 
@@ -141,7 +141,7 @@ Foam::vector Foam::tetherPotentialList::force
     const vector rIT
 ) const
 {
-    return (*this)[tetherPotentialIndex (a)].force(rIT);
+    return (*this)[tetherPotentialIndex(a)].force(rIT);
 }
 
 
@@ -151,7 +151,7 @@ Foam::scalar Foam::tetherPotentialList::energy
     const vector rIT
 ) const
 {
-    return (*this)[tetherPotentialIndex (a)].energy(rIT);
+    return (*this)[tetherPotentialIndex(a)].energy(rIT);
 }
 
 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //

From 8f5e38ac9c9930df342104e2c3e0ded602298ec5 Mon Sep 17 00:00:00 2001
From: graham <g.macpherson@opencfd.co.uk>
Date: Wed, 17 Jun 2009 15:11:06 +0100
Subject: [PATCH 15/21] Modified copyright years, removed old molConfig.

---
 .../mdEquilibrationFoam/mdEquilibrationFoam.C |   2 +-
 .../molecularDynamics/mdFoam/mdFoam.C         |   2 +-
 .../preProcessing/mdInitialise/mdInitialise.C |   2 +-
 .../mdInitialise/molConfig_old/Make/files     |   8 -
 .../mdInitialise/molConfig_old/Make/options   |  17 --
 .../molConfig_old/correctVelocities.H         |  21 --
 .../molConfig_old/createMolecules.C           | 253 ------------------
 .../molConfig_old/createPositions.H           |  26 --
 .../molConfig_old/createVelocities.H          |  13 -
 .../mdInitialise/molConfig_old/genMolConfig.C | 129 ---------
 .../molConfig_old/latticeStructures/BCC.H     | 179 -------------
 .../molConfig_old/latticeStructures/FCC.H     | 217 ---------------
 .../molConfig_old/latticeStructures/SC.H      | 127 ---------
 .../mdInitialise/molConfig_old/molConfig.C    |  50 ----
 .../mdInitialise/molConfig_old/molConfig.H    | 147 ----------
 .../mdInitialise/molConfig_old/molConfigI.H   |  98 -------
 .../mdInitialise/molConfig_old/origin.H       |  49 ----
 .../molConfig_old/readZoneSubDict.H           |  93 -------
 .../molConfig_old/startingPoint.H             |  97 -------
 .../velocityDistributions/maxwellian.H        |  26 --
 .../velocityDistributions/uniform.H           |  27 --
 .../bufferedAccumulator/bufferedAccumulator.C |   2 +-
 .../bufferedAccumulator/bufferedAccumulator.H |   2 +-
 .../bufferedAccumulatorI.H                    |   2 +-
 .../bufferedAccumulatorIO.C                   |   2 +-
 .../correlationFunction/correlationFunction.C |   2 +-
 .../correlationFunction/correlationFunction.H |   2 +-
 .../correlationFunctionI.H                    |   2 +-
 .../correlationFunctionIO.C                   |   2 +-
 .../distribution/distribution.C               |   2 +-
 .../distribution/distribution.H               |   2 +-
 .../distribution/distributionI.H              |   2 +-
 .../distribution/distributionIO.C             |   2 +-
 .../directInteractionList.C                   |   2 +-
 .../directInteractionList.H                   |   2 +-
 .../directInteractionListI.H                  |   2 +-
 .../interactionLists/interactionLists.C       |   2 +-
 .../interactionLists/interactionLists.H       |   2 +-
 .../interactionLists/interactionListsI.H      |   2 +-
 .../referralLists/receivingReferralList.C     |   2 +-
 .../referralLists/receivingReferralList.H     |   2 +-
 .../referralLists/receivingReferralListI.H    |   2 +-
 .../referralLists/sendingReferralList.C       |   2 +-
 .../referralLists/sendingReferralList.H       |   2 +-
 .../referralLists/sendingReferralListI.H      |   2 +-
 .../referredCell/referredCell.C               |   2 +-
 .../referredCell/referredCell.H               |   2 +-
 .../referredCell/referredCellI.H              |   2 +-
 .../referredCellList/referredCellList.C       |   2 +-
 .../referredCellList/referredCellList.H       |   2 +-
 .../referredCellList/referredCellListI.H      |   2 +-
 .../referredMolecule/referredMolecule.C       |   2 +-
 .../referredMolecule/referredMolecule.H       |   2 +-
 .../referredMolecule/referredMoleculeI.H      |   2 +-
 .../calculateAutoCorrelationFunctions.H       |   2 +-
 .../mdTools/calculateTransportProperties.H    |   2 +-
 .../mdTools/createAutoCorrelationFunctions.H  |   2 +-
 .../mdTools/meanMomentumEnergyAndNMols.H      |   2 +-
 .../molecule/mdTools/temperatureAndPressure.H |   2 +-
 .../mdTools/temperatureAndPressureVariables.H |   2 +-
 .../mdTools/temperatureEquilibration.H        |   2 +-
 .../molecule/molecule/molecule.C              |   2 +-
 .../molecule/molecule/molecule.H              |   2 +-
 .../molecule/molecule/moleculeI.H             |   2 +-
 .../molecule/molecule/moleculeIO.C            |   2 +-
 .../molecule/moleculeCloud/moleculeCloud.C    |   2 +-
 .../molecule/moleculeCloud/moleculeCloud.H    |   2 +-
 .../molecule/moleculeCloud/moleculeCloudI.H   |   2 +-
 .../molecule/reducedUnits/reducedUnits.C      |   2 +-
 .../molecule/reducedUnits/reducedUnits.H      |   2 +-
 .../molecule/reducedUnits/reducedUnitsI.H     |   2 +-
 .../molecule/reducedUnits/reducedUnitsIO.C    |   2 +-
 .../electrostaticPotential.C                  |   2 +-
 .../electrostaticPotential.H                  |   2 +-
 .../basic/energyScalingFunction.C             |   2 +-
 .../basic/energyScalingFunction.H             |   2 +-
 .../basic/newEnergyScalingFunction.C          |   2 +-
 .../derived/doubleSigmoid/doubleSigmoid.C     |   2 +-
 .../derived/doubleSigmoid/doubleSigmoid.H     |   2 +-
 .../derived/noScaling/noScaling.C             |   2 +-
 .../derived/noScaling/noScaling.H             |   2 +-
 .../derived/shifted/shifted.C                 |   2 +-
 .../derived/shifted/shifted.H                 |   2 +-
 .../derived/shiftedForce/shiftedForce.C       |   2 +-
 .../derived/shiftedForce/shiftedForce.H       |   2 +-
 .../derived/sigmoid/sigmoid.C                 |   2 +-
 .../derived/sigmoid/sigmoid.H                 |   2 +-
 .../pairPotential/basic/newPairPotential.C    |   2 +-
 .../pairPotential/basic/pairPotential.C       |   2 +-
 .../pairPotential/basic/pairPotential.H       |   2 +-
 .../pairPotential/basic/pairPotentialI.H      |   2 +-
 .../pairPotential/basic/pairPotentialIO.C     |   2 +-
 .../pairPotential/derived/azizChen/azizChen.C |   2 +-
 .../pairPotential/derived/azizChen/azizChen.H |   2 +-
 .../pairPotential/derived/coulomb/coulomb.C   |   2 +-
 .../pairPotential/derived/coulomb/coulomb.H   |   2 +-
 .../derived/dampedCoulomb/dampedCoulomb.C     |   2 +-
 .../derived/dampedCoulomb/dampedCoulomb.H     |   2 +-
 .../exponentialRepulsion.C                    |   2 +-
 .../exponentialRepulsion.H                    |   2 +-
 .../derived/lennardJones/lennardJones.C       |   2 +-
 .../derived/lennardJones/lennardJones.H       |   2 +-
 .../derived/maitlandSmith/maitlandSmith.C     |   2 +-
 .../derived/maitlandSmith/maitlandSmith.H     |   2 +-
 .../derived/noInteraction/noInteraction.C     |   2 +-
 .../derived/noInteraction/noInteraction.H     |   2 +-
 .../pairPotentialList/pairPotentialList.C     |   2 +-
 .../pairPotentialList/pairPotentialList.H     |   2 +-
 .../pairPotentialList/pairPotentialListI.H    |   2 +-
 .../potential/potential/potential.C           |   2 +-
 .../potential/potential/potential.H           |   2 +-
 .../potential/potential/potentialI.H          |   2 +-
 .../basic/newTetherPotential.C                |   2 +-
 .../tetherPotential/basic/tetherPotential.C   |   2 +-
 .../tetherPotential/basic/tetherPotential.H   |   2 +-
 .../derived/harmonicSpring/harmonicSpring.C   |   2 +-
 .../derived/harmonicSpring/harmonicSpring.H   |   2 +-
 .../derived/pitchForkRing/pitchForkRing.C     |   2 +-
 .../derived/pitchForkRing/pitchForkRing.H     |   2 +-
 .../restrainedHarmonicSpring.C                |   2 +-
 .../restrainedHarmonicSpring.H                |   2 +-
 .../tetherPotentialList/tetherPotentialList.C |   2 +-
 .../tetherPotentialList/tetherPotentialList.H |   2 +-
 .../tetherPotentialListI.H                    |   2 +-
 124 files changed, 106 insertions(+), 1683 deletions(-)
 delete mode 100755 applications/utilities/preProcessing/mdInitialise/molConfig_old/Make/files
 delete mode 100755 applications/utilities/preProcessing/mdInitialise/molConfig_old/Make/options
 delete mode 100644 applications/utilities/preProcessing/mdInitialise/molConfig_old/correctVelocities.H
 delete mode 100644 applications/utilities/preProcessing/mdInitialise/molConfig_old/createMolecules.C
 delete mode 100644 applications/utilities/preProcessing/mdInitialise/molConfig_old/createPositions.H
 delete mode 100644 applications/utilities/preProcessing/mdInitialise/molConfig_old/createVelocities.H
 delete mode 100644 applications/utilities/preProcessing/mdInitialise/molConfig_old/genMolConfig.C
 delete mode 100644 applications/utilities/preProcessing/mdInitialise/molConfig_old/latticeStructures/BCC.H
 delete mode 100644 applications/utilities/preProcessing/mdInitialise/molConfig_old/latticeStructures/FCC.H
 delete mode 100644 applications/utilities/preProcessing/mdInitialise/molConfig_old/latticeStructures/SC.H
 delete mode 100644 applications/utilities/preProcessing/mdInitialise/molConfig_old/molConfig.C
 delete mode 100644 applications/utilities/preProcessing/mdInitialise/molConfig_old/molConfig.H
 delete mode 100644 applications/utilities/preProcessing/mdInitialise/molConfig_old/molConfigI.H
 delete mode 100644 applications/utilities/preProcessing/mdInitialise/molConfig_old/origin.H
 delete mode 100644 applications/utilities/preProcessing/mdInitialise/molConfig_old/readZoneSubDict.H
 delete mode 100644 applications/utilities/preProcessing/mdInitialise/molConfig_old/startingPoint.H
 delete mode 100644 applications/utilities/preProcessing/mdInitialise/molConfig_old/velocityDistributions/maxwellian.H
 delete mode 100644 applications/utilities/preProcessing/mdInitialise/molConfig_old/velocityDistributions/uniform.H

diff --git a/applications/solvers/discreteMethods/molecularDynamics/mdEquilibrationFoam/mdEquilibrationFoam.C b/applications/solvers/discreteMethods/molecularDynamics/mdEquilibrationFoam/mdEquilibrationFoam.C
index a124288dc5..ea10d9129f 100644
--- a/applications/solvers/discreteMethods/molecularDynamics/mdEquilibrationFoam/mdEquilibrationFoam.C
+++ b/applications/solvers/discreteMethods/molecularDynamics/mdEquilibrationFoam/mdEquilibrationFoam.C
@@ -2,7 +2,7 @@
  =========                   |
  \\      /   F ield          | OpenFOAM: The Open Source CFD Toolbox
   \\    /    O peration      |
-   \\  /     A nd            | Copyright (C) 1991-2009 OpenCFD Ltd.
+   \\  /     A nd            | Copyright (C) 2008-2009 OpenCFD Ltd.
     \\/      M anipulation   |
 -------------------------------------------------------------------------------
 License
diff --git a/applications/solvers/discreteMethods/molecularDynamics/mdFoam/mdFoam.C b/applications/solvers/discreteMethods/molecularDynamics/mdFoam/mdFoam.C
index 287065754e..9fafafe1c9 100644
--- a/applications/solvers/discreteMethods/molecularDynamics/mdFoam/mdFoam.C
+++ b/applications/solvers/discreteMethods/molecularDynamics/mdFoam/mdFoam.C
@@ -2,7 +2,7 @@
  =========                   |
  \\      /   F ield          | OpenFOAM: The Open Source CFD Toolbox
   \\    /    O peration      |
-   \\  /     A nd            | Copyright (C) 1991-2009 OpenCFD Ltd.
+   \\  /     A nd            | Copyright (C) 2008-2009 OpenCFD Ltd.
     \\/      M anipulation   |
 -------------------------------------------------------------------------------
 License
diff --git a/applications/utilities/preProcessing/mdInitialise/mdInitialise.C b/applications/utilities/preProcessing/mdInitialise/mdInitialise.C
index 2f06531e33..ecd0221957 100644
--- a/applications/utilities/preProcessing/mdInitialise/mdInitialise.C
+++ b/applications/utilities/preProcessing/mdInitialise/mdInitialise.C
@@ -2,7 +2,7 @@
  =========                   |
  \\      /   F ield          | OpenFOAM: The Open Source CFD Toolbox
   \\    /    O peration      |
-   \\  /     A nd            | Copyright (C) 1991-2009 OpenCFD Ltd.
+   \\  /     A nd            | Copyright (C) 2008-2009 OpenCFD Ltd.
     \\/      M anipulation   |
 -------------------------------------------------------------------------------
 License
diff --git a/applications/utilities/preProcessing/mdInitialise/molConfig_old/Make/files b/applications/utilities/preProcessing/mdInitialise/molConfig_old/Make/files
deleted file mode 100755
index 6501e68426..0000000000
--- a/applications/utilities/preProcessing/mdInitialise/molConfig_old/Make/files
+++ /dev/null
@@ -1,8 +0,0 @@
-latticeStructures = latticeStructures
-velocityDistributions = velocityDistributions
-
-createMolecules.C
-molConfig.C
-genMolConfig.C
-
-EXE = $(FOAM_APPBIN)/molConfig
diff --git a/applications/utilities/preProcessing/mdInitialise/molConfig_old/Make/options b/applications/utilities/preProcessing/mdInitialise/molConfig_old/Make/options
deleted file mode 100755
index aab9a2ca4f..0000000000
--- a/applications/utilities/preProcessing/mdInitialise/molConfig_old/Make/options
+++ /dev/null
@@ -1,17 +0,0 @@
-EXE_INC = \
-    -I$(latticeStructures) \
-    -I$(velocityDistributions) \
-    -I$(LIB_SRC)/meshTools/lnInclude \
-    -I$(LIB_SRC)/dynamicMesh/lnInclude \
-    -I$(LIB_SRC)/lagrangian/molecularDynamics/molecule/lnInclude \
-    -I$(LIB_SRC)/lagrangian/molecularDynamics/potential/lnInclude \
-    -I$(LIB_SRC)/lagrangian/basic/lnInclude \
-    -I$(LIB_SRC)/finiteVolume/lnInclude
-
-EXE_LIBS = \
-    -lmeshTools \
-    -ldynamicMesh \
-    -lfiniteVolume \
-    -llagrangian \
-    -lmolecule \
-    -lpotential
diff --git a/applications/utilities/preProcessing/mdInitialise/molConfig_old/correctVelocities.H b/applications/utilities/preProcessing/mdInitialise/molConfig_old/correctVelocities.H
deleted file mode 100644
index 0c69f15c7c..0000000000
--- a/applications/utilities/preProcessing/mdInitialise/molConfig_old/correctVelocities.H
+++ /dev/null
@@ -1,21 +0,0 @@
-for (molN = totalMols; molN < totalMols + totalZoneMols; molN++)
-{
-
-    // Remove bulk momentum introduced by random numbers and add
-    // desired bulk velocity
-
-    // For systems with molecules of significantly differing masses, this may
-    // need to be an iterative process or employ a better algorithm for
-    // removing an appropriate share of the excess momentum from each molecule.
-
-    initialVelocities(molN) += bulkVelocity - momentumSum/totalZoneMols/mass;
-}
-
-// momentumSum = vector::zero;
-//
-// for (molN = totalMols; molN < totalMols + totalZoneMols; molN++)
-// {
-//     momentumSum += mass*initialVelocities(molN);
-// }
-//
-// Info << "Check momentum adjustment: " << momentumSum << endl;
diff --git a/applications/utilities/preProcessing/mdInitialise/molConfig_old/createMolecules.C b/applications/utilities/preProcessing/mdInitialise/molConfig_old/createMolecules.C
deleted file mode 100644
index dbb0f680ce..0000000000
--- a/applications/utilities/preProcessing/mdInitialise/molConfig_old/createMolecules.C
+++ /dev/null
@@ -1,253 +0,0 @@
-/*---------------------------------------------------------------------------*\
-  =========                 |
-  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
-   \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 1991-2009 OpenCFD Ltd.
-     \\/     M anipulation  |
--------------------------------------------------------------------------------
-License
-    This file is part of OpenFOAM.
-
-    OpenFOAM is free software; you can redistribute it and/or modify it
-    under the terms of the GNU General Public License as published by the
-    Free Software Foundation; either version 2 of the License, or (at your
-    option) any later version.
-
-    OpenFOAM is distributed in the hope that it will be useful, but WITHOUT
-    ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
-    FITNESS FOR A PARTICULAR PURPOSE.  See the GNU General Public License
-    for more details.
-
-    You should have received a copy of the GNU General Public License
-    along with OpenFOAM; if not, write to the Free Software Foundation,
-    Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
-
-\*----------------------------------------------------------------------------*/
-
-#include "molConfig.H"
-
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-
-void Foam::molConfig::createMolecules()
-{
-    Info<< nl << "Creating molecules from zone specifications\n" << endl;
-
-    DynamicList<vector> initialPositions(0);
-
-    DynamicList<label> initialIds(0);
-
-    DynamicList<scalar> initialMasses(0);
-
-    DynamicList<label> initialCelli(0);
-
-    DynamicList<vector> initialVelocities(0);
-
-    DynamicList<vector> initialAccelerations(0);
-
-    DynamicList<label> initialTethered(0);
-
-    DynamicList<vector> initialTetherPositions(0);
-
-    label totalMols = 0;
-
-    label idAssign;
-
-    Random rand(clock::getTime());
-
-// * * * * * * * * Building the IdList * * * * * * * * * //
-
-//Notes: - each processor will have an identical idList_.
-//       - The order of id's inside the idList_ depends on the order
-//         of subDicts inside the molConigDict.
-
-    Info<< "Building the idList: " ;
-
-    forAll(molConfigDescription_.toc(), cZs)
-    {
-        word subDictName (molConfigDescription_.toc()[cZs]);
-
-        word iD (molConfigDescription_.subDict(subDictName).lookup("id"));
-
-        if (findIndex(idList_,iD) == -1)
-        {
-            idList_.append(iD);
-        }
-    }
-
-    forAll(idList_, i)
-    {
-        Info << " " << idList_[i];
-    }
-
-    Info << nl << endl;
-
-// * * * * * * * * Filling the Mesh * * * * * * * * * //
-
-    const cellZoneMesh& cellZoneI = mesh_.cellZones();
-
-    if (cellZoneI.size())
-    {
-        Info<< "Filling the zones with molecules." << nl << endl;
-    }
-    else
-    {
-        FatalErrorIn("void createMolecules()\n")
-            << "No cellZones found in mesh description."
-            << abort(FatalError);
-    }
-
-    forAll (cellZoneI, cZ)
-    {
-        if (cellZoneI[cZ].size())
-        {
-            if (!molConfigDescription_.found(cellZoneI[cZ].name()))
-            {
-                Info << "Zone specification subDictionary: "
-                    << cellZoneI[cZ].name() << " not found." << endl;
-            }
-            else
-            {
-                label n = 0;
-
-                label totalZoneMols = 0;
-
-                label molsPlacedThisIteration;
-
-#               include "readZoneSubDict.H"
-
-                idAssign = findIndex(idList_,id);
-
-#               include "startingPoint.H"
-
-                // Continue trying to place molecules as long as at
-                // least one molecule is placed in each iteration.
-                // The "|| totalZoneMols == 0" condition means that the
-                // algorithm will continue if the origin is outside the
-                // zone - it will cause an infinite loop if no molecules
-                // are ever placed by the algorithm.
-
-                if (latticeStructure != "empty")
-                {
-
-                    while
-                    (
-                        molsPlacedThisIteration != 0
-                     || totalZoneMols == 0
-                    )
-                    {
-                        molsPlacedThisIteration = 0;
-
-                        bool partOfLayerInBounds = false;
-
-#                       include "createPositions.H"
-
-                        if
-                        (
-                            totalZoneMols == 0
-                         && !partOfLayerInBounds
-                        )
-                        {
-                            WarningIn("molConfig::createMolecules()")
-                                << "A whole layer of unit cells was placed "
-                                << "outside the bounds of the mesh, but no "
-                                << "molecules have been placed in zone '"
-                                << cellZoneI[cZ].name()
-                                << "'.  This is likely to be because the zone "
-                                << "has few cells ("
-                                << cellZoneI[cZ].size()
-                                << " in this case) and no lattice position "
-                                << "fell inside them.  "
-                                << "Aborting filling this zone."
-                                << endl;
-
-                            break;
-                        }
-
-                        totalZoneMols += molsPlacedThisIteration;
-
-                        n++;
-                    }
-
-                    label molN;
-
-                    for
-                    (
-                        molN = totalMols;
-                        molN < totalMols + totalZoneMols;
-                        molN++
-                    )
-                    {
-                        initialIds.append(idAssign);
-
-                        initialMasses.append(mass);
-
-                        initialAccelerations.append(vector::zero);
-
-                        if (tethered)
-                        {
-                            initialTethered.append(1);
-
-                            initialTetherPositions.append
-                            (
-                                initialPositions[molN]
-                            );
-                        }
-
-                        else
-                        {
-                            initialTethered.append(0);
-
-                            initialTetherPositions.append(vector::zero);
-                        }
-                    }
-
-#                   include "createVelocities.H"
-
-#                   include "correctVelocities.H"
-
-                }
-
-                totalMols += totalZoneMols;
-            }
-        }
-    }
-
-    idList_.shrink();
-
-    positions_ = initialPositions;
-
-    positions_.setSize(initialPositions.size());
-
-    id_ = initialIds;
-
-    id_.setSize(initialIds.size());
-
-    mass_ = initialMasses;
-
-    mass_.setSize(initialMasses.size());
-
-    cells_ = initialCelli;
-
-    cells_.setSize(initialCelli.size());
-
-    U_ = initialVelocities;
-
-    U_.setSize(initialVelocities.size());
-
-    A_ = initialAccelerations;
-
-    A_.setSize(initialAccelerations.size());
-
-    tethered_ = initialTethered;
-
-    tethered_.setSize(initialTethered.size());
-
-    tetherPositions_ = initialTetherPositions;
-
-    tetherPositions_.setSize(initialTetherPositions.size());
-
-    nMol_ = totalMols;
-}
-
-
-// ************************************************************************* //
diff --git a/applications/utilities/preProcessing/mdInitialise/molConfig_old/createPositions.H b/applications/utilities/preProcessing/mdInitialise/molConfig_old/createPositions.H
deleted file mode 100644
index b26486338c..0000000000
--- a/applications/utilities/preProcessing/mdInitialise/molConfig_old/createPositions.H
+++ /dev/null
@@ -1,26 +0,0 @@
-vector latticePosition;
-
-vector globalPosition;
-
-if (latticeStructure == "SC")
-{
-#   include "SC.H"
-}
-
-else if (latticeStructure == "FCC")
-{
-#   include "FCC.H"
-}
-
-else if (latticeStructure == "BCC")
-{
-#   include "BCC.H"
-}
-
-else
-{
-    FatalErrorIn("createPositions.H\n")
-        << "latticeStructure " << latticeStructure
-        << " not supported."
-        << abort(FatalError);
-}
diff --git a/applications/utilities/preProcessing/mdInitialise/molConfig_old/createVelocities.H b/applications/utilities/preProcessing/mdInitialise/molConfig_old/createVelocities.H
deleted file mode 100644
index d014ffd146..0000000000
--- a/applications/utilities/preProcessing/mdInitialise/molConfig_old/createVelocities.H
+++ /dev/null
@@ -1,13 +0,0 @@
-vector velocity;
-
-vector momentumSum = vector::zero;
-
-if (velocityDistribution == "uniform")
-{
-#    include "uniform.H"
-}
-
-if (velocityDistribution == "maxwellian")
-{
-#    include "maxwellian.H"
-}
diff --git a/applications/utilities/preProcessing/mdInitialise/molConfig_old/genMolConfig.C b/applications/utilities/preProcessing/mdInitialise/molConfig_old/genMolConfig.C
deleted file mode 100644
index 7df9ce5622..0000000000
--- a/applications/utilities/preProcessing/mdInitialise/molConfig_old/genMolConfig.C
+++ /dev/null
@@ -1,129 +0,0 @@
-/*---------------------------------------------------------------------------*\
- =========                   |
- \\      /   F ield          | OpenFOAM: The Open Source CFD Toolbox
-  \\    /    O peration      |
-   \\  /     A nd            | Copyright (C) 1991-2009 OpenCFD Ltd.
-    \\/      M anipulation   |
--------------------------------------------------------------------------------
-License
-    This file is part of OpenFOAM.
-
-    OpenFOAM is free software; you can redistribute it and/or modify it
-    under the terms of the GNU General Public License as published by the
-    Free Software Foundation; either version 2 of the License, or (at your
-    option) any later version.
-
-    OpenFOAM is distributed in the hope that it will be useful, but WITHOUT
-    ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
-    FITNESS FOR A PARTICULAR PURPOSE.  See the GNU General Public License
-    for more details.
-
-    You should have received a copy of the GNU General Public License
-    along with OpenFOAM; if not, write to the Free Software Foundation,
-    Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
-
-\*---------------------------------------------------------------------------*/
-
-#include "molConfig.H"
-#include "fvCFD.H"
-
-using namespace Foam;
-
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-// Main program:
-
-int main(int argc, char *argv[])
-{
-#   include "setRootCase.H"
-#   include "createTime.H"
-#   include "createMesh.H"
-
-    Info<< nl << "Reading molecular configuration description dictionary"
-        << endl;
-
-    IOobject molConfigDescriptionIOobject
-    (
-        "molConfigDict",
-        runTime.system(),
-        runTime,
-        IOobject::MUST_READ,
-        IOobject::NO_WRITE,
-        false
-    );
-
-    if (!molConfigDescriptionIOobject.headerOk())
-    {
-        FatalErrorIn(args.executable())
-            << "Cannot find molConfig description file " << nl
-            << args.caseName()/runTime.system()/"molConfig"/"molConfigDict"
-            << nl << exit(FatalError);
-    }
-
-    IOdictionary molConfigDescription(molConfigDescriptionIOobject);
-
-
-    // Create molCloud, registering object with mesh
-
-    Info<< nl << "Creating molecular configuration" << endl;
-
-    molConfig molecules(molConfigDescription, mesh);
-
-    label totalMolecules = molecules.nMol();
-
-    if (Pstream::parRun())
-    {
-        reduce(totalMolecules, sumOp<label>());
-    }
-
-    Info<< nl << "Total number of molecules added: " << totalMolecules
-        << nl << endl;
-
-    moleculeCloud molCloud
-    (
-        mesh,
-        molecules.nMol(),
-        molecules.id(),
-        molecules.mass(),
-        molecules.positions(),
-        molecules.cells(),
-        molecules.U(),
-        molecules.A(),
-        molecules.tethered(),
-        molecules.tetherPositions()
-    );
-
-    IOdictionary idListDict
-    (
-        IOobject
-        (
-            "idList",
-            mesh.time().constant(),
-            mesh,
-            IOobject::NO_READ,
-            IOobject::AUTO_WRITE
-        )
-    );
-
-    idListDict.add("idList", molecules.molIdList());
-
-    IOstream::defaultPrecision(12);
-
-    Info << nl << "Writing molecular configuration" << endl;
-
-    if (!mesh.write())
-    {
-        FatalErrorIn(args.executable())
-            << "Failed writing moleculeCloud."
-            << nl << exit(FatalError);
-    }
-
-    Info<< nl << "ClockTime = " << runTime.elapsedClockTime() << " s"
-        << nl << endl;
-
-    Info << nl << "End\n" << endl;
-
-    return 0;
-}
-
-
-// ************************************************************************* //
diff --git a/applications/utilities/preProcessing/mdInitialise/molConfig_old/latticeStructures/BCC.H b/applications/utilities/preProcessing/mdInitialise/molConfig_old/latticeStructures/BCC.H
deleted file mode 100644
index cd3cbdf100..0000000000
--- a/applications/utilities/preProcessing/mdInitialise/molConfig_old/latticeStructures/BCC.H
+++ /dev/null
@@ -1,179 +0,0 @@
-labelVector iN(0,0,0);
-
-vector gap = (vector::one)*pow((numberDensity/2.0),-(1.0/3.0));
-
-#include "origin.H"
-
-// Info<< "gap = " << gap << endl;
-
-// Special treatment is required for the first position, i.e. iteration zero.
-
-if (n == 0)
-{
-    latticePosition.x() = (iN.x()*gap.x());
-
-    latticePosition.y() = (iN.y()*gap.y());
-
-    latticePosition.z() = (iN.z()*gap.z());
-
-    // Placing 2 molecules in each unit cell, using the algorithm from
-    // D. Rapaport, The Art of Molecular Dynamics Simulation, 2nd Ed, p68
-
-    for (label iU = 0; iU < 2; iU++)
-    {
-        vector unitCellLatticePosition = latticePosition;
-
-        if (iU == 1)
-        {
-            unitCellLatticePosition += 0.5 * gap;
-        }
-
-        if (originSpecifies == "corner")
-        {
-            unitCellLatticePosition -= 0.25*gap;
-        }
-
-//         Info << nl << n << ", " << unitCellLatticePosition;
-
-        globalPosition =
-            origin + transform(latticeToGlobal,unitCellLatticePosition);
-
-        partOfLayerInBounds = mesh_.bounds().contains(globalPosition);
-
-        if
-        (
-             findIndex(mesh_.cellZones()[cZ], mesh_.findCell(globalPosition))
-           != -1
-        )
-        {
-            molsPlacedThisIteration++;
-
-            initialPositions.append(globalPosition);
-
-            initialCelli.append(mesh_.findCell(globalPosition));
-        }
-    }
-}
-else
-{
-    // Place top and bottom caps.
-
-    for (iN.z() = -n; iN.z() <= n; iN.z() += 2*n)
-    {
-        for (iN.y() = -n; iN.y() <= n; iN.y()++)
-        {
-            for (iN.x() = -n; iN.x() <= n; iN.x()++)
-            {
-                latticePosition.x() = (iN.x() * gap.x());
-
-                latticePosition.y() = (iN.y() * gap.y());
-
-                latticePosition.z() = (iN.z() * gap.z());
-
-                for (label iU = 0; iU < 2; iU++)
-                {
-                    vector unitCellLatticePosition = latticePosition;
-
-                    if (iU == 1)
-                    {
-                        unitCellLatticePosition += 0.5*gap;
-                    }
-
-                    if(originSpecifies == "corner")
-                    {
-                        unitCellLatticePosition -= 0.25*gap;
-                    }
-
-//                     Info << nl << iN << ", " << unitCellLatticePosition;
-
-                    globalPosition =
-                        origin
-                      + transform(latticeToGlobal,unitCellLatticePosition);
-
-                    partOfLayerInBounds =
-                        mesh_.bounds().contains(globalPosition);
-
-                    if
-                    (
-                        findIndex
-                        (
-                             mesh_.cellZones()[cZ],
-                             mesh_.findCell(globalPosition)
-                        )
-                     != -1)
-                    {
-                        molsPlacedThisIteration++;
-
-                        initialPositions.append(globalPosition);
-
-                        initialCelli.append(mesh_.findCell(globalPosition));
-                    }
-                }
-            }
-        }
-    }
-
-//     Placing sides
-
-    for (iN.z() = -(n-1); iN.z() <= (n-1); iN.z()++)
-    {
-        for (label iR = 0; iR <= 2*n -1; iR++)
-        {
-            latticePosition.x() = (n*gap.x());
-
-            latticePosition.y() = ((-n + (iR + 1))*gap.y());
-
-            latticePosition.z() = (iN.z() * gap.z());
-
-            for (label iK = 0; iK < 4; iK++)
-            {
-                for (label iU = 0; iU < 2; iU++)
-                {
-                    vector unitCellLatticePosition = latticePosition;
-
-                    if (iU == 1)
-                    {
-                        unitCellLatticePosition += 0.5 * gap;
-                    }
-
-                    if (originSpecifies == "corner")
-                    {
-                        unitCellLatticePosition -= 0.25*gap;
-                    }
-
-                    globalPosition =
-                        origin
-                      + transform(latticeToGlobal,unitCellLatticePosition);
-
-                    partOfLayerInBounds =
-                        mesh_.bounds().contains(globalPosition);
-
-                    if
-                    (
-                        findIndex
-                         (
-                             mesh_.cellZones()[cZ],
-                             mesh_.findCell(globalPosition)
-                         )
-                      != -1
-                    )
-                    {
-                        molsPlacedThisIteration++;
-
-                        initialPositions.append(globalPosition);
-
-                        initialCelli.append(mesh_.findCell(globalPosition));
-                    }
-                }
-
-                latticePosition =
-                    vector
-                    (
-                      - latticePosition.y(),
-                        latticePosition.x(),
-                        latticePosition.z()
-                    );
-            }
-        }
-    }
-}
diff --git a/applications/utilities/preProcessing/mdInitialise/molConfig_old/latticeStructures/FCC.H b/applications/utilities/preProcessing/mdInitialise/molConfig_old/latticeStructures/FCC.H
deleted file mode 100644
index 313ebf96cb..0000000000
--- a/applications/utilities/preProcessing/mdInitialise/molConfig_old/latticeStructures/FCC.H
+++ /dev/null
@@ -1,217 +0,0 @@
-labelVector iN(0,0,0);
-
-vector gap = (vector::one)*pow((numberDensity/4.0),-(1.0/3.0));
-
-#include "origin.H"
-
-// Info<< "gap = " << gap << endl;
-
-// Special treatment is required for the first position, i.e. iteration zero.
-
-if (n == 0)
-{
-    latticePosition.x() = (iN.x() * gap.x());
-
-    latticePosition.y() = (iN.y() * gap.y());
-
-    latticePosition.z() = (iN.z() * gap.z());
-
-    // Placing 4 molecules in each unit cell, using the algorithm from
-    // D. Rapaport, The Art of Molecular Dynamics Simulation, 2nd Ed, p68
-
-    for (label iU = 0; iU < 4; iU++)
-    {
-        vector unitCellLatticePosition = latticePosition;
-
-        if (iU != 3)
-        {
-            if (iU != 0)
-            {
-                unitCellLatticePosition.x() += 0.5 * gap.x();
-            }
-
-            if (iU != 1)
-            {
-                unitCellLatticePosition.y() += 0.5 * gap.y();
-            }
-
-            if (iU != 2)
-            {
-                unitCellLatticePosition.z() += 0.5 * gap.z();
-            }
-        }
-
-        if (originSpecifies == "corner")
-        {
-            unitCellLatticePosition -= 0.25*gap;
-        }
-
-//         Info << nl << n << ", " << unitCellLatticePosition;
-
-        globalPosition =
-            origin + transform(latticeToGlobal,unitCellLatticePosition);
-
-        partOfLayerInBounds = mesh_.bounds().contains(globalPosition);
-
-        if
-        (
-            findIndex(mesh_.cellZones()[cZ], mesh_.findCell(globalPosition))
-          != -1
-        )
-        {
-            molsPlacedThisIteration++;
-
-            initialPositions.append(globalPosition);
-
-            initialCelli.append(mesh_.findCell(globalPosition));
-        }
-    }
-}
-else
-{
-    // Place top and bottom caps.
-
-    for (iN.z() = -n; iN.z() <= n; iN.z() += 2*n)
-    {
-        for (iN.y() = -n; iN.y() <= n; iN.y()++)
-        {
-            for (iN.x() = -n; iN.x() <= n; iN.x()++)
-            {
-                latticePosition.x() = (iN.x() * gap.x());
-
-                latticePosition.y() = (iN.y() * gap.y());
-
-                latticePosition.z() = (iN.z() * gap.z());
-
-                for (label iU = 0; iU < 4; iU++)
-                {
-                    vector unitCellLatticePosition = latticePosition;
-
-                    if (iU != 3)
-                    {
-                        if (iU != 0)
-                        {
-                            unitCellLatticePosition.x() += 0.5 * gap.x();
-                        }
-
-                        if (iU != 1)
-                        {
-                            unitCellLatticePosition.y() += 0.5 * gap.y();
-                        }
-
-                        if (iU != 2)
-                        {
-                            unitCellLatticePosition.z() += 0.5 * gap.z();
-                        }
-                    }
-
-                    if (originSpecifies == "corner")
-                    {
-                        unitCellLatticePosition -= 0.25*gap;
-                    }
-
-                    globalPosition =
-                        origin
-                      + transform(latticeToGlobal,unitCellLatticePosition);
-
-                    partOfLayerInBounds =
-                        mesh_.bounds().contains(globalPosition);
-
-                    if
-                    (
-                        findIndex
-                        (
-                            mesh_.cellZones()[cZ],
-                            mesh_.findCell(globalPosition)
-                        )
-                     != -1
-                    )
-                    {
-                        molsPlacedThisIteration++;
-
-                        initialPositions.append(globalPosition);
-
-                        initialCelli.append(mesh_.findCell(globalPosition));
-                    }
-                }
-            }
-        }
-    }
-
-//     Placing sides
-
-    for (iN.z() = -(n-1); iN.z() <= (n-1); iN.z()++)
-    {
-        for (label iR = 0; iR <= 2*n -1; iR++)
-        {
-            latticePosition.x() = (n * gap.x());
-
-            latticePosition.y() = ((-n + (iR + 1)) * gap.y());
-
-            latticePosition.z() = (iN.z() * gap.z());
-
-            for (label iK = 0; iK < 4; iK++)
-            {
-                for (label iU = 0; iU < 4; iU++)
-                {
-                    vector unitCellLatticePosition = latticePosition;
-
-                    if (iU != 3)
-                    {
-                        if (iU != 0)
-                        {
-                            unitCellLatticePosition.x() += 0.5 * gap.x();
-                        }
-
-                        if (iU != 1)
-                        {
-                            unitCellLatticePosition.y() += 0.5 * gap.y();
-                        }
-
-                        if (iU != 2)
-                        {
-                            unitCellLatticePosition.z() += 0.5 * gap.z();
-                        }
-                    }
-
-                    if (originSpecifies == "corner")
-                    {
-                        unitCellLatticePosition -= 0.25*gap;
-                    }
-
-                    globalPosition =
-                        origin
-                      + transform(latticeToGlobal,unitCellLatticePosition);
-
-                    partOfLayerInBounds =
-                        mesh_.bounds().contains(globalPosition);
-
-                    if
-                    (
-                        findIndex
-                        (
-                            mesh_.cellZones()[cZ],
-                            mesh_.findCell(globalPosition)
-                        )
-                     != -1
-                    )
-                    {
-                        molsPlacedThisIteration++;
-
-                        initialPositions.append(globalPosition);
-
-                        initialCelli.append(mesh_.findCell(globalPosition));
-                    }
-                }
-
-                latticePosition =
-                    vector
-                    (
-                      - latticePosition.y(),
-                        latticePosition.x(),
-                        latticePosition.z()
-                    );
-            }
-        }
-    }
-}
diff --git a/applications/utilities/preProcessing/mdInitialise/molConfig_old/latticeStructures/SC.H b/applications/utilities/preProcessing/mdInitialise/molConfig_old/latticeStructures/SC.H
deleted file mode 100644
index dd0ff7c00f..0000000000
--- a/applications/utilities/preProcessing/mdInitialise/molConfig_old/latticeStructures/SC.H
+++ /dev/null
@@ -1,127 +0,0 @@
-labelVector iN(0,0,0);
-
-vector gap = (vector::one)*pow(numberDensity, -(1.0/3.0));
-
-#include "origin.H"
-
-// Info<< "gap = " << gap << endl;
-
-// Special treatment is required for the first position, i.e. iteration zero.
-
-if (n == 0)
-{
-    latticePosition = vector::zero;
-
-    if (originSpecifies == "corner")
-    {
-        latticePosition += 0.5*gap;
-    }
-
-    globalPosition = origin + transform(latticeToGlobal,latticePosition);
-
-    partOfLayerInBounds = mesh_.bounds().contains(globalPosition);
-
-    if (findIndex(mesh_.cellZones()[cZ], mesh_.findCell(globalPosition)) != -1)
-    {
-        molsPlacedThisIteration++;
-
-        initialPositions.append(globalPosition);
-
-        initialCelli.append(mesh_.findCell(globalPosition));
-    }
-}
-else
-{
-    for (iN.z() = -n; iN.z() <= n; iN.z() += 2*n)
-    {
-        for (iN.y() = -n; iN.y() <= n; iN.y()++)
-        {
-            for (iN.x() = -n; iN.x() <= n; iN.x()++)
-            {
-                latticePosition.x() = (iN.x() * gap.x());
-
-                latticePosition.y() = (iN.y() * gap.y());
-
-                latticePosition.z() = (iN.z() * gap.z());
-
-                if (originSpecifies == "corner")
-                {
-                    latticePosition += 0.5*gap;
-                }
-
-                globalPosition =
-                    origin + transform(latticeToGlobal,latticePosition);
-
-                partOfLayerInBounds = mesh_.bounds().contains(globalPosition);
-
-                if
-                (
-                    findIndex
-                    (
-                        mesh_.cellZones()[cZ],
-                        mesh_.findCell(globalPosition)
-                    )
-                 != -1
-                )
-                {
-                    molsPlacedThisIteration++;
-
-                    initialPositions.append(globalPosition);
-
-                    initialCelli.append(mesh_.findCell(globalPosition));
-                }
-            }
-        }
-    }
-
-    tensor quarterRotate(EulerCoordinateRotation(-90, 0, 0, true).R());
-
-    iN.x() = n;
-    for (iN.z() = -(n-1); iN.z() <= (n-1); iN.z()++)
-    {
-        for (iN.y() = -(n-1); iN.y() <= n; iN.y()++)
-        {
-            latticePosition.x() = (iN.x()*gap.x());
-
-            latticePosition.y() = (iN.y()*gap.y());
-
-            latticePosition.z() = (iN.z()*gap.z());
-
-            for (label iR = 0; iR < 4; iR++)
-            {
-                vector offsetCorrectedLatticePosition = latticePosition;
-
-                if (originSpecifies == "corner")
-                {
-                    offsetCorrectedLatticePosition += 0.5*gap;
-                }
-
-                globalPosition =
-                    origin
-                  + transform(latticeToGlobal,offsetCorrectedLatticePosition);
-
-                partOfLayerInBounds = mesh_.bounds().contains(globalPosition);
-
-                if
-                (
-                    findIndex
-                    (
-                        mesh_.cellZones()[cZ],
-                        mesh_.findCell(globalPosition)
-                    )
-                 != -1
-                )
-                {
-                    molsPlacedThisIteration++;
-
-                    initialPositions.append(globalPosition);
-
-                    initialCelli.append(mesh_.findCell(globalPosition));
-                }
-
-                latticePosition = transform(quarterRotate,latticePosition);
-            }
-        }
-    }
-}
-
diff --git a/applications/utilities/preProcessing/mdInitialise/molConfig_old/molConfig.C b/applications/utilities/preProcessing/mdInitialise/molConfig_old/molConfig.C
deleted file mode 100644
index e81c24ca6a..0000000000
--- a/applications/utilities/preProcessing/mdInitialise/molConfig_old/molConfig.C
+++ /dev/null
@@ -1,50 +0,0 @@
-/*---------------------------------------------------------------------------*\
-  =========                 |
-  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
-   \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 1991-2009 OpenCFD Ltd.
-     \\/     M anipulation  |
--------------------------------------------------------------------------------
-License
-    This file is part of OpenFOAM.
-
-    OpenFOAM is free software; you can redistribute it and/or modify it
-    under the terms of the GNU General Public License as published by the
-    Free Software Foundation; either version 2 of the License, or (at your
-    option) any later version.
-
-    OpenFOAM is distributed in the hope that it will be useful, but WITHOUT
-    ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
-    FITNESS FOR A PARTICULAR PURPOSE.  See the GNU General Public License
-    for more details.
-
-    You should have received a copy of the GNU General Public License
-    along with OpenFOAM; if not, write to the Free Software Foundation,
-    Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
-
-\*---------------------------------------------------------------------------*/
-
-#include "molConfig.H"
-
-// * * * * * * * * * * * * * * * * Constructor * * * * * * * * * * * * * * * //
-
-Foam::molConfig::molConfig
-(
-    IOdictionary& molConfigDescription,
-    const polyMesh& mesh
-)
-:
-    molConfigDescription_(molConfigDescription),
-    mesh_(mesh)
-{
-    createMolecules();
-}
-
-
-// * * * * * * * * * * * * * * * * Destructor  * * * * * * * * * * * * * * * //
-
-Foam::molConfig::~molConfig()
-{}
-
-
-// ************************************************************************* //
diff --git a/applications/utilities/preProcessing/mdInitialise/molConfig_old/molConfig.H b/applications/utilities/preProcessing/mdInitialise/molConfig_old/molConfig.H
deleted file mode 100644
index 3b0ba8fd50..0000000000
--- a/applications/utilities/preProcessing/mdInitialise/molConfig_old/molConfig.H
+++ /dev/null
@@ -1,147 +0,0 @@
-/*---------------------------------------------------------------------------*\
-  =========                 |
-  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
-   \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 1991-2009 OpenCFD Ltd.
-     \\/     M anipulation  |
--------------------------------------------------------------------------------
-License
-    This file is part of OpenFOAM.
-
-    OpenFOAM is free software; you can redistribute it and/or modify it
-    under the terms of the GNU General Public License as published by the
-    Free Software Foundation; either version 2 of the License, or (at your
-    option) any later version.
-
-    OpenFOAM is distributed in the hope that it will be useful, but WITHOUT
-    ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
-    FITNESS FOR A PARTICULAR PURPOSE.  See the GNU General Public License
-    for more details.
-
-    You should have received a copy of the GNU General Public License
-    along with OpenFOAM; if not, write to the Free Software Foundation,
-    Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
-
-Class
-    Foam::molConfig
-
-Description
-
-SourceFiles
-    molConfigI.H
-    molConfig.C
-    molConfigIO.C
-
-\*---------------------------------------------------------------------------*/
-
-#ifndef molConfig_H
-#define molConfig_H
-
-#include "labelVector.H"
-#include "scalar.H"
-#include "vector.H"
-#include "labelField.H"
-#include "scalarField.H"
-#include "vectorField.H"
-#include "IOField.H"
-#include "EulerCoordinateRotation.H"
-#include "Random.H"
-
-#include "Time.H"
-#include "IOdictionary.H"
-#include "IOstreams.H"
-#include "moleculeCloud.H"
-
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-
-namespace Foam
-{
-
-/*---------------------------------------------------------------------------*\
-                           Class molConfig Declaration
-\*---------------------------------------------------------------------------*/
-
-class molConfig
-{
-    // Private data
-
-        const IOdictionary& molConfigDescription_;
-
-        const polyMesh& mesh_;
-
-        DynamicList<word> idList_;
-
-        labelField id_;
-
-        scalarField mass_;
-
-        vectorField positions_;
-
-        labelField cells_;
-
-        vectorField U_;
-
-        vectorField A_;
-
-        labelField tethered_;
-
-        vectorField tetherPositions_;
-
-        label nMol_;
-
-
-public:
-
-    // Constructors
-
-        //- Construct from IOdictionary and mesh
-        molConfig(IOdictionary&, const polyMesh&);
-
-
-    // Destructor
-
-        ~molConfig();
-
-
-    // Member Functions
-
-        void createMolecules();
-
-
-        // Access
-
-            inline const List<word>& molIdList() const;
-
-            inline const labelField& id() const;
-
-            inline const scalarField& mass() const;
-
-            inline const vectorField& positions() const;
-
-            inline const labelField& cells() const;
-
-            inline const vectorField& U() const;
-
-            inline const vectorField& A() const;
-
-            inline const labelField& tethered() const;
-
-            inline const vectorField& tetherPositions() const;
-
-            inline label nMol() const;
-};
-
-
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-
-} // End namespace Foam
-
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-
-#include "molConfigI.H"
-
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-
-#endif
-
-// ************************************************************************* //
diff --git a/applications/utilities/preProcessing/mdInitialise/molConfig_old/molConfigI.H b/applications/utilities/preProcessing/mdInitialise/molConfig_old/molConfigI.H
deleted file mode 100644
index 2cfd5bf57b..0000000000
--- a/applications/utilities/preProcessing/mdInitialise/molConfig_old/molConfigI.H
+++ /dev/null
@@ -1,98 +0,0 @@
-/*---------------------------------------------------------------------------*\
-  =========                 |
-  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
-   \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 1991-2009 OpenCFD Ltd.
-     \\/     M anipulation  |
--------------------------------------------------------------------------------
-License
-    This file is part of OpenFOAM.
-
-    OpenFOAM is free software; you can redistribute it and/or modify it
-    under the terms of the GNU General Public License as published by the
-    Free Software Foundation; either version 2 of the License, or (at your
-    option) any later version.
-
-    OpenFOAM is distributed in the hope that it will be useful, but WITHOUT
-    ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
-    FITNESS FOR A PARTICULAR PURPOSE.  See the GNU General Public License
-    for more details.
-
-    You should have received a copy of the GNU General Public License
-    along with OpenFOAM; if not, write to the Free Software Foundation,
-    Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
-
-\*---------------------------------------------------------------------------*/
-
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-
-namespace Foam
-{
-
-// * * * * * * * * * * * * * * * Member Functions  * * * * * * * * * * * * * //
-
-inline const List<word>& molConfig::molIdList() const
-{
-    return idList_;
-}
-
-
-inline const labelField& molConfig::id() const
-{
-    return id_;
-}
-
-
-inline const scalarField& molConfig::mass() const
-{
-    return mass_;
-}
-
-
-inline const vectorField& molConfig::positions() const
-{
-    return positions_;
-}
-
-
-inline const labelField& molConfig::cells() const
-{
-    return cells_;
-}
-
-
-inline const vectorField& molConfig::U() const
-{
-    return U_;
-}
-
-
-inline const vectorField& molConfig::A() const
-{
-    return A_;
-}
-
-
-inline const labelField& molConfig::tethered() const
-{
-    return tethered_;
-}
-
-
-inline const vectorField& molConfig::tetherPositions() const
-{
-    return tetherPositions_;
-}
-
-
-inline label molConfig::nMol() const
-{
-    return nMol_;
-}
-
-
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-
-} // End namespace Foam
-
-// ************************************************************************* //
diff --git a/applications/utilities/preProcessing/mdInitialise/molConfig_old/origin.H b/applications/utilities/preProcessing/mdInitialise/molConfig_old/origin.H
deleted file mode 100644
index 24bc994d34..0000000000
--- a/applications/utilities/preProcessing/mdInitialise/molConfig_old/origin.H
+++ /dev/null
@@ -1,49 +0,0 @@
-// Please refer to notes
-
-// 1. Determine the unit cell dimensions: xU, yU and zU
-
-const scalar xU = gap.x();
-const scalar yU = gap.y();
-const scalar zU = gap.z();
-
-// 2. Determine the anchorPoint co-ordinates: xA, yA  and zA
-
-const scalar xA = anchorPoint.x();
-const scalar yA = anchorPoint.y();
-const scalar zA = anchorPoint.z();
-
-// 3. Determine the vector rAB from global co-ordinate system:
-
-const vector rAB((xMid - xA), (yMid - yA), (zMid - zA));
-
-// 4. Transform vector rAS into lattice co-ordinate system:
-
-const vector rASTransf = transform(latticeToGlobal.T(), rAB);
-
-// Info << "The vector rAS = " << rAS << endl;
-// Info << "The vector rAStransf = " << rAStransf << endl;
-
-// 5. Calculate the integer values: ni, nj and nk
-scalar nIscalar = rASTransf.x()/xU;
-scalar nJscalar = rASTransf.y()/yU;
-scalar nKscalar = rASTransf.z()/zU;
-
-// Info << "The nI, nJ, nK values before are: " << nIscalar <<" "<< nJscalar <<" "<< nKscalar << endl;
-
-label nI = label(nIscalar + 0.5*sign(nIscalar));
-label nJ = label(nJscalar + 0.5*sign(nJscalar));
-label nK = label(nKscalar + 0.5*sign(nKscalar));
-
-// Info << "The nI, nJ, nK values after are: " << nI <<" "<< nJ <<" "<< nK << endl;
-
-// 6. Calculate the corrected starting point, rAC (in the lattice co-ordinate system):
-const vector rAC((nI*xU), (nJ*yU), (nK*zU));
-
-// 7. Transform the corrected starting point in the global co-ordinate system, rC:
-const vector rC = anchorPoint + transform(latticeToGlobal, rAC);
-
-
-const vector& origin = rC;
-
-// Pout << "The Corrected Starting Point: " << origin << endl;
-
diff --git a/applications/utilities/preProcessing/mdInitialise/molConfig_old/readZoneSubDict.H b/applications/utilities/preProcessing/mdInitialise/molConfig_old/readZoneSubDict.H
deleted file mode 100644
index 72705c761e..0000000000
--- a/applications/utilities/preProcessing/mdInitialise/molConfig_old/readZoneSubDict.H
+++ /dev/null
@@ -1,93 +0,0 @@
-
-// Info << "Zone description subDict " << cZ <<": "  << cellZoneI[cZ].name() << endl;
-
-const dictionary& subDictI =
-    molConfigDescription_.subDict(cellZoneI[cZ].name());
-
-const scalar temperature(readScalar(subDictI.lookup("temperature")));
-
-const word velocityDistribution(subDictI.lookup("velocityDistribution"));
-
-const vector bulkVelocity(subDictI.lookup("bulkVelocity"));
-
-const word id(subDictI.lookup("id"));
-
-const scalar mass(readScalar(subDictI.lookup("mass")));
-
-scalar numberDensity_read(0.0);
-
-if (subDictI.found("numberDensity"))
-{
-    numberDensity_read = readScalar(subDictI.lookup("numberDensity"));
-}
-else if (subDictI.found("massDensity"))
-{
-    numberDensity_read = readScalar(subDictI.lookup("massDensity"))/mass;
-}
-else
-{
-    FatalErrorIn("readZoneSubDict.H\n")
-        << "massDensity or numberDensity not specified " << nl
-        << abort(FatalError);
-}
-
-const scalar numberDensity(numberDensity_read);
-
-const word latticeStructure(subDictI.lookup("latticeStructure"));
-
-const vector anchorPoint(subDictI.lookup("anchor"));
-
-const word originSpecifies(subDictI.lookup("anchorSpecifies"));
-
-if
-(
-    originSpecifies != "corner"
- && originSpecifies != "molecule"
-)
-{
-    FatalErrorIn("readZoneSubDict.H\n")
-        << "anchorSpecifies must be either 'corner' or 'molecule', found "
-        << originSpecifies << nl
-        << abort(FatalError);
-}
-
-bool tethered = false;
-
-if (subDictI.found("tethered"))
-{
-    tethered = Switch(subDictI.lookup("tethered"));
-}
-
-const vector orientationAngles(subDictI.lookup("orientationAngles"));
-
-scalar phi(orientationAngles.x()*mathematicalConstant::pi/180.0);
-scalar theta(orientationAngles.y()*mathematicalConstant::pi/180.0);
-scalar psi(orientationAngles.z()*mathematicalConstant::pi/180.0);
-
-const tensor latticeToGlobal
-(
-    cos(psi)*cos(phi) - cos(theta)*sin(phi)*sin(psi),
-    cos(psi)*sin(phi) + cos(theta)*cos(phi)*sin(psi),
-    sin(psi)*sin(theta),
-  - sin(psi)*cos(phi) - cos(theta)*sin(phi)*cos(psi),
-  - sin(psi)*sin(phi) + cos(theta)*cos(phi)*cos(psi),
-    cos(psi)*sin(theta),
-    sin(theta)*sin(phi),
-  - sin(theta)*cos(phi),
-    cos(theta)
-);
-
-// Info << "\tcells: " << cellZoneI[cZ].size() << endl;
-// Info << "\tnumberDensity: " << numberDensity << endl;
-// Info << "\ttemperature: " << temperature << endl;
-// Info << "\tvelocityDistribution: " << velocityDistribution << endl;
-// Info << "\tbulkVelocity: " << bulkVelocity << endl;
-// Info << "\tid: " << id << endl;
-// Info << "\tmass: " << mass << endl;
-// Info << "\tlatticeStructure: " << latticeStructure << endl;
-// Info << "\tanchor: " << anchorPoint << endl;
-// Info << "\toriginSpecifies: " << originSpecifies << endl;
-// Info << "\ttethered: " << tethered << endl;
-// Info << "\torientationAngles: " << orientationAngles << endl;
-// Info << "\tlatticeToGlobal: " << latticeToGlobal << endl;
-
diff --git a/applications/utilities/preProcessing/mdInitialise/molConfig_old/startingPoint.H b/applications/utilities/preProcessing/mdInitialise/molConfig_old/startingPoint.H
deleted file mode 100644
index 6ae01c83f1..0000000000
--- a/applications/utilities/preProcessing/mdInitialise/molConfig_old/startingPoint.H
+++ /dev/null
@@ -1,97 +0,0 @@
-scalar xMax = 0;
-
-scalar yMax = 0;
-
-scalar zMax = 0;
-
-scalar xMin = 0;
-
-scalar yMin = 0;
-
-scalar zMin = 0;
-
-label xMaxPtLabel = 0;
-
-label yMaxPtLabel = 0;
-
-label zMaxPtLabel = 0;
-
-label xMinPtLabel = 0;
-
-label yMinPtLabel = 0;
-
-label zMinPtLabel = 0;
-
-forAll (cellZoneI[cZ], nC)
-{
-    const labelList& cellPointsJ = mesh_.cellPoints()[cellZoneI[cZ][nC]];
-
-    forAll(cellPointsJ, nP)
-    {
-        const point& ptI = mesh_.points()[cellPointsJ[nP]];
-
-        const label& ptILabel = cellPointsJ[nP];
-
-        if (ptI.x() > xMax || nC == 0)
-        {
-            xMax = ptI.x();
-            xMaxPtLabel = ptILabel;
-        }
-        if (ptI.y() > yMax || nC == 0)
-        {
-            yMax = ptI.y();
-            yMaxPtLabel = ptILabel;
-        }
-        if (ptI.z() > zMax || nC == 0)
-        {
-            zMax = ptI.z();
-            zMaxPtLabel = ptILabel;
-        }
-        if (ptI.x() < xMin || nC == 0)
-        {
-            xMin = ptI.x();
-            xMinPtLabel = ptILabel;
-        }
-        if (ptI.y() < yMin || nC == 0)
-        {
-            yMin = ptI.y();
-            yMinPtLabel = ptILabel;
-        }
-        if (ptI.z() < zMin || nC == 0)
-        {
-            zMin = ptI.z();
-            zMinPtLabel = ptILabel;
-        }
-    }
-}
-
-// Info << "Xmax: label = " << xMaxPtLabel2 << "; vector = " <<mesh_.points()[xMaxPtLabel2]
-//      <<"; x-component = " << mesh_.points()[xMaxPtLabel2].x() << endl;
-// Info << "Ymax: label = " << yMaxPtLabel2 << "; vector = " <<mesh_.points()[yMaxPtLabel2]
-//      <<"; y-component = " << mesh_.points()[yMaxPtLabel2].y() << endl;
-// Info << "Zmax: label = " << zMaxPtLabel2 << "; vector = " <<mesh_.points()[zMaxPtLabel2]
-//      <<"; z-component = " << mesh_.points()[zMaxPtLabel2].z() << endl;
-//
-// Info << "Xmin: label = " << xMinPtLabel << "; vector = " <<mesh_.points()[xMinPtLabel]
-//      <<"; x-component = " << mesh_.points()[xMinPtLabel].x() << endl;
-// Info << "Ymin: label = " << yMinPtLabel << "; vector = " <<mesh_.points()[yMinPtLabel]
-//      <<"; y-component = " << mesh_.points()[yMinPtLabel].y() << endl;
-// Info << "Zmin: label = " << zMinPtLabel << "; vector = " <<mesh_.points()[zMinPtLabel]
-//      <<"; z-component = " << mesh_.points()[zMinPtLabel].z() << endl;
-
-scalar xMid =
-    (mesh_.points()[xMaxPtLabel].x()
-  + mesh_.points()[xMinPtLabel].x()) / 2;
-
-scalar yMid =
-    (mesh_.points()[yMaxPtLabel].y()
-  + mesh_.points()[yMinPtLabel].y()) / 2;
-
-scalar zMid =
-    (mesh_.points()[zMaxPtLabel].z()
-  + mesh_.points()[zMinPtLabel].z()) / 2;
-
-vector rS(xMid, yMid, zMid);
-
-// Info << "\t The Estimated Starting Point: " << rS << endl;
-
diff --git a/applications/utilities/preProcessing/mdInitialise/molConfig_old/velocityDistributions/maxwellian.H b/applications/utilities/preProcessing/mdInitialise/molConfig_old/velocityDistributions/maxwellian.H
deleted file mode 100644
index 01c3ff8716..0000000000
--- a/applications/utilities/preProcessing/mdInitialise/molConfig_old/velocityDistributions/maxwellian.H
+++ /dev/null
@@ -1,26 +0,0 @@
-scalar velCmptMag = sqrt(moleculeCloud::kb*temperature/mass);
-
-for (molN = totalMols; molN < totalMols + totalZoneMols; molN++)
-{
-    // Assign velocity: random direction, magnitude determined by desired
-    // maxwellian distribution at temperature
-
-    // Temperature gradients could be created by specifying a gradient in the
-    // zone subDict, or by reading a field from a mesh.
-
-    // The velocities are treated on a zone-by-zone basis for the purposes of
-    // removal of bulk momentum - hence nMols becomes totalZoneMols
-
-    velocity = vector
-    (
-        velCmptMag*rand.GaussNormal(),
-        velCmptMag*rand.GaussNormal(),
-        velCmptMag*rand.GaussNormal()
-    );
-
-    momentumSum += mass*velocity;
-
-    initialVelocities.append(velocity);
-}
-
-
diff --git a/applications/utilities/preProcessing/mdInitialise/molConfig_old/velocityDistributions/uniform.H b/applications/utilities/preProcessing/mdInitialise/molConfig_old/velocityDistributions/uniform.H
deleted file mode 100644
index 9c178af262..0000000000
--- a/applications/utilities/preProcessing/mdInitialise/molConfig_old/velocityDistributions/uniform.H
+++ /dev/null
@@ -1,27 +0,0 @@
-scalar initVelMag =
-    sqrt
-    (
-        3.0*(1.0 - 1.0 / totalZoneMols)
-       *moleculeCloud::kb*temperature
-       /mass
-    );
-
-for (molN = totalMols; molN < totalMols + totalZoneMols; molN++)
-{
-    // Assign velocity: random direction, magnitude determined by desired
-    // temperature
-
-    // Temperature gradients could be created by specifying a gradient in the
-    // zone subDict, or by reading a field from a mesh.
-
-    // The velocities are treated on a zone-by-zone basis for the purposes of
-    // removal of bulk momentum - hence nMols becomes totalZoneMols
-
-    velocity = (2.0*rand.vector01() - vector::one);
-
-    velocity *= initVelMag/mag(velocity);
-
-    momentumSum += mass*velocity;
-
-    initialVelocities.append(velocity);
-}
diff --git a/src/lagrangian/molecularDynamics/molecularMeasurements/bufferedAccumulator/bufferedAccumulator.C b/src/lagrangian/molecularDynamics/molecularMeasurements/bufferedAccumulator/bufferedAccumulator.C
index 18d46cb90a..80c930bb02 100644
--- a/src/lagrangian/molecularDynamics/molecularMeasurements/bufferedAccumulator/bufferedAccumulator.C
+++ b/src/lagrangian/molecularDynamics/molecularMeasurements/bufferedAccumulator/bufferedAccumulator.C
@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 1991-2009 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 2008-2009 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
diff --git a/src/lagrangian/molecularDynamics/molecularMeasurements/bufferedAccumulator/bufferedAccumulator.H b/src/lagrangian/molecularDynamics/molecularMeasurements/bufferedAccumulator/bufferedAccumulator.H
index 53b8f9371d..ed8afa2115 100644
--- a/src/lagrangian/molecularDynamics/molecularMeasurements/bufferedAccumulator/bufferedAccumulator.H
+++ b/src/lagrangian/molecularDynamics/molecularMeasurements/bufferedAccumulator/bufferedAccumulator.H
@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 1991-2009 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 2008-2009 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
diff --git a/src/lagrangian/molecularDynamics/molecularMeasurements/bufferedAccumulator/bufferedAccumulatorI.H b/src/lagrangian/molecularDynamics/molecularMeasurements/bufferedAccumulator/bufferedAccumulatorI.H
index 96531509c8..28bcde97a9 100644
--- a/src/lagrangian/molecularDynamics/molecularMeasurements/bufferedAccumulator/bufferedAccumulatorI.H
+++ b/src/lagrangian/molecularDynamics/molecularMeasurements/bufferedAccumulator/bufferedAccumulatorI.H
@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 1991-2009 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 2008-2009 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
diff --git a/src/lagrangian/molecularDynamics/molecularMeasurements/bufferedAccumulator/bufferedAccumulatorIO.C b/src/lagrangian/molecularDynamics/molecularMeasurements/bufferedAccumulator/bufferedAccumulatorIO.C
index 8e5d7c9d72..2de8ccfb11 100644
--- a/src/lagrangian/molecularDynamics/molecularMeasurements/bufferedAccumulator/bufferedAccumulatorIO.C
+++ b/src/lagrangian/molecularDynamics/molecularMeasurements/bufferedAccumulator/bufferedAccumulatorIO.C
@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 1991-2009 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 2008-2009 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
diff --git a/src/lagrangian/molecularDynamics/molecularMeasurements/correlationFunction/correlationFunction.C b/src/lagrangian/molecularDynamics/molecularMeasurements/correlationFunction/correlationFunction.C
index eca654aa2d..adad29b3f1 100644
--- a/src/lagrangian/molecularDynamics/molecularMeasurements/correlationFunction/correlationFunction.C
+++ b/src/lagrangian/molecularDynamics/molecularMeasurements/correlationFunction/correlationFunction.C
@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 1991-2009 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 2008-2009 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
diff --git a/src/lagrangian/molecularDynamics/molecularMeasurements/correlationFunction/correlationFunction.H b/src/lagrangian/molecularDynamics/molecularMeasurements/correlationFunction/correlationFunction.H
index 2b8753676c..b751d044f7 100644
--- a/src/lagrangian/molecularDynamics/molecularMeasurements/correlationFunction/correlationFunction.H
+++ b/src/lagrangian/molecularDynamics/molecularMeasurements/correlationFunction/correlationFunction.H
@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 1991-2009 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 2008-2009 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
diff --git a/src/lagrangian/molecularDynamics/molecularMeasurements/correlationFunction/correlationFunctionI.H b/src/lagrangian/molecularDynamics/molecularMeasurements/correlationFunction/correlationFunctionI.H
index d07d54eca0..adbf705059 100644
--- a/src/lagrangian/molecularDynamics/molecularMeasurements/correlationFunction/correlationFunctionI.H
+++ b/src/lagrangian/molecularDynamics/molecularMeasurements/correlationFunction/correlationFunctionI.H
@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 1991-2009 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 2008-2009 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
diff --git a/src/lagrangian/molecularDynamics/molecularMeasurements/correlationFunction/correlationFunctionIO.C b/src/lagrangian/molecularDynamics/molecularMeasurements/correlationFunction/correlationFunctionIO.C
index 7dcbcc1eda..b153227188 100644
--- a/src/lagrangian/molecularDynamics/molecularMeasurements/correlationFunction/correlationFunctionIO.C
+++ b/src/lagrangian/molecularDynamics/molecularMeasurements/correlationFunction/correlationFunctionIO.C
@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 1991-2009 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 2008-2009 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
diff --git a/src/lagrangian/molecularDynamics/molecularMeasurements/distribution/distribution.C b/src/lagrangian/molecularDynamics/molecularMeasurements/distribution/distribution.C
index a4a08b08fa..8c666939e8 100644
--- a/src/lagrangian/molecularDynamics/molecularMeasurements/distribution/distribution.C
+++ b/src/lagrangian/molecularDynamics/molecularMeasurements/distribution/distribution.C
@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 1991-2009 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 2008-2009 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
diff --git a/src/lagrangian/molecularDynamics/molecularMeasurements/distribution/distribution.H b/src/lagrangian/molecularDynamics/molecularMeasurements/distribution/distribution.H
index 597d2eedb0..363f68a6cf 100644
--- a/src/lagrangian/molecularDynamics/molecularMeasurements/distribution/distribution.H
+++ b/src/lagrangian/molecularDynamics/molecularMeasurements/distribution/distribution.H
@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 1991-2009 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 2008-2009 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
diff --git a/src/lagrangian/molecularDynamics/molecularMeasurements/distribution/distributionI.H b/src/lagrangian/molecularDynamics/molecularMeasurements/distribution/distributionI.H
index 988d76de31..4bc3596a50 100644
--- a/src/lagrangian/molecularDynamics/molecularMeasurements/distribution/distributionI.H
+++ b/src/lagrangian/molecularDynamics/molecularMeasurements/distribution/distributionI.H
@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 1991-2009 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 2008-2009 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
diff --git a/src/lagrangian/molecularDynamics/molecularMeasurements/distribution/distributionIO.C b/src/lagrangian/molecularDynamics/molecularMeasurements/distribution/distributionIO.C
index 65743800e8..7e5a0118f0 100644
--- a/src/lagrangian/molecularDynamics/molecularMeasurements/distribution/distributionIO.C
+++ b/src/lagrangian/molecularDynamics/molecularMeasurements/distribution/distributionIO.C
@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 1991-2009 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 2008-2009 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
diff --git a/src/lagrangian/molecularDynamics/molecule/interactionLists/directInteractionList/directInteractionList.C b/src/lagrangian/molecularDynamics/molecule/interactionLists/directInteractionList/directInteractionList.C
index a28d530015..6af4e7d5bf 100644
--- a/src/lagrangian/molecularDynamics/molecule/interactionLists/directInteractionList/directInteractionList.C
+++ b/src/lagrangian/molecularDynamics/molecule/interactionLists/directInteractionList/directInteractionList.C
@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 1991-2009 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 2008-2009 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
diff --git a/src/lagrangian/molecularDynamics/molecule/interactionLists/directInteractionList/directInteractionList.H b/src/lagrangian/molecularDynamics/molecule/interactionLists/directInteractionList/directInteractionList.H
index 3777b0b098..04a957170c 100644
--- a/src/lagrangian/molecularDynamics/molecule/interactionLists/directInteractionList/directInteractionList.H
+++ b/src/lagrangian/molecularDynamics/molecule/interactionLists/directInteractionList/directInteractionList.H
@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 1991-2009 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 2008-2009 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
diff --git a/src/lagrangian/molecularDynamics/molecule/interactionLists/directInteractionList/directInteractionListI.H b/src/lagrangian/molecularDynamics/molecule/interactionLists/directInteractionList/directInteractionListI.H
index 7c1ded995b..26529babb6 100644
--- a/src/lagrangian/molecularDynamics/molecule/interactionLists/directInteractionList/directInteractionListI.H
+++ b/src/lagrangian/molecularDynamics/molecule/interactionLists/directInteractionList/directInteractionListI.H
@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 1991-2009 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 2008-2009 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
diff --git a/src/lagrangian/molecularDynamics/molecule/interactionLists/interactionLists.C b/src/lagrangian/molecularDynamics/molecule/interactionLists/interactionLists.C
index 411d6dbfba..10985a4cc2 100644
--- a/src/lagrangian/molecularDynamics/molecule/interactionLists/interactionLists.C
+++ b/src/lagrangian/molecularDynamics/molecule/interactionLists/interactionLists.C
@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 1991-2009 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 2008-2009 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
diff --git a/src/lagrangian/molecularDynamics/molecule/interactionLists/interactionLists.H b/src/lagrangian/molecularDynamics/molecule/interactionLists/interactionLists.H
index a8d28133eb..a8eeb55ddf 100644
--- a/src/lagrangian/molecularDynamics/molecule/interactionLists/interactionLists.H
+++ b/src/lagrangian/molecularDynamics/molecule/interactionLists/interactionLists.H
@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 1991-2009 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 2008-2009 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
diff --git a/src/lagrangian/molecularDynamics/molecule/interactionLists/interactionListsI.H b/src/lagrangian/molecularDynamics/molecule/interactionLists/interactionListsI.H
index 6749e05be0..7c5c4ec122 100644
--- a/src/lagrangian/molecularDynamics/molecule/interactionLists/interactionListsI.H
+++ b/src/lagrangian/molecularDynamics/molecule/interactionLists/interactionListsI.H
@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 1991-2009 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 2008-2009 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
diff --git a/src/lagrangian/molecularDynamics/molecule/interactionLists/referralLists/receivingReferralList.C b/src/lagrangian/molecularDynamics/molecule/interactionLists/referralLists/receivingReferralList.C
index db0831eaee..e2db2ae6d7 100644
--- a/src/lagrangian/molecularDynamics/molecule/interactionLists/referralLists/receivingReferralList.C
+++ b/src/lagrangian/molecularDynamics/molecule/interactionLists/referralLists/receivingReferralList.C
@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 1991-2009 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 2008-2009 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
diff --git a/src/lagrangian/molecularDynamics/molecule/interactionLists/referralLists/receivingReferralList.H b/src/lagrangian/molecularDynamics/molecule/interactionLists/referralLists/receivingReferralList.H
index b7ec5a26fa..91ebe8eb32 100644
--- a/src/lagrangian/molecularDynamics/molecule/interactionLists/referralLists/receivingReferralList.H
+++ b/src/lagrangian/molecularDynamics/molecule/interactionLists/referralLists/receivingReferralList.H
@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 1991-2009 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 2008-2009 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
diff --git a/src/lagrangian/molecularDynamics/molecule/interactionLists/referralLists/receivingReferralListI.H b/src/lagrangian/molecularDynamics/molecule/interactionLists/referralLists/receivingReferralListI.H
index 48b11405b4..56134aca58 100644
--- a/src/lagrangian/molecularDynamics/molecule/interactionLists/referralLists/receivingReferralListI.H
+++ b/src/lagrangian/molecularDynamics/molecule/interactionLists/referralLists/receivingReferralListI.H
@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 1991-2009 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 2008-2009 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
diff --git a/src/lagrangian/molecularDynamics/molecule/interactionLists/referralLists/sendingReferralList.C b/src/lagrangian/molecularDynamics/molecule/interactionLists/referralLists/sendingReferralList.C
index bb0b3b1e52..e0a7737910 100644
--- a/src/lagrangian/molecularDynamics/molecule/interactionLists/referralLists/sendingReferralList.C
+++ b/src/lagrangian/molecularDynamics/molecule/interactionLists/referralLists/sendingReferralList.C
@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 1991-2009 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 2008-2009 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
diff --git a/src/lagrangian/molecularDynamics/molecule/interactionLists/referralLists/sendingReferralList.H b/src/lagrangian/molecularDynamics/molecule/interactionLists/referralLists/sendingReferralList.H
index 30afadebee..b7b9bf082c 100644
--- a/src/lagrangian/molecularDynamics/molecule/interactionLists/referralLists/sendingReferralList.H
+++ b/src/lagrangian/molecularDynamics/molecule/interactionLists/referralLists/sendingReferralList.H
@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 1991-2009 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 2008-2009 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
diff --git a/src/lagrangian/molecularDynamics/molecule/interactionLists/referralLists/sendingReferralListI.H b/src/lagrangian/molecularDynamics/molecule/interactionLists/referralLists/sendingReferralListI.H
index 51c569cfd2..c6479a14cf 100644
--- a/src/lagrangian/molecularDynamics/molecule/interactionLists/referralLists/sendingReferralListI.H
+++ b/src/lagrangian/molecularDynamics/molecule/interactionLists/referralLists/sendingReferralListI.H
@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 1991-2009 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 2008-2009 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
diff --git a/src/lagrangian/molecularDynamics/molecule/interactionLists/referredCell/referredCell.C b/src/lagrangian/molecularDynamics/molecule/interactionLists/referredCell/referredCell.C
index 194caa11e2..d2a0ecd475 100644
--- a/src/lagrangian/molecularDynamics/molecule/interactionLists/referredCell/referredCell.C
+++ b/src/lagrangian/molecularDynamics/molecule/interactionLists/referredCell/referredCell.C
@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 1991-2009 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 2008-2009 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
diff --git a/src/lagrangian/molecularDynamics/molecule/interactionLists/referredCell/referredCell.H b/src/lagrangian/molecularDynamics/molecule/interactionLists/referredCell/referredCell.H
index 789c9e4d41..7f2e5bdbe7 100644
--- a/src/lagrangian/molecularDynamics/molecule/interactionLists/referredCell/referredCell.H
+++ b/src/lagrangian/molecularDynamics/molecule/interactionLists/referredCell/referredCell.H
@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 1991-2009 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 2008-2009 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
diff --git a/src/lagrangian/molecularDynamics/molecule/interactionLists/referredCell/referredCellI.H b/src/lagrangian/molecularDynamics/molecule/interactionLists/referredCell/referredCellI.H
index a7427c141d..bd3954e83c 100644
--- a/src/lagrangian/molecularDynamics/molecule/interactionLists/referredCell/referredCellI.H
+++ b/src/lagrangian/molecularDynamics/molecule/interactionLists/referredCell/referredCellI.H
@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 1991-2009 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 2008-2009 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
diff --git a/src/lagrangian/molecularDynamics/molecule/interactionLists/referredCellList/referredCellList.C b/src/lagrangian/molecularDynamics/molecule/interactionLists/referredCellList/referredCellList.C
index fbc5c1740b..373385ae4d 100644
--- a/src/lagrangian/molecularDynamics/molecule/interactionLists/referredCellList/referredCellList.C
+++ b/src/lagrangian/molecularDynamics/molecule/interactionLists/referredCellList/referredCellList.C
@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 1991-2009 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 2008-2009 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
diff --git a/src/lagrangian/molecularDynamics/molecule/interactionLists/referredCellList/referredCellList.H b/src/lagrangian/molecularDynamics/molecule/interactionLists/referredCellList/referredCellList.H
index e323a9dcb6..54c137ed53 100644
--- a/src/lagrangian/molecularDynamics/molecule/interactionLists/referredCellList/referredCellList.H
+++ b/src/lagrangian/molecularDynamics/molecule/interactionLists/referredCellList/referredCellList.H
@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 1991-2009 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 2008-2009 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
diff --git a/src/lagrangian/molecularDynamics/molecule/interactionLists/referredCellList/referredCellListI.H b/src/lagrangian/molecularDynamics/molecule/interactionLists/referredCellList/referredCellListI.H
index a81d6cf8e8..588bf94eab 100644
--- a/src/lagrangian/molecularDynamics/molecule/interactionLists/referredCellList/referredCellListI.H
+++ b/src/lagrangian/molecularDynamics/molecule/interactionLists/referredCellList/referredCellListI.H
@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 1991-2009 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 2008-2009 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
diff --git a/src/lagrangian/molecularDynamics/molecule/interactionLists/referredMolecule/referredMolecule.C b/src/lagrangian/molecularDynamics/molecule/interactionLists/referredMolecule/referredMolecule.C
index 3db08989c3..1b19d21d7f 100644
--- a/src/lagrangian/molecularDynamics/molecule/interactionLists/referredMolecule/referredMolecule.C
+++ b/src/lagrangian/molecularDynamics/molecule/interactionLists/referredMolecule/referredMolecule.C
@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 1991-2009 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 2008-2009 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
diff --git a/src/lagrangian/molecularDynamics/molecule/interactionLists/referredMolecule/referredMolecule.H b/src/lagrangian/molecularDynamics/molecule/interactionLists/referredMolecule/referredMolecule.H
index 13fd0983d7..45d342d2ed 100644
--- a/src/lagrangian/molecularDynamics/molecule/interactionLists/referredMolecule/referredMolecule.H
+++ b/src/lagrangian/molecularDynamics/molecule/interactionLists/referredMolecule/referredMolecule.H
@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 1991-2009 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 2008-2009 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
diff --git a/src/lagrangian/molecularDynamics/molecule/interactionLists/referredMolecule/referredMoleculeI.H b/src/lagrangian/molecularDynamics/molecule/interactionLists/referredMolecule/referredMoleculeI.H
index 102bd5e30f..1b9666f20e 100644
--- a/src/lagrangian/molecularDynamics/molecule/interactionLists/referredMolecule/referredMoleculeI.H
+++ b/src/lagrangian/molecularDynamics/molecule/interactionLists/referredMolecule/referredMoleculeI.H
@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 1991-2009 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 2008-2009 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
diff --git a/src/lagrangian/molecularDynamics/molecule/mdTools/calculateAutoCorrelationFunctions.H b/src/lagrangian/molecularDynamics/molecule/mdTools/calculateAutoCorrelationFunctions.H
index ce0113352e..bc5848475d 100644
--- a/src/lagrangian/molecularDynamics/molecule/mdTools/calculateAutoCorrelationFunctions.H
+++ b/src/lagrangian/molecularDynamics/molecule/mdTools/calculateAutoCorrelationFunctions.H
@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 1991-2009 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 2008-2009 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
diff --git a/src/lagrangian/molecularDynamics/molecule/mdTools/calculateTransportProperties.H b/src/lagrangian/molecularDynamics/molecule/mdTools/calculateTransportProperties.H
index 1ffbcc15b7..74f1db9da7 100644
--- a/src/lagrangian/molecularDynamics/molecule/mdTools/calculateTransportProperties.H
+++ b/src/lagrangian/molecularDynamics/molecule/mdTools/calculateTransportProperties.H
@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 1991-2009 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 2008-2009 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
diff --git a/src/lagrangian/molecularDynamics/molecule/mdTools/createAutoCorrelationFunctions.H b/src/lagrangian/molecularDynamics/molecule/mdTools/createAutoCorrelationFunctions.H
index 6821055ae0..ab2d593cc6 100644
--- a/src/lagrangian/molecularDynamics/molecule/mdTools/createAutoCorrelationFunctions.H
+++ b/src/lagrangian/molecularDynamics/molecule/mdTools/createAutoCorrelationFunctions.H
@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 1991-2009 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 2008-2009 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
diff --git a/src/lagrangian/molecularDynamics/molecule/mdTools/meanMomentumEnergyAndNMols.H b/src/lagrangian/molecularDynamics/molecule/mdTools/meanMomentumEnergyAndNMols.H
index be97a829c1..827ff3ffc2 100644
--- a/src/lagrangian/molecularDynamics/molecule/mdTools/meanMomentumEnergyAndNMols.H
+++ b/src/lagrangian/molecularDynamics/molecule/mdTools/meanMomentumEnergyAndNMols.H
@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 1991-2009 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 2008-2009 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
diff --git a/src/lagrangian/molecularDynamics/molecule/mdTools/temperatureAndPressure.H b/src/lagrangian/molecularDynamics/molecule/mdTools/temperatureAndPressure.H
index 0718750e53..cd02fcce08 100644
--- a/src/lagrangian/molecularDynamics/molecule/mdTools/temperatureAndPressure.H
+++ b/src/lagrangian/molecularDynamics/molecule/mdTools/temperatureAndPressure.H
@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 1991-2009 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 2008-2009 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
diff --git a/src/lagrangian/molecularDynamics/molecule/mdTools/temperatureAndPressureVariables.H b/src/lagrangian/molecularDynamics/molecule/mdTools/temperatureAndPressureVariables.H
index 196299e793..9856c9d4da 100644
--- a/src/lagrangian/molecularDynamics/molecule/mdTools/temperatureAndPressureVariables.H
+++ b/src/lagrangian/molecularDynamics/molecule/mdTools/temperatureAndPressureVariables.H
@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 1991-2009 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 2008-2009 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
diff --git a/src/lagrangian/molecularDynamics/molecule/mdTools/temperatureEquilibration.H b/src/lagrangian/molecularDynamics/molecule/mdTools/temperatureEquilibration.H
index 1d924db4b4..b1ac5d4230 100644
--- a/src/lagrangian/molecularDynamics/molecule/mdTools/temperatureEquilibration.H
+++ b/src/lagrangian/molecularDynamics/molecule/mdTools/temperatureEquilibration.H
@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 1991-2009 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 2008-2009 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
diff --git a/src/lagrangian/molecularDynamics/molecule/molecule/molecule.C b/src/lagrangian/molecularDynamics/molecule/molecule/molecule.C
index ac45040c09..ef5e4b0250 100644
--- a/src/lagrangian/molecularDynamics/molecule/molecule/molecule.C
+++ b/src/lagrangian/molecularDynamics/molecule/molecule/molecule.C
@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 1991-2009 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 2008-2009 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
diff --git a/src/lagrangian/molecularDynamics/molecule/molecule/molecule.H b/src/lagrangian/molecularDynamics/molecule/molecule/molecule.H
index 6734671596..13111e5ac4 100644
--- a/src/lagrangian/molecularDynamics/molecule/molecule/molecule.H
+++ b/src/lagrangian/molecularDynamics/molecule/molecule/molecule.H
@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 1991-2009 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 2008-2009 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
diff --git a/src/lagrangian/molecularDynamics/molecule/molecule/moleculeI.H b/src/lagrangian/molecularDynamics/molecule/molecule/moleculeI.H
index 824a8acf80..743d45b7f9 100644
--- a/src/lagrangian/molecularDynamics/molecule/molecule/moleculeI.H
+++ b/src/lagrangian/molecularDynamics/molecule/molecule/moleculeI.H
@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 1991-2009 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 2008-2009 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
diff --git a/src/lagrangian/molecularDynamics/molecule/molecule/moleculeIO.C b/src/lagrangian/molecularDynamics/molecule/molecule/moleculeIO.C
index a01458e177..f43b4aac6e 100644
--- a/src/lagrangian/molecularDynamics/molecule/molecule/moleculeIO.C
+++ b/src/lagrangian/molecularDynamics/molecule/molecule/moleculeIO.C
@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 1991-2009 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 2008-2009 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
diff --git a/src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloud.C b/src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloud.C
index da2cb8c0f0..e69f1dfa5d 100644
--- a/src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloud.C
+++ b/src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloud.C
@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 1991-2009 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 2008-2009 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
diff --git a/src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloud.H b/src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloud.H
index 48eb999a68..719605a89c 100644
--- a/src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloud.H
+++ b/src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloud.H
@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 1991-2009 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 2008-2009 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
diff --git a/src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloudI.H b/src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloudI.H
index c4b8e5d89c..acc3348044 100644
--- a/src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloudI.H
+++ b/src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloudI.H
@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 1991-2009 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 2008-2009 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
diff --git a/src/lagrangian/molecularDynamics/molecule/reducedUnits/reducedUnits.C b/src/lagrangian/molecularDynamics/molecule/reducedUnits/reducedUnits.C
index e9b048507b..6836c2bc27 100644
--- a/src/lagrangian/molecularDynamics/molecule/reducedUnits/reducedUnits.C
+++ b/src/lagrangian/molecularDynamics/molecule/reducedUnits/reducedUnits.C
@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 1991-2009 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 2008-2009 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
diff --git a/src/lagrangian/molecularDynamics/molecule/reducedUnits/reducedUnits.H b/src/lagrangian/molecularDynamics/molecule/reducedUnits/reducedUnits.H
index 294aa7770e..cce0c725f1 100644
--- a/src/lagrangian/molecularDynamics/molecule/reducedUnits/reducedUnits.H
+++ b/src/lagrangian/molecularDynamics/molecule/reducedUnits/reducedUnits.H
@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 1991-2009 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 2008-2009 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
diff --git a/src/lagrangian/molecularDynamics/molecule/reducedUnits/reducedUnitsI.H b/src/lagrangian/molecularDynamics/molecule/reducedUnits/reducedUnitsI.H
index 8f3ae51b16..72ff243776 100644
--- a/src/lagrangian/molecularDynamics/molecule/reducedUnits/reducedUnitsI.H
+++ b/src/lagrangian/molecularDynamics/molecule/reducedUnits/reducedUnitsI.H
@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 1991-2009 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 2008-2009 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
diff --git a/src/lagrangian/molecularDynamics/molecule/reducedUnits/reducedUnitsIO.C b/src/lagrangian/molecularDynamics/molecule/reducedUnits/reducedUnitsIO.C
index 175a2aa489..03b4489ec5 100644
--- a/src/lagrangian/molecularDynamics/molecule/reducedUnits/reducedUnitsIO.C
+++ b/src/lagrangian/molecularDynamics/molecule/reducedUnits/reducedUnitsIO.C
@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 1991-2009 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 2008-2009 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
diff --git a/src/lagrangian/molecularDynamics/potential/electrostaticPotential/electrostaticPotential.C b/src/lagrangian/molecularDynamics/potential/electrostaticPotential/electrostaticPotential.C
index 17fe776235..bc0f50a944 100644
--- a/src/lagrangian/molecularDynamics/potential/electrostaticPotential/electrostaticPotential.C
+++ b/src/lagrangian/molecularDynamics/potential/electrostaticPotential/electrostaticPotential.C
@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 1991-2009 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 2008-2009 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
diff --git a/src/lagrangian/molecularDynamics/potential/electrostaticPotential/electrostaticPotential.H b/src/lagrangian/molecularDynamics/potential/electrostaticPotential/electrostaticPotential.H
index 0bc0e0d4d0..cee15d771b 100644
--- a/src/lagrangian/molecularDynamics/potential/electrostaticPotential/electrostaticPotential.H
+++ b/src/lagrangian/molecularDynamics/potential/electrostaticPotential/electrostaticPotential.H
@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 1991-2009 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 2008-2009 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
diff --git a/src/lagrangian/molecularDynamics/potential/energyScalingFunction/basic/energyScalingFunction.C b/src/lagrangian/molecularDynamics/potential/energyScalingFunction/basic/energyScalingFunction.C
index c06f90ea27..2110ca8428 100644
--- a/src/lagrangian/molecularDynamics/potential/energyScalingFunction/basic/energyScalingFunction.C
+++ b/src/lagrangian/molecularDynamics/potential/energyScalingFunction/basic/energyScalingFunction.C
@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 1991-2009 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 2008-2009 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
diff --git a/src/lagrangian/molecularDynamics/potential/energyScalingFunction/basic/energyScalingFunction.H b/src/lagrangian/molecularDynamics/potential/energyScalingFunction/basic/energyScalingFunction.H
index 4473fe2bb0..5055db985f 100644
--- a/src/lagrangian/molecularDynamics/potential/energyScalingFunction/basic/energyScalingFunction.H
+++ b/src/lagrangian/molecularDynamics/potential/energyScalingFunction/basic/energyScalingFunction.H
@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 1991-2009 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 2008-2009 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
diff --git a/src/lagrangian/molecularDynamics/potential/energyScalingFunction/basic/newEnergyScalingFunction.C b/src/lagrangian/molecularDynamics/potential/energyScalingFunction/basic/newEnergyScalingFunction.C
index 92166f8632..e9c03e78c0 100644
--- a/src/lagrangian/molecularDynamics/potential/energyScalingFunction/basic/newEnergyScalingFunction.C
+++ b/src/lagrangian/molecularDynamics/potential/energyScalingFunction/basic/newEnergyScalingFunction.C
@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 1991-2009 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 2008-2009 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
diff --git a/src/lagrangian/molecularDynamics/potential/energyScalingFunction/derived/doubleSigmoid/doubleSigmoid.C b/src/lagrangian/molecularDynamics/potential/energyScalingFunction/derived/doubleSigmoid/doubleSigmoid.C
index 6ca0fff321..6c43a1d63e 100644
--- a/src/lagrangian/molecularDynamics/potential/energyScalingFunction/derived/doubleSigmoid/doubleSigmoid.C
+++ b/src/lagrangian/molecularDynamics/potential/energyScalingFunction/derived/doubleSigmoid/doubleSigmoid.C
@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 1991-2009 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 2008-2009 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
diff --git a/src/lagrangian/molecularDynamics/potential/energyScalingFunction/derived/doubleSigmoid/doubleSigmoid.H b/src/lagrangian/molecularDynamics/potential/energyScalingFunction/derived/doubleSigmoid/doubleSigmoid.H
index 6144bc388d..b2b9e189e9 100644
--- a/src/lagrangian/molecularDynamics/potential/energyScalingFunction/derived/doubleSigmoid/doubleSigmoid.H
+++ b/src/lagrangian/molecularDynamics/potential/energyScalingFunction/derived/doubleSigmoid/doubleSigmoid.H
@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 1991-2009 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 2008-2009 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
diff --git a/src/lagrangian/molecularDynamics/potential/energyScalingFunction/derived/noScaling/noScaling.C b/src/lagrangian/molecularDynamics/potential/energyScalingFunction/derived/noScaling/noScaling.C
index ea4ec88ed4..4b89cb174e 100644
--- a/src/lagrangian/molecularDynamics/potential/energyScalingFunction/derived/noScaling/noScaling.C
+++ b/src/lagrangian/molecularDynamics/potential/energyScalingFunction/derived/noScaling/noScaling.C
@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 1991-2009 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 2008-2009 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
diff --git a/src/lagrangian/molecularDynamics/potential/energyScalingFunction/derived/noScaling/noScaling.H b/src/lagrangian/molecularDynamics/potential/energyScalingFunction/derived/noScaling/noScaling.H
index 845634d7be..ea2ad62aef 100644
--- a/src/lagrangian/molecularDynamics/potential/energyScalingFunction/derived/noScaling/noScaling.H
+++ b/src/lagrangian/molecularDynamics/potential/energyScalingFunction/derived/noScaling/noScaling.H
@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 1991-2009 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 2008-2009 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
diff --git a/src/lagrangian/molecularDynamics/potential/energyScalingFunction/derived/shifted/shifted.C b/src/lagrangian/molecularDynamics/potential/energyScalingFunction/derived/shifted/shifted.C
index 90eccc9b80..9b4c5a4b9c 100644
--- a/src/lagrangian/molecularDynamics/potential/energyScalingFunction/derived/shifted/shifted.C
+++ b/src/lagrangian/molecularDynamics/potential/energyScalingFunction/derived/shifted/shifted.C
@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 1991-2009 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 2008-2009 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
diff --git a/src/lagrangian/molecularDynamics/potential/energyScalingFunction/derived/shifted/shifted.H b/src/lagrangian/molecularDynamics/potential/energyScalingFunction/derived/shifted/shifted.H
index 1aeca9e87f..1177a35feb 100644
--- a/src/lagrangian/molecularDynamics/potential/energyScalingFunction/derived/shifted/shifted.H
+++ b/src/lagrangian/molecularDynamics/potential/energyScalingFunction/derived/shifted/shifted.H
@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 1991-2009 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 2008-2009 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
diff --git a/src/lagrangian/molecularDynamics/potential/energyScalingFunction/derived/shiftedForce/shiftedForce.C b/src/lagrangian/molecularDynamics/potential/energyScalingFunction/derived/shiftedForce/shiftedForce.C
index dec8729fae..da2b2baaf0 100644
--- a/src/lagrangian/molecularDynamics/potential/energyScalingFunction/derived/shiftedForce/shiftedForce.C
+++ b/src/lagrangian/molecularDynamics/potential/energyScalingFunction/derived/shiftedForce/shiftedForce.C
@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 1991-2009 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 2008-2009 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
diff --git a/src/lagrangian/molecularDynamics/potential/energyScalingFunction/derived/shiftedForce/shiftedForce.H b/src/lagrangian/molecularDynamics/potential/energyScalingFunction/derived/shiftedForce/shiftedForce.H
index 5f90885481..2ae26169ab 100644
--- a/src/lagrangian/molecularDynamics/potential/energyScalingFunction/derived/shiftedForce/shiftedForce.H
+++ b/src/lagrangian/molecularDynamics/potential/energyScalingFunction/derived/shiftedForce/shiftedForce.H
@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 1991-2009 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 2008-2009 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
diff --git a/src/lagrangian/molecularDynamics/potential/energyScalingFunction/derived/sigmoid/sigmoid.C b/src/lagrangian/molecularDynamics/potential/energyScalingFunction/derived/sigmoid/sigmoid.C
index 43483221ae..443fbb0ade 100644
--- a/src/lagrangian/molecularDynamics/potential/energyScalingFunction/derived/sigmoid/sigmoid.C
+++ b/src/lagrangian/molecularDynamics/potential/energyScalingFunction/derived/sigmoid/sigmoid.C
@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 1991-2009 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 2008-2009 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
diff --git a/src/lagrangian/molecularDynamics/potential/energyScalingFunction/derived/sigmoid/sigmoid.H b/src/lagrangian/molecularDynamics/potential/energyScalingFunction/derived/sigmoid/sigmoid.H
index 81a6e31261..8a37ad8600 100644
--- a/src/lagrangian/molecularDynamics/potential/energyScalingFunction/derived/sigmoid/sigmoid.H
+++ b/src/lagrangian/molecularDynamics/potential/energyScalingFunction/derived/sigmoid/sigmoid.H
@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 1991-2009 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 2008-2009 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
diff --git a/src/lagrangian/molecularDynamics/potential/pairPotential/basic/newPairPotential.C b/src/lagrangian/molecularDynamics/potential/pairPotential/basic/newPairPotential.C
index b5251d733c..d9092c1a24 100644
--- a/src/lagrangian/molecularDynamics/potential/pairPotential/basic/newPairPotential.C
+++ b/src/lagrangian/molecularDynamics/potential/pairPotential/basic/newPairPotential.C
@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 1991-2009 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 2008-2009 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
diff --git a/src/lagrangian/molecularDynamics/potential/pairPotential/basic/pairPotential.C b/src/lagrangian/molecularDynamics/potential/pairPotential/basic/pairPotential.C
index 0d42b0b2f9..b3e609f4e7 100644
--- a/src/lagrangian/molecularDynamics/potential/pairPotential/basic/pairPotential.C
+++ b/src/lagrangian/molecularDynamics/potential/pairPotential/basic/pairPotential.C
@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 1991-2009 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 2008-2009 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
diff --git a/src/lagrangian/molecularDynamics/potential/pairPotential/basic/pairPotential.H b/src/lagrangian/molecularDynamics/potential/pairPotential/basic/pairPotential.H
index c804030307..e1ddc7b544 100644
--- a/src/lagrangian/molecularDynamics/potential/pairPotential/basic/pairPotential.H
+++ b/src/lagrangian/molecularDynamics/potential/pairPotential/basic/pairPotential.H
@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 1991-2009 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 2008-2009 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
diff --git a/src/lagrangian/molecularDynamics/potential/pairPotential/basic/pairPotentialI.H b/src/lagrangian/molecularDynamics/potential/pairPotential/basic/pairPotentialI.H
index f39140c38b..4c2ef76b8e 100644
--- a/src/lagrangian/molecularDynamics/potential/pairPotential/basic/pairPotentialI.H
+++ b/src/lagrangian/molecularDynamics/potential/pairPotential/basic/pairPotentialI.H
@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 1991-2009 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 2008-2009 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
diff --git a/src/lagrangian/molecularDynamics/potential/pairPotential/basic/pairPotentialIO.C b/src/lagrangian/molecularDynamics/potential/pairPotential/basic/pairPotentialIO.C
index 5c0893045a..dffe4233b4 100644
--- a/src/lagrangian/molecularDynamics/potential/pairPotential/basic/pairPotentialIO.C
+++ b/src/lagrangian/molecularDynamics/potential/pairPotential/basic/pairPotentialIO.C
@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 1991-2009 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 2008-2009 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
diff --git a/src/lagrangian/molecularDynamics/potential/pairPotential/derived/azizChen/azizChen.C b/src/lagrangian/molecularDynamics/potential/pairPotential/derived/azizChen/azizChen.C
index 0327f163d5..2d990c110b 100644
--- a/src/lagrangian/molecularDynamics/potential/pairPotential/derived/azizChen/azizChen.C
+++ b/src/lagrangian/molecularDynamics/potential/pairPotential/derived/azizChen/azizChen.C
@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 1991-2009 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 2008-2009 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
diff --git a/src/lagrangian/molecularDynamics/potential/pairPotential/derived/azizChen/azizChen.H b/src/lagrangian/molecularDynamics/potential/pairPotential/derived/azizChen/azizChen.H
index e7904674dd..5af682d87a 100644
--- a/src/lagrangian/molecularDynamics/potential/pairPotential/derived/azizChen/azizChen.H
+++ b/src/lagrangian/molecularDynamics/potential/pairPotential/derived/azizChen/azizChen.H
@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 1991-2009 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 2008-2009 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
diff --git a/src/lagrangian/molecularDynamics/potential/pairPotential/derived/coulomb/coulomb.C b/src/lagrangian/molecularDynamics/potential/pairPotential/derived/coulomb/coulomb.C
index d7a87238f0..21444b215f 100644
--- a/src/lagrangian/molecularDynamics/potential/pairPotential/derived/coulomb/coulomb.C
+++ b/src/lagrangian/molecularDynamics/potential/pairPotential/derived/coulomb/coulomb.C
@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 1991-2009 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 2008-2009 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
diff --git a/src/lagrangian/molecularDynamics/potential/pairPotential/derived/coulomb/coulomb.H b/src/lagrangian/molecularDynamics/potential/pairPotential/derived/coulomb/coulomb.H
index 115884990b..cb3eada59e 100644
--- a/src/lagrangian/molecularDynamics/potential/pairPotential/derived/coulomb/coulomb.H
+++ b/src/lagrangian/molecularDynamics/potential/pairPotential/derived/coulomb/coulomb.H
@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 1991-2009 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 2008-2009 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
diff --git a/src/lagrangian/molecularDynamics/potential/pairPotential/derived/dampedCoulomb/dampedCoulomb.C b/src/lagrangian/molecularDynamics/potential/pairPotential/derived/dampedCoulomb/dampedCoulomb.C
index ca1038350c..711c2a4511 100644
--- a/src/lagrangian/molecularDynamics/potential/pairPotential/derived/dampedCoulomb/dampedCoulomb.C
+++ b/src/lagrangian/molecularDynamics/potential/pairPotential/derived/dampedCoulomb/dampedCoulomb.C
@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 1991-2009 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 2008-2009 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
diff --git a/src/lagrangian/molecularDynamics/potential/pairPotential/derived/dampedCoulomb/dampedCoulomb.H b/src/lagrangian/molecularDynamics/potential/pairPotential/derived/dampedCoulomb/dampedCoulomb.H
index 625d9a9081..eb44399dbe 100644
--- a/src/lagrangian/molecularDynamics/potential/pairPotential/derived/dampedCoulomb/dampedCoulomb.H
+++ b/src/lagrangian/molecularDynamics/potential/pairPotential/derived/dampedCoulomb/dampedCoulomb.H
@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 1991-2009 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 2008-2009 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
diff --git a/src/lagrangian/molecularDynamics/potential/pairPotential/derived/exponentialRepulsion/exponentialRepulsion.C b/src/lagrangian/molecularDynamics/potential/pairPotential/derived/exponentialRepulsion/exponentialRepulsion.C
index ccd54ec787..a303935b1e 100644
--- a/src/lagrangian/molecularDynamics/potential/pairPotential/derived/exponentialRepulsion/exponentialRepulsion.C
+++ b/src/lagrangian/molecularDynamics/potential/pairPotential/derived/exponentialRepulsion/exponentialRepulsion.C
@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 1991-2009 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 2008-2009 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
diff --git a/src/lagrangian/molecularDynamics/potential/pairPotential/derived/exponentialRepulsion/exponentialRepulsion.H b/src/lagrangian/molecularDynamics/potential/pairPotential/derived/exponentialRepulsion/exponentialRepulsion.H
index e579c7e593..148ea002cf 100644
--- a/src/lagrangian/molecularDynamics/potential/pairPotential/derived/exponentialRepulsion/exponentialRepulsion.H
+++ b/src/lagrangian/molecularDynamics/potential/pairPotential/derived/exponentialRepulsion/exponentialRepulsion.H
@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 1991-2009 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 2008-2009 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
diff --git a/src/lagrangian/molecularDynamics/potential/pairPotential/derived/lennardJones/lennardJones.C b/src/lagrangian/molecularDynamics/potential/pairPotential/derived/lennardJones/lennardJones.C
index 9c93f3a70e..4e3e634930 100644
--- a/src/lagrangian/molecularDynamics/potential/pairPotential/derived/lennardJones/lennardJones.C
+++ b/src/lagrangian/molecularDynamics/potential/pairPotential/derived/lennardJones/lennardJones.C
@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 1991-2009 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 2008-2009 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
diff --git a/src/lagrangian/molecularDynamics/potential/pairPotential/derived/lennardJones/lennardJones.H b/src/lagrangian/molecularDynamics/potential/pairPotential/derived/lennardJones/lennardJones.H
index 829827120b..92dc4b5f55 100644
--- a/src/lagrangian/molecularDynamics/potential/pairPotential/derived/lennardJones/lennardJones.H
+++ b/src/lagrangian/molecularDynamics/potential/pairPotential/derived/lennardJones/lennardJones.H
@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 1991-2009 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 2008-2009 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
diff --git a/src/lagrangian/molecularDynamics/potential/pairPotential/derived/maitlandSmith/maitlandSmith.C b/src/lagrangian/molecularDynamics/potential/pairPotential/derived/maitlandSmith/maitlandSmith.C
index a813495f26..6ae3c92add 100644
--- a/src/lagrangian/molecularDynamics/potential/pairPotential/derived/maitlandSmith/maitlandSmith.C
+++ b/src/lagrangian/molecularDynamics/potential/pairPotential/derived/maitlandSmith/maitlandSmith.C
@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 1991-2009 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 2008-2009 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
diff --git a/src/lagrangian/molecularDynamics/potential/pairPotential/derived/maitlandSmith/maitlandSmith.H b/src/lagrangian/molecularDynamics/potential/pairPotential/derived/maitlandSmith/maitlandSmith.H
index d2097b42fe..37468b2daf 100644
--- a/src/lagrangian/molecularDynamics/potential/pairPotential/derived/maitlandSmith/maitlandSmith.H
+++ b/src/lagrangian/molecularDynamics/potential/pairPotential/derived/maitlandSmith/maitlandSmith.H
@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 1991-2009 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 2008-2009 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
diff --git a/src/lagrangian/molecularDynamics/potential/pairPotential/derived/noInteraction/noInteraction.C b/src/lagrangian/molecularDynamics/potential/pairPotential/derived/noInteraction/noInteraction.C
index ca43080d74..d3c08871eb 100644
--- a/src/lagrangian/molecularDynamics/potential/pairPotential/derived/noInteraction/noInteraction.C
+++ b/src/lagrangian/molecularDynamics/potential/pairPotential/derived/noInteraction/noInteraction.C
@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 1991-2009 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 2008-2009 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
diff --git a/src/lagrangian/molecularDynamics/potential/pairPotential/derived/noInteraction/noInteraction.H b/src/lagrangian/molecularDynamics/potential/pairPotential/derived/noInteraction/noInteraction.H
index d4d7a9f208..938f2a30a9 100644
--- a/src/lagrangian/molecularDynamics/potential/pairPotential/derived/noInteraction/noInteraction.H
+++ b/src/lagrangian/molecularDynamics/potential/pairPotential/derived/noInteraction/noInteraction.H
@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 1991-2009 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 2008-2009 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
diff --git a/src/lagrangian/molecularDynamics/potential/pairPotential/pairPotentialList/pairPotentialList.C b/src/lagrangian/molecularDynamics/potential/pairPotential/pairPotentialList/pairPotentialList.C
index 4baf91932f..0172cf94c0 100644
--- a/src/lagrangian/molecularDynamics/potential/pairPotential/pairPotentialList/pairPotentialList.C
+++ b/src/lagrangian/molecularDynamics/potential/pairPotential/pairPotentialList/pairPotentialList.C
@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 1991-2009 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 2008-2009 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
diff --git a/src/lagrangian/molecularDynamics/potential/pairPotential/pairPotentialList/pairPotentialList.H b/src/lagrangian/molecularDynamics/potential/pairPotential/pairPotentialList/pairPotentialList.H
index a70179fc78..19e678eb22 100644
--- a/src/lagrangian/molecularDynamics/potential/pairPotential/pairPotentialList/pairPotentialList.H
+++ b/src/lagrangian/molecularDynamics/potential/pairPotential/pairPotentialList/pairPotentialList.H
@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 1991-2009 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 2008-2009 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
diff --git a/src/lagrangian/molecularDynamics/potential/pairPotential/pairPotentialList/pairPotentialListI.H b/src/lagrangian/molecularDynamics/potential/pairPotential/pairPotentialList/pairPotentialListI.H
index 844f641ca1..0e296697f1 100644
--- a/src/lagrangian/molecularDynamics/potential/pairPotential/pairPotentialList/pairPotentialListI.H
+++ b/src/lagrangian/molecularDynamics/potential/pairPotential/pairPotentialList/pairPotentialListI.H
@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 1991-2009 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 2008-2009 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
diff --git a/src/lagrangian/molecularDynamics/potential/potential/potential.C b/src/lagrangian/molecularDynamics/potential/potential/potential.C
index 506b3be2a7..5532c2f105 100644
--- a/src/lagrangian/molecularDynamics/potential/potential/potential.C
+++ b/src/lagrangian/molecularDynamics/potential/potential/potential.C
@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 1991-2009 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 2008-2009 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
diff --git a/src/lagrangian/molecularDynamics/potential/potential/potential.H b/src/lagrangian/molecularDynamics/potential/potential/potential.H
index 77fca79f5f..5c8569cb0c 100644
--- a/src/lagrangian/molecularDynamics/potential/potential/potential.H
+++ b/src/lagrangian/molecularDynamics/potential/potential/potential.H
@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 1991-2009 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 2008-2009 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
diff --git a/src/lagrangian/molecularDynamics/potential/potential/potentialI.H b/src/lagrangian/molecularDynamics/potential/potential/potentialI.H
index f0cd7de3da..0b72556152 100644
--- a/src/lagrangian/molecularDynamics/potential/potential/potentialI.H
+++ b/src/lagrangian/molecularDynamics/potential/potential/potentialI.H
@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 1991-2009 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 2008-2009 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
diff --git a/src/lagrangian/molecularDynamics/potential/tetherPotential/basic/newTetherPotential.C b/src/lagrangian/molecularDynamics/potential/tetherPotential/basic/newTetherPotential.C
index 4caba50778..d8c4e57532 100644
--- a/src/lagrangian/molecularDynamics/potential/tetherPotential/basic/newTetherPotential.C
+++ b/src/lagrangian/molecularDynamics/potential/tetherPotential/basic/newTetherPotential.C
@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 1991-2009 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 2008-2009 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
diff --git a/src/lagrangian/molecularDynamics/potential/tetherPotential/basic/tetherPotential.C b/src/lagrangian/molecularDynamics/potential/tetherPotential/basic/tetherPotential.C
index 462be33456..4c4708ba96 100644
--- a/src/lagrangian/molecularDynamics/potential/tetherPotential/basic/tetherPotential.C
+++ b/src/lagrangian/molecularDynamics/potential/tetherPotential/basic/tetherPotential.C
@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 1991-2009 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 2008-2009 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
diff --git a/src/lagrangian/molecularDynamics/potential/tetherPotential/basic/tetherPotential.H b/src/lagrangian/molecularDynamics/potential/tetherPotential/basic/tetherPotential.H
index 19a9cddb77..a70da01177 100644
--- a/src/lagrangian/molecularDynamics/potential/tetherPotential/basic/tetherPotential.H
+++ b/src/lagrangian/molecularDynamics/potential/tetherPotential/basic/tetherPotential.H
@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 1991-2009 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 2008-2009 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
diff --git a/src/lagrangian/molecularDynamics/potential/tetherPotential/derived/harmonicSpring/harmonicSpring.C b/src/lagrangian/molecularDynamics/potential/tetherPotential/derived/harmonicSpring/harmonicSpring.C
index 453d5898ab..1edcc70a15 100644
--- a/src/lagrangian/molecularDynamics/potential/tetherPotential/derived/harmonicSpring/harmonicSpring.C
+++ b/src/lagrangian/molecularDynamics/potential/tetherPotential/derived/harmonicSpring/harmonicSpring.C
@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 1991-2009 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 2008-2009 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
diff --git a/src/lagrangian/molecularDynamics/potential/tetherPotential/derived/harmonicSpring/harmonicSpring.H b/src/lagrangian/molecularDynamics/potential/tetherPotential/derived/harmonicSpring/harmonicSpring.H
index 5ecb91023c..90b3251c17 100644
--- a/src/lagrangian/molecularDynamics/potential/tetherPotential/derived/harmonicSpring/harmonicSpring.H
+++ b/src/lagrangian/molecularDynamics/potential/tetherPotential/derived/harmonicSpring/harmonicSpring.H
@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 1991-2009 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 2008-2009 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
diff --git a/src/lagrangian/molecularDynamics/potential/tetherPotential/derived/pitchForkRing/pitchForkRing.C b/src/lagrangian/molecularDynamics/potential/tetherPotential/derived/pitchForkRing/pitchForkRing.C
index 7e12f9ab74..8a3a081f6f 100644
--- a/src/lagrangian/molecularDynamics/potential/tetherPotential/derived/pitchForkRing/pitchForkRing.C
+++ b/src/lagrangian/molecularDynamics/potential/tetherPotential/derived/pitchForkRing/pitchForkRing.C
@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 1991-2009 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 2008-2009 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
diff --git a/src/lagrangian/molecularDynamics/potential/tetherPotential/derived/pitchForkRing/pitchForkRing.H b/src/lagrangian/molecularDynamics/potential/tetherPotential/derived/pitchForkRing/pitchForkRing.H
index f1c734a14f..f78a3aa7c2 100644
--- a/src/lagrangian/molecularDynamics/potential/tetherPotential/derived/pitchForkRing/pitchForkRing.H
+++ b/src/lagrangian/molecularDynamics/potential/tetherPotential/derived/pitchForkRing/pitchForkRing.H
@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 1991-2009 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 2008-2009 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
diff --git a/src/lagrangian/molecularDynamics/potential/tetherPotential/derived/restrainedHarmonicSpring/restrainedHarmonicSpring.C b/src/lagrangian/molecularDynamics/potential/tetherPotential/derived/restrainedHarmonicSpring/restrainedHarmonicSpring.C
index 45a48a4c62..289190798f 100644
--- a/src/lagrangian/molecularDynamics/potential/tetherPotential/derived/restrainedHarmonicSpring/restrainedHarmonicSpring.C
+++ b/src/lagrangian/molecularDynamics/potential/tetherPotential/derived/restrainedHarmonicSpring/restrainedHarmonicSpring.C
@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 1991-2009 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 2008-2009 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
diff --git a/src/lagrangian/molecularDynamics/potential/tetherPotential/derived/restrainedHarmonicSpring/restrainedHarmonicSpring.H b/src/lagrangian/molecularDynamics/potential/tetherPotential/derived/restrainedHarmonicSpring/restrainedHarmonicSpring.H
index 5680437bd3..028809010a 100644
--- a/src/lagrangian/molecularDynamics/potential/tetherPotential/derived/restrainedHarmonicSpring/restrainedHarmonicSpring.H
+++ b/src/lagrangian/molecularDynamics/potential/tetherPotential/derived/restrainedHarmonicSpring/restrainedHarmonicSpring.H
@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 1991-2009 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 2008-2009 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
diff --git a/src/lagrangian/molecularDynamics/potential/tetherPotential/tetherPotentialList/tetherPotentialList.C b/src/lagrangian/molecularDynamics/potential/tetherPotential/tetherPotentialList/tetherPotentialList.C
index 9d52d49c06..d0b514b9b5 100644
--- a/src/lagrangian/molecularDynamics/potential/tetherPotential/tetherPotentialList/tetherPotentialList.C
+++ b/src/lagrangian/molecularDynamics/potential/tetherPotential/tetherPotentialList/tetherPotentialList.C
@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 1991-2009 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 2008-2009 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
diff --git a/src/lagrangian/molecularDynamics/potential/tetherPotential/tetherPotentialList/tetherPotentialList.H b/src/lagrangian/molecularDynamics/potential/tetherPotential/tetherPotentialList/tetherPotentialList.H
index a48cc21ede..cb9bf9633b 100644
--- a/src/lagrangian/molecularDynamics/potential/tetherPotential/tetherPotentialList/tetherPotentialList.H
+++ b/src/lagrangian/molecularDynamics/potential/tetherPotential/tetherPotentialList/tetherPotentialList.H
@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 1991-2009 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 2008-2009 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
diff --git a/src/lagrangian/molecularDynamics/potential/tetherPotential/tetherPotentialList/tetherPotentialListI.H b/src/lagrangian/molecularDynamics/potential/tetherPotential/tetherPotentialList/tetherPotentialListI.H
index 67b1e4dbe6..73834281ef 100644
--- a/src/lagrangian/molecularDynamics/potential/tetherPotential/tetherPotentialList/tetherPotentialListI.H
+++ b/src/lagrangian/molecularDynamics/potential/tetherPotential/tetherPotentialList/tetherPotentialListI.H
@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 1991-2009 OpenCFD Ltd.
+    \\  /    A nd           | Copyright (C) 2008-2009 OpenCFD Ltd.
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License

From ac02c6044285c942d1af1cbfc6d93f568022fc91 Mon Sep 17 00:00:00 2001
From: henry <Henry Weller h.weller@opencfd.co.uk>
Date: Fri, 26 Jun 2009 17:19:09 +0100
Subject: [PATCH 16/21] Changed Boussinesq solvers to use p rather than pd and
 added hotRoom tutorial cases for them.

---
 .../buoyantBoussinesqPisoFoam/Make/options    |   1 +
 .../buoyantBoussinesqPisoFoam/TEqn.H          |   4 +-
 .../buoyantBoussinesqPisoFoam/UEqn.H          |  27 +-
 .../buoyantBoussinesqPisoFoam.C               |  40 +-
 .../buoyantBoussinesqPisoFoam/createFields.H  |  35 +-
 .../{pdEqn.H => pEqn.H}                       |  19 +-
 .../readTransportProperties.H                 |  13 -
 .../writeAdditionalFields.H                   |  29 --
 .../buoyantBoussinesqSimpleFoam/TEqn.H        |   4 +-
 .../buoyantBoussinesqSimpleFoam/UEqn.H        |   8 +-
 .../buoyantBoussinesqSimpleFoam.C             |  34 +-
 .../createFields.H                            |  30 +-
 .../{pdEqn.H => pEqn.H}                       |  23 +-
 .../readTransportProperties.H                 |  10 +-
 .../writeAdditionalFields.H                   |  29 --
 .../buoyantPisoFoam/createFields.H            |   1 -
 src/finiteVolume/Make/files                   |   1 -
 ...ssinesqBuoyantPressureFvPatchScalarField.C | 149 ------
 ...ssinesqBuoyantPressureFvPatchScalarField.H | 148 ------
 ...xedFluxBuoyantPressureFvPatchScalarField.C |  50 +-
 ...xedFluxBuoyantPressureFvPatchScalarField.H |   5 +
 .../totalPressureFvPatchScalarField.C         |   1 -
 .../buoyantBoussinesqPisoFoam/hotRoom/0/T     | 443 ++++++++++++++++++
 .../buoyantBoussinesqPisoFoam/hotRoom/0/T.org | 443 ++++++++++++++++++
 .../buoyantBoussinesqPisoFoam/hotRoom/0/U     |  42 ++
 .../hotRoom/0/alphat                          |  42 ++
 .../hotRoom/0/epsilon                         |  42 ++
 .../hotRoom/0/epsilon.old                     |  42 ++
 .../buoyantBoussinesqPisoFoam/hotRoom/0/k     |  42 ++
 .../buoyantBoussinesqPisoFoam/hotRoom/0/k.old |  42 ++
 .../buoyantBoussinesqPisoFoam/hotRoom/0/mut   |  42 ++
 .../buoyantBoussinesqPisoFoam/hotRoom/0/nut   |  42 ++
 .../buoyantBoussinesqPisoFoam/hotRoom/0/p     |  45 ++
 .../hotRoom/Allclean                          |   7 +
 .../buoyantBoussinesqPisoFoam/hotRoom/Allrun  |  10 +
 .../hotRoom/constant/RASProperties            | 100 ++++
 .../hotRoom/constant/environmentalProperties  |  21 +
 .../hotRoom/constant/polyMesh/blockMeshDict   |  63 +++
 .../hotRoom/constant/polyMesh/boundary        |  40 ++
 .../hotRoom/constant/transportProperties      |  42 ++
 .../hotRoom/system/controlDict                |  50 ++
 .../hotRoom/system/fvSchemes                  |  68 +++
 .../hotRoom/system/fvSolution                 |  87 ++++
 .../buoyantBoussinesqSimpleFoam/hotRoom/0/T   | 443 ++++++++++++++++++
 .../hotRoom/0/T.org                           | 443 ++++++++++++++++++
 .../buoyantBoussinesqSimpleFoam/hotRoom/0/U   |  42 ++
 .../hotRoom/0/alphat                          |  42 ++
 .../hotRoom/0/epsilon                         |  42 ++
 .../hotRoom/0/epsilon.old                     |  42 ++
 .../buoyantBoussinesqSimpleFoam/hotRoom/0/k   |  42 ++
 .../hotRoom/0/k.old                           |  42 ++
 .../buoyantBoussinesqSimpleFoam/hotRoom/0/mut |  42 ++
 .../buoyantBoussinesqSimpleFoam/hotRoom/0/nut |  42 ++
 .../buoyantBoussinesqSimpleFoam/hotRoom/0/p   |  45 ++
 .../hotRoom/Allclean                          |   7 +
 .../hotRoom/Allrun                            |  10 +
 .../hotRoom/constant/RASProperties            | 100 ++++
 .../hotRoom/constant/environmentalProperties  |  21 +
 .../hotRoom/constant/polyMesh/blockMeshDict   |  63 +++
 .../hotRoom/constant/polyMesh/boundary        |  40 ++
 .../hotRoom/constant/transportProperties      |  42 ++
 .../hotRoom/system/controlDict                |  47 ++
 .../hotRoom/system/fvSchemes                  |  68 +++
 .../hotRoom/system/fvSolution                 |  88 ++++
 .../hotRoom/system/controlDict                |   4 +-
 65 files changed, 3671 insertions(+), 502 deletions(-)
 rename applications/solvers/heatTransfer/buoyantBoussinesqPisoFoam/{pdEqn.H => pEqn.H} (55%)
 delete mode 100644 applications/solvers/heatTransfer/buoyantBoussinesqPisoFoam/readTransportProperties.H
 delete mode 100644 applications/solvers/heatTransfer/buoyantBoussinesqPisoFoam/writeAdditionalFields.H
 rename applications/solvers/heatTransfer/buoyantBoussinesqSimpleFoam/{pdEqn.H => pEqn.H} (64%)
 delete mode 100644 applications/solvers/heatTransfer/buoyantBoussinesqSimpleFoam/writeAdditionalFields.H
 delete mode 100644 src/finiteVolume/fields/fvPatchFields/derived/fixedFluxBoussinesqBuoyantPressure/fixedFluxBoussinesqBuoyantPressureFvPatchScalarField.C
 delete mode 100644 src/finiteVolume/fields/fvPatchFields/derived/fixedFluxBoussinesqBuoyantPressure/fixedFluxBoussinesqBuoyantPressureFvPatchScalarField.H
 create mode 100644 tutorials/heatTransfer/buoyantBoussinesqPisoFoam/hotRoom/0/T
 create mode 100644 tutorials/heatTransfer/buoyantBoussinesqPisoFoam/hotRoom/0/T.org
 create mode 100644 tutorials/heatTransfer/buoyantBoussinesqPisoFoam/hotRoom/0/U
 create mode 100644 tutorials/heatTransfer/buoyantBoussinesqPisoFoam/hotRoom/0/alphat
 create mode 100644 tutorials/heatTransfer/buoyantBoussinesqPisoFoam/hotRoom/0/epsilon
 create mode 100644 tutorials/heatTransfer/buoyantBoussinesqPisoFoam/hotRoom/0/epsilon.old
 create mode 100644 tutorials/heatTransfer/buoyantBoussinesqPisoFoam/hotRoom/0/k
 create mode 100644 tutorials/heatTransfer/buoyantBoussinesqPisoFoam/hotRoom/0/k.old
 create mode 100644 tutorials/heatTransfer/buoyantBoussinesqPisoFoam/hotRoom/0/mut
 create mode 100644 tutorials/heatTransfer/buoyantBoussinesqPisoFoam/hotRoom/0/nut
 create mode 100644 tutorials/heatTransfer/buoyantBoussinesqPisoFoam/hotRoom/0/p
 create mode 100755 tutorials/heatTransfer/buoyantBoussinesqPisoFoam/hotRoom/Allclean
 create mode 100755 tutorials/heatTransfer/buoyantBoussinesqPisoFoam/hotRoom/Allrun
 create mode 100644 tutorials/heatTransfer/buoyantBoussinesqPisoFoam/hotRoom/constant/RASProperties
 create mode 100644 tutorials/heatTransfer/buoyantBoussinesqPisoFoam/hotRoom/constant/environmentalProperties
 create mode 100644 tutorials/heatTransfer/buoyantBoussinesqPisoFoam/hotRoom/constant/polyMesh/blockMeshDict
 create mode 100644 tutorials/heatTransfer/buoyantBoussinesqPisoFoam/hotRoom/constant/polyMesh/boundary
 create mode 100644 tutorials/heatTransfer/buoyantBoussinesqPisoFoam/hotRoom/constant/transportProperties
 create mode 100644 tutorials/heatTransfer/buoyantBoussinesqPisoFoam/hotRoom/system/controlDict
 create mode 100644 tutorials/heatTransfer/buoyantBoussinesqPisoFoam/hotRoom/system/fvSchemes
 create mode 100644 tutorials/heatTransfer/buoyantBoussinesqPisoFoam/hotRoom/system/fvSolution
 create mode 100644 tutorials/heatTransfer/buoyantBoussinesqSimpleFoam/hotRoom/0/T
 create mode 100644 tutorials/heatTransfer/buoyantBoussinesqSimpleFoam/hotRoom/0/T.org
 create mode 100644 tutorials/heatTransfer/buoyantBoussinesqSimpleFoam/hotRoom/0/U
 create mode 100644 tutorials/heatTransfer/buoyantBoussinesqSimpleFoam/hotRoom/0/alphat
 create mode 100644 tutorials/heatTransfer/buoyantBoussinesqSimpleFoam/hotRoom/0/epsilon
 create mode 100644 tutorials/heatTransfer/buoyantBoussinesqSimpleFoam/hotRoom/0/epsilon.old
 create mode 100644 tutorials/heatTransfer/buoyantBoussinesqSimpleFoam/hotRoom/0/k
 create mode 100644 tutorials/heatTransfer/buoyantBoussinesqSimpleFoam/hotRoom/0/k.old
 create mode 100644 tutorials/heatTransfer/buoyantBoussinesqSimpleFoam/hotRoom/0/mut
 create mode 100644 tutorials/heatTransfer/buoyantBoussinesqSimpleFoam/hotRoom/0/nut
 create mode 100644 tutorials/heatTransfer/buoyantBoussinesqSimpleFoam/hotRoom/0/p
 create mode 100755 tutorials/heatTransfer/buoyantBoussinesqSimpleFoam/hotRoom/Allclean
 create mode 100755 tutorials/heatTransfer/buoyantBoussinesqSimpleFoam/hotRoom/Allrun
 create mode 100644 tutorials/heatTransfer/buoyantBoussinesqSimpleFoam/hotRoom/constant/RASProperties
 create mode 100644 tutorials/heatTransfer/buoyantBoussinesqSimpleFoam/hotRoom/constant/environmentalProperties
 create mode 100644 tutorials/heatTransfer/buoyantBoussinesqSimpleFoam/hotRoom/constant/polyMesh/blockMeshDict
 create mode 100644 tutorials/heatTransfer/buoyantBoussinesqSimpleFoam/hotRoom/constant/polyMesh/boundary
 create mode 100644 tutorials/heatTransfer/buoyantBoussinesqSimpleFoam/hotRoom/constant/transportProperties
 create mode 100644 tutorials/heatTransfer/buoyantBoussinesqSimpleFoam/hotRoom/system/controlDict
 create mode 100644 tutorials/heatTransfer/buoyantBoussinesqSimpleFoam/hotRoom/system/fvSchemes
 create mode 100644 tutorials/heatTransfer/buoyantBoussinesqSimpleFoam/hotRoom/system/fvSolution

diff --git a/applications/solvers/heatTransfer/buoyantBoussinesqPisoFoam/Make/options b/applications/solvers/heatTransfer/buoyantBoussinesqPisoFoam/Make/options
index a53061a93c..041d2e0605 100644
--- a/applications/solvers/heatTransfer/buoyantBoussinesqPisoFoam/Make/options
+++ b/applications/solvers/heatTransfer/buoyantBoussinesqPisoFoam/Make/options
@@ -1,4 +1,5 @@
 EXE_INC = \
+    -I../buoyantBoussinesqSimpleFoam \
     -I$(LIB_SRC)/finiteVolume/lnInclude \
     -I$(LIB_SRC)/turbulenceModels \
     -I$(LIB_SRC)/turbulenceModels/incompressible/RAS/lnInclude \
diff --git a/applications/solvers/heatTransfer/buoyantBoussinesqPisoFoam/TEqn.H b/applications/solvers/heatTransfer/buoyantBoussinesqPisoFoam/TEqn.H
index e2a89d1441..ece4b8ffe5 100644
--- a/applications/solvers/heatTransfer/buoyantBoussinesqPisoFoam/TEqn.H
+++ b/applications/solvers/heatTransfer/buoyantBoussinesqPisoFoam/TEqn.H
@@ -2,7 +2,7 @@
     volScalarField kappaEff
     (
         "kappaEff",
-        turbulence->nu() + turbulence->nut()/Prt
+        turbulence->nu()/Pr + turbulence->nut()/Prt
     );
 
     fvScalarMatrix TEqn
@@ -15,4 +15,6 @@
     TEqn.relax();
 
     TEqn.solve();
+
+    rhok = 1.0 - beta*(T - TRef);
 }
diff --git a/applications/solvers/heatTransfer/buoyantBoussinesqPisoFoam/UEqn.H b/applications/solvers/heatTransfer/buoyantBoussinesqPisoFoam/UEqn.H
index 3b5b5be249..35387f4ff4 100644
--- a/applications/solvers/heatTransfer/buoyantBoussinesqPisoFoam/UEqn.H
+++ b/applications/solvers/heatTransfer/buoyantBoussinesqPisoFoam/UEqn.H
@@ -1,23 +1,26 @@
     // Solve the momentum equation
 
-    tmp<fvVectorMatrix> UEqn
+    fvVectorMatrix UEqn
     (
         fvm::ddt(U)
       + fvm::div(phi, U)
       + turbulence->divDevReff(U)
     );
 
-    UEqn().relax();
+    UEqn.relax();
 
-    solve
-    (
-        UEqn()
-      ==
-       -fvc::reconstruct
+    if (momentumPredictor)
+    {
+        solve
         (
+            UEqn
+         ==
+            fvc::reconstruct
             (
-                fvc::snGrad(pd)
-              - betaghf*fvc::snGrad(T)
-            ) * mesh.magSf()
-        )
-    );
+                (
+                    fvc::interpolate(rhok)*(g & mesh.Sf())
+                  - fvc::snGrad(p)*mesh.magSf()
+                )
+            )
+        );
+    }
diff --git a/applications/solvers/heatTransfer/buoyantBoussinesqPisoFoam/buoyantBoussinesqPisoFoam.C b/applications/solvers/heatTransfer/buoyantBoussinesqPisoFoam/buoyantBoussinesqPisoFoam.C
index e3cece5b91..3f0ece93cb 100644
--- a/applications/solvers/heatTransfer/buoyantBoussinesqPisoFoam/buoyantBoussinesqPisoFoam.C
+++ b/applications/solvers/heatTransfer/buoyantBoussinesqPisoFoam/buoyantBoussinesqPisoFoam.C
@@ -54,18 +54,17 @@ Description
 
 int main(int argc, char *argv[])
 {
+    #include "setRootCase.H"
+    #include "createTime.H"
+    #include "createMesh.H"
+    #include "readEnvironmentalProperties.H"
+    #include "createFields.H"
+    #include "initContinuityErrs.H"
+    #include "readTimeControls.H"
+    #include "CourantNo.H"
+    #include "setInitialDeltaT.H"
 
-#   include "setRootCase.H"
-#   include "createTime.H"
-#   include "createMesh.H"
-#   include "readEnvironmentalProperties.H"
-#   include "createFields.H"
-#   include "initContinuityErrs.H"
-#   include "readTimeControls.H"
-#   include "CourantNo.H"
-#   include "setInitialDeltaT.H"
-
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+    // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
     Info<< "\nStarting time loop\n" << endl;
 
@@ -73,26 +72,23 @@ int main(int argc, char *argv[])
     {
         Info<< "Time = " << runTime.timeName() << nl << endl;
 
-#       include "readTimeControls.H"
-#       include "readPISOControls.H"
-#       include "CourantNo.H"
-#       include "setDeltaT.H"
+        #include "readTimeControls.H"
+        #include "readPISOControls.H"
+        #include "CourantNo.H"
+        #include "setDeltaT.H"
 
-#       include "UEqn.H"
+        #include "UEqn.H"
+        #include "TEqn.H"
 
         // --- PISO loop
         for (int corr=0; corr<nCorr; corr++)
         {
-#           include "TEqn.H"
-#           include "pdEqn.H"
+            #include "pEqn.H"
         }
 
         turbulence->correct();
 
-        if (runTime.write())
-        {
-#           include "writeAdditionalFields.H"
-        }
+        runTime.write();
 
         Info<< "ExecutionTime = " << runTime.elapsedCpuTime() << " s"
             << "  ClockTime = " << runTime.elapsedClockTime() << " s"
diff --git a/applications/solvers/heatTransfer/buoyantBoussinesqPisoFoam/createFields.H b/applications/solvers/heatTransfer/buoyantBoussinesqPisoFoam/createFields.H
index 5f3f13626d..dde0e38b33 100644
--- a/applications/solvers/heatTransfer/buoyantBoussinesqPisoFoam/createFields.H
+++ b/applications/solvers/heatTransfer/buoyantBoussinesqPisoFoam/createFields.H
@@ -14,13 +14,12 @@
         mesh
     );
 
-    // kinematic pd
-    Info<< "Reading field pd\n" << endl;
-    volScalarField pd
+    Info<< "Reading field p\n" << endl;
+    volScalarField p
     (
         IOobject
         (
-            "pd",
+            "p",
             runTime.timeName(),
             mesh,
             IOobject::MUST_READ,
@@ -53,15 +52,25 @@
         incompressible::RASModel::New(U, phi, laminarTransport)
     );
 
-    Info<< "Calculating field beta*(g.h)\n" << endl;
-    surfaceScalarField betaghf("betagh", beta*(g & mesh.Cf()));
-
-    label pdRefCell = 0;
-    scalar pdRefValue = 0.0;
+    label pRefCell = 0;
+    scalar pRefValue = 0.0;
     setRefCell
     (
-        pd,
-        mesh.solutionDict().subDict("SIMPLE"),
-        pdRefCell,
-        pdRefValue
+        p,
+        mesh.solutionDict().subDict("PISO"),
+        pRefCell,
+        pRefValue
+    );
+
+
+    // Kinematic density for buoyancy force
+    volScalarField rhok
+    (
+        IOobject
+        (
+            "rhok",
+            runTime.timeName(),
+            mesh
+        ),
+        1.0 - beta*(T - TRef)
     );
diff --git a/applications/solvers/heatTransfer/buoyantBoussinesqPisoFoam/pdEqn.H b/applications/solvers/heatTransfer/buoyantBoussinesqPisoFoam/pEqn.H
similarity index 55%
rename from applications/solvers/heatTransfer/buoyantBoussinesqPisoFoam/pdEqn.H
rename to applications/solvers/heatTransfer/buoyantBoussinesqPisoFoam/pEqn.H
index 25e2a9817f..ff0c26f058 100644
--- a/applications/solvers/heatTransfer/buoyantBoussinesqPisoFoam/pdEqn.H
+++ b/applications/solvers/heatTransfer/buoyantBoussinesqPisoFoam/pEqn.H
@@ -1,9 +1,8 @@
 {
-    volScalarField rUA("rUA", 1.0/UEqn().A());
+    volScalarField rUA("rUA", 1.0/UEqn.A());
     surfaceScalarField rUAf("(1|A(U))", fvc::interpolate(rUA));
 
-    U = rUA*UEqn().H();
-    UEqn.clear();
+    U = rUA*UEqn.H();
 
     surfaceScalarField phiU
     (
@@ -11,31 +10,31 @@
       + fvc::ddtPhiCorr(rUA, U, phi)
     );
 
-    phi = phiU + betaghf*fvc::snGrad(T)*rUAf*mesh.magSf();
+    phi = phiU + rUAf*fvc::interpolate(rhok)*(g & mesh.Sf());
 
     for (int nonOrth=0; nonOrth<=nNonOrthCorr; nonOrth++)
     {
-        fvScalarMatrix pdEqn
+        fvScalarMatrix pEqn
         (
-            fvm::laplacian(rUAf, pd) == fvc::div(phi)
+            fvm::laplacian(rUAf, p) == fvc::div(phi)
         );
 
         if (corr == nCorr-1 && nonOrth == nNonOrthCorr)
         {
-            pdEqn.solve(mesh.solver(pd.name() + "Final"));
+            pEqn.solve(mesh.solver(p.name() + "Final"));
         }
         else
         {
-            pdEqn.solve(mesh.solver(pd.name()));
+            pEqn.solve(mesh.solver(p.name()));
         }
 
         if (nonOrth == nNonOrthCorr)
         {
-            phi += pdEqn.flux();
+            phi -= pEqn.flux();
         }
     }
 
-    U -= rUA*fvc::reconstruct((phi - phiU)/rUAf);
+    U += rUA*fvc::reconstruct((phi - phiU)/rUAf);
     U.correctBoundaryConditions();
 
     #include "continuityErrs.H"
diff --git a/applications/solvers/heatTransfer/buoyantBoussinesqPisoFoam/readTransportProperties.H b/applications/solvers/heatTransfer/buoyantBoussinesqPisoFoam/readTransportProperties.H
deleted file mode 100644
index 585128dfde..0000000000
--- a/applications/solvers/heatTransfer/buoyantBoussinesqPisoFoam/readTransportProperties.H
+++ /dev/null
@@ -1,13 +0,0 @@
-    singlePhaseTransportModel laminarTransport(U, phi);
-
-    // thermal expansion coefficient [1/K]
-    dimensionedScalar beta(laminarTransport.lookup("beta"));
-
-    // reference temperature [K]
-    dimensionedScalar TRef(laminarTransport.lookup("TRef"));
-
-    // reference kinematic pressure [m2/s2]
-    dimensionedScalar pRef(laminarTransport.lookup("pRef"));
-
-    // turbulent Prandtl number
-    dimensionedScalar Prt(laminarTransport.lookup("Prt"));
diff --git a/applications/solvers/heatTransfer/buoyantBoussinesqPisoFoam/writeAdditionalFields.H b/applications/solvers/heatTransfer/buoyantBoussinesqPisoFoam/writeAdditionalFields.H
deleted file mode 100644
index 20f7c6ae1d..0000000000
--- a/applications/solvers/heatTransfer/buoyantBoussinesqPisoFoam/writeAdditionalFields.H
+++ /dev/null
@@ -1,29 +0,0 @@
-{
-    volScalarField rhoEff
-    (
-        IOobject
-        (
-            "rhoEff",
-            runTime.timeName(),
-            mesh,
-            IOobject::NO_READ,
-            IOobject::AUTO_WRITE
-        ),
-        1.0 - beta*(T - TRef)
-    );
-    rhoEff.write();
-
-    volScalarField p
-    (
-        IOobject
-        (
-            "p",
-            runTime.timeName(),
-            mesh,
-            IOobject::NO_READ,
-            IOobject::AUTO_WRITE
-        ),
-        pd + rhoEff*(g & mesh.C()) + pRef
-    );
-    p.write();
-}
diff --git a/applications/solvers/heatTransfer/buoyantBoussinesqSimpleFoam/TEqn.H b/applications/solvers/heatTransfer/buoyantBoussinesqSimpleFoam/TEqn.H
index d00f0877ea..7452a0495a 100644
--- a/applications/solvers/heatTransfer/buoyantBoussinesqSimpleFoam/TEqn.H
+++ b/applications/solvers/heatTransfer/buoyantBoussinesqSimpleFoam/TEqn.H
@@ -2,7 +2,7 @@
     volScalarField kappaEff
     (
         "kappaEff",
-        turbulence->nu() + turbulence->nut()/Prt
+        turbulence->nu()/Pr + turbulence->nut()/Prt
     );
 
     fvScalarMatrix TEqn
@@ -16,4 +16,6 @@
 
     eqnResidual = TEqn.solve().initialResidual();
     maxResidual = max(eqnResidual, maxResidual);
+
+    rhok = 1.0 - beta*(T - TRef);
 }
diff --git a/applications/solvers/heatTransfer/buoyantBoussinesqSimpleFoam/UEqn.H b/applications/solvers/heatTransfer/buoyantBoussinesqSimpleFoam/UEqn.H
index cf5c4a1978..a813a2d8b7 100644
--- a/applications/solvers/heatTransfer/buoyantBoussinesqSimpleFoam/UEqn.H
+++ b/applications/solvers/heatTransfer/buoyantBoussinesqSimpleFoam/UEqn.H
@@ -13,12 +13,12 @@
     (
         UEqn()
       ==
-       -fvc::reconstruct
+        fvc::reconstruct
         (
             (
-                fvc::snGrad(pd)
-              - betaghf*fvc::snGrad(T)
-            ) * mesh.magSf()
+                fvc::interpolate(rhok)*(g & mesh.Sf())
+              - fvc::snGrad(p)*mesh.magSf()
+            )
         )
     ).initialResidual();
 
diff --git a/applications/solvers/heatTransfer/buoyantBoussinesqSimpleFoam/buoyantBoussinesqSimpleFoam.C b/applications/solvers/heatTransfer/buoyantBoussinesqSimpleFoam/buoyantBoussinesqSimpleFoam.C
index fafb49d848..63b938fa36 100644
--- a/applications/solvers/heatTransfer/buoyantBoussinesqSimpleFoam/buoyantBoussinesqSimpleFoam.C
+++ b/applications/solvers/heatTransfer/buoyantBoussinesqSimpleFoam/buoyantBoussinesqSimpleFoam.C
@@ -54,15 +54,14 @@ Description
 
 int main(int argc, char *argv[])
 {
+    #include "setRootCase.H"
+    #include "createTime.H"
+    #include "createMesh.H"
+    #include "readEnvironmentalProperties.H"
+    #include "createFields.H"
+    #include "initContinuityErrs.H"
 
-#   include "setRootCase.H"
-#   include "createTime.H"
-#   include "createMesh.H"
-#   include "readEnvironmentalProperties.H"
-#   include "createFields.H"
-#   include "initContinuityErrs.H"
-
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+    // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
     Info<< "\nStarting time loop\n" << endl;
 
@@ -70,30 +69,27 @@ int main(int argc, char *argv[])
     {
         Info<< "Time = " << runTime.timeName() << nl << endl;
 
-#       include "readSIMPLEControls.H"
-#       include "initConvergenceCheck.H"
+        #include "readSIMPLEControls.H"
+        #include "initConvergenceCheck.H"
 
-        pd.storePrevIter();
+        p.storePrevIter();
 
         // Pressure-velocity SIMPLE corrector
         {
-#           include "UEqn.H"
-#           include "TEqn.H"
-#           include "pdEqn.H"
+            #include "UEqn.H"
+            #include "TEqn.H"
+            #include "pEqn.H"
         }
 
         turbulence->correct();
 
-        if (runTime.write())
-        {
-#           include "writeAdditionalFields.H"
-        }
+        runTime.write();
 
         Info<< "ExecutionTime = " << runTime.elapsedCpuTime() << " s"
             << "  ClockTime = " << runTime.elapsedClockTime() << " s"
             << nl << endl;
 
-#       include "convergenceCheck.H"
+        #include "convergenceCheck.H"
     }
 
     Info<< "End\n" << endl;
diff --git a/applications/solvers/heatTransfer/buoyantBoussinesqSimpleFoam/createFields.H b/applications/solvers/heatTransfer/buoyantBoussinesqSimpleFoam/createFields.H
index 5f3f13626d..0e668e9d98 100644
--- a/applications/solvers/heatTransfer/buoyantBoussinesqSimpleFoam/createFields.H
+++ b/applications/solvers/heatTransfer/buoyantBoussinesqSimpleFoam/createFields.H
@@ -14,13 +14,12 @@
         mesh
     );
 
-    // kinematic pd
-    Info<< "Reading field pd\n" << endl;
-    volScalarField pd
+    Info<< "Reading field p\n" << endl;
+    volScalarField p
     (
         IOobject
         (
-            "pd",
+            "p",
             runTime.timeName(),
             mesh,
             IOobject::MUST_READ,
@@ -56,12 +55,25 @@
     Info<< "Calculating field beta*(g.h)\n" << endl;
     surfaceScalarField betaghf("betagh", beta*(g & mesh.Cf()));
 
-    label pdRefCell = 0;
-    scalar pdRefValue = 0.0;
+    label pRefCell = 0;
+    scalar pRefValue = 0.0;
     setRefCell
     (
-        pd,
+        p,
         mesh.solutionDict().subDict("SIMPLE"),
-        pdRefCell,
-        pdRefValue
+        pRefCell,
+        pRefValue
+    );
+
+
+    // Kinematic density for buoyancy force
+    volScalarField rhok
+    (
+        IOobject
+        (
+            "rhok",
+            runTime.timeName(),
+            mesh
+        ),
+        1.0 - beta*(T - TRef)
     );
diff --git a/applications/solvers/heatTransfer/buoyantBoussinesqSimpleFoam/pdEqn.H b/applications/solvers/heatTransfer/buoyantBoussinesqSimpleFoam/pEqn.H
similarity index 64%
rename from applications/solvers/heatTransfer/buoyantBoussinesqSimpleFoam/pdEqn.H
rename to applications/solvers/heatTransfer/buoyantBoussinesqSimpleFoam/pEqn.H
index e782d26c8d..e1d42d738e 100644
--- a/applications/solvers/heatTransfer/buoyantBoussinesqSimpleFoam/pdEqn.H
+++ b/applications/solvers/heatTransfer/buoyantBoussinesqSimpleFoam/pEqn.H
@@ -6,41 +6,42 @@
     UEqn.clear();
 
     phi = fvc::interpolate(U) & mesh.Sf();
-    adjustPhi(phi, U, pd);
-    surfaceScalarField buoyancyPhi = -betaghf*fvc::snGrad(T)*rUAf*mesh.magSf();
-    phi -= buoyancyPhi;
+    adjustPhi(phi, U, p);
+    surfaceScalarField buoyancyPhi =
+        rUAf*fvc::interpolate(rhok)*(g & mesh.Sf());
+    phi += buoyancyPhi;
 
     for (int nonOrth=0; nonOrth<=nNonOrthCorr; nonOrth++)
     {
-        fvScalarMatrix pdEqn
+        fvScalarMatrix pEqn
         (
-            fvm::laplacian(rUAf, pd) == fvc::div(phi)
+            fvm::laplacian(rUAf, p) == fvc::div(phi)
         );
 
-        pdEqn.setReference(pdRefCell, pdRefValue);
+        pEqn.setReference(pRefCell, pRefValue);
 
         // retain the residual from the first iteration
         if (nonOrth == 0)
         {
-            eqnResidual = pdEqn.solve().initialResidual();
+            eqnResidual = pEqn.solve().initialResidual();
             maxResidual = max(eqnResidual, maxResidual);
         }
         else
         {
-            pdEqn.solve();
+            pEqn.solve();
         }
 
         if (nonOrth == nNonOrthCorr)
         {
             // Calculate the conservative fluxes
-            phi -= pdEqn.flux();
+            phi -= pEqn.flux();
 
             // Explicitly relax pressure for momentum corrector
-            pd.relax();
+            p.relax();
 
             // Correct the momentum source with the pressure gradient flux
             // calculated from the relaxed pressure
-            U -= rUA*fvc::reconstruct((buoyancyPhi + pdEqn.flux())/rUAf);
+            U += rUA*fvc::reconstruct((buoyancyPhi - pEqn.flux())/rUAf);
             U.correctBoundaryConditions();
         }
     }
diff --git a/applications/solvers/heatTransfer/buoyantBoussinesqSimpleFoam/readTransportProperties.H b/applications/solvers/heatTransfer/buoyantBoussinesqSimpleFoam/readTransportProperties.H
index 585128dfde..82d101d8c1 100644
--- a/applications/solvers/heatTransfer/buoyantBoussinesqSimpleFoam/readTransportProperties.H
+++ b/applications/solvers/heatTransfer/buoyantBoussinesqSimpleFoam/readTransportProperties.H
@@ -1,13 +1,13 @@
     singlePhaseTransportModel laminarTransport(U, phi);
 
-    // thermal expansion coefficient [1/K]
+    // Thermal expansion coefficient [1/K]
     dimensionedScalar beta(laminarTransport.lookup("beta"));
 
-    // reference temperature [K]
+    // Reference temperature [K]
     dimensionedScalar TRef(laminarTransport.lookup("TRef"));
 
-    // reference kinematic pressure [m2/s2]
-    dimensionedScalar pRef(laminarTransport.lookup("pRef"));
+    // Laminar Prandtl number
+    dimensionedScalar Pr(laminarTransport.lookup("Pr"));
 
-    // turbulent Prandtl number
+    // Turbulent Prandtl number
     dimensionedScalar Prt(laminarTransport.lookup("Prt"));
diff --git a/applications/solvers/heatTransfer/buoyantBoussinesqSimpleFoam/writeAdditionalFields.H b/applications/solvers/heatTransfer/buoyantBoussinesqSimpleFoam/writeAdditionalFields.H
deleted file mode 100644
index 20f7c6ae1d..0000000000
--- a/applications/solvers/heatTransfer/buoyantBoussinesqSimpleFoam/writeAdditionalFields.H
+++ /dev/null
@@ -1,29 +0,0 @@
-{
-    volScalarField rhoEff
-    (
-        IOobject
-        (
-            "rhoEff",
-            runTime.timeName(),
-            mesh,
-            IOobject::NO_READ,
-            IOobject::AUTO_WRITE
-        ),
-        1.0 - beta*(T - TRef)
-    );
-    rhoEff.write();
-
-    volScalarField p
-    (
-        IOobject
-        (
-            "p",
-            runTime.timeName(),
-            mesh,
-            IOobject::NO_READ,
-            IOobject::AUTO_WRITE
-        ),
-        pd + rhoEff*(g & mesh.C()) + pRef
-    );
-    p.write();
-}
diff --git a/applications/solvers/heatTransfer/buoyantPisoFoam/createFields.H b/applications/solvers/heatTransfer/buoyantPisoFoam/createFields.H
index b5c84e435e..b8ac5595e4 100644
--- a/applications/solvers/heatTransfer/buoyantPisoFoam/createFields.H
+++ b/applications/solvers/heatTransfer/buoyantPisoFoam/createFields.H
@@ -65,4 +65,3 @@
     dimensionedScalar initialMass = fvc::domainIntegrate(rho);
 
     dimensionedScalar totalVolume = sum(mesh.V());
-
diff --git a/src/finiteVolume/Make/files b/src/finiteVolume/Make/files
index 313110bd43..0524c0037b 100644
--- a/src/finiteVolume/Make/files
+++ b/src/finiteVolume/Make/files
@@ -109,7 +109,6 @@ $(derivedFvPatchFields)/directMappedFixedValue/directMappedFixedValueFvPatchFiel
 $(derivedFvPatchFields)/directMappedVelocityFluxFixedValue/directMappedVelocityFluxFixedValueFvPatchField.C
 $(derivedFvPatchFields)/fan/fanFvPatchFields.C
 $(derivedFvPatchFields)/fixedFluxBuoyantPressure/fixedFluxBuoyantPressureFvPatchScalarField.C
-$(derivedFvPatchFields)/fixedFluxBoussinesqBuoyantPressure/fixedFluxBoussinesqBuoyantPressureFvPatchScalarField.C
 $(derivedFvPatchFields)/fixedFluxPressure/fixedFluxPressureFvPatchScalarField.C
 $(derivedFvPatchFields)/fixedInternalValueFvPatchField/fixedInternalValueFvPatchFields.C
 $(derivedFvPatchFields)/fixedNormalSlip/fixedNormalSlipFvPatchFields.C
diff --git a/src/finiteVolume/fields/fvPatchFields/derived/fixedFluxBoussinesqBuoyantPressure/fixedFluxBoussinesqBuoyantPressureFvPatchScalarField.C b/src/finiteVolume/fields/fvPatchFields/derived/fixedFluxBoussinesqBuoyantPressure/fixedFluxBoussinesqBuoyantPressureFvPatchScalarField.C
deleted file mode 100644
index 9a75eed168..0000000000
--- a/src/finiteVolume/fields/fvPatchFields/derived/fixedFluxBoussinesqBuoyantPressure/fixedFluxBoussinesqBuoyantPressureFvPatchScalarField.C
+++ /dev/null
@@ -1,149 +0,0 @@
-/*---------------------------------------------------------------------------*\
-  =========                 |
-  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
-   \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 1991-2009 OpenCFD Ltd.
-     \\/     M anipulation  |
--------------------------------------------------------------------------------
-License
-    This file is part of OpenFOAM.
-
-    OpenFOAM is free software; you can redistribute it and/or modify it
-    under the terms of the GNU General Public License as published by the
-    Free Software Foundation; either version 2 of the License, or (at your
-    option) any later version.
-
-    OpenFOAM is distributed in the hope that it will be useful, but WITHOUT
-    ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
-    FITNESS FOR A PARTICULAR PURPOSE.  See the GNU General Public License
-    for more details.
-
-    You should have received a copy of the GNU General Public License
-    along with OpenFOAM; if not, write to the Free Software Foundation,
-    Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
-
-\*---------------------------------------------------------------------------*/
-
-#include "fixedFluxBoussinesqBuoyantPressureFvPatchScalarField.H"
-#include "addToRunTimeSelectionTable.H"
-#include "fvPatchFieldMapper.H"
-#include "volFields.H"
-
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-
-namespace Foam
-{
-
-// * * * * * * * * * * * * * * * * Constructors  * * * * * * * * * * * * * * //
-
-fixedFluxBoussinesqBuoyantPressureFvPatchScalarField::
-fixedFluxBoussinesqBuoyantPressureFvPatchScalarField
-(
-    const fvPatch& p,
-    const DimensionedField<scalar, volMesh>& iF
-)
-:
-    fixedGradientFvPatchScalarField(p, iF)
-{}
-
-
-fixedFluxBoussinesqBuoyantPressureFvPatchScalarField::
-fixedFluxBoussinesqBuoyantPressureFvPatchScalarField
-(
-    const fixedFluxBoussinesqBuoyantPressureFvPatchScalarField& ptf,
-    const fvPatch& p,
-    const DimensionedField<scalar, volMesh>& iF,
-    const fvPatchFieldMapper& mapper
-)
-:
-    fixedGradientFvPatchScalarField(ptf, p, iF, mapper)
-{}
-
-
-fixedFluxBoussinesqBuoyantPressureFvPatchScalarField::
-fixedFluxBoussinesqBuoyantPressureFvPatchScalarField
-(
-    const fvPatch& p,
-    const DimensionedField<scalar, volMesh>& iF,
-    const dictionary&
-)
-:
-    fixedGradientFvPatchScalarField(p, iF)
-{
-    fvPatchField<scalar>::operator=(patchInternalField());
-    gradient() = 0.0;
-}
-
-
-fixedFluxBoussinesqBuoyantPressureFvPatchScalarField::
-fixedFluxBoussinesqBuoyantPressureFvPatchScalarField
-(
-    const fixedFluxBoussinesqBuoyantPressureFvPatchScalarField& wbppsf
-)
-:
-    fixedGradientFvPatchScalarField(wbppsf)
-{}
-
-
-fixedFluxBoussinesqBuoyantPressureFvPatchScalarField::
-fixedFluxBoussinesqBuoyantPressureFvPatchScalarField
-(
-    const fixedFluxBoussinesqBuoyantPressureFvPatchScalarField& wbppsf,
-    const DimensionedField<scalar, volMesh>& iF
-)
-:
-    fixedGradientFvPatchScalarField(wbppsf, iF)
-{}
-
-
-// * * * * * * * * * * * * * * * Member Functions  * * * * * * * * * * * * * //
-
-void fixedFluxBoussinesqBuoyantPressureFvPatchScalarField::updateCoeffs()
-{
-    if (updated())
-    {
-        return;
-    }
-
-    const dictionary& environmentalProperties
-        = db().lookupObject<IOdictionary>("environmentalProperties");
-
-    dimensionedVector g(environmentalProperties.lookup("g"));
-
-    const dictionary& transportProperties
-        = db().lookupObject<IOdictionary>("transportProperties");
-
-    dimensionedScalar beta(transportProperties.lookup("beta"));
-
-    const fvPatchField<scalar>& T =
-        patch().lookupPatchField<volScalarField, scalar>("T");
-
-    gradient() = beta.value()*T.snGrad()*(g.value() & patch().Cf());
-
-    fixedGradientFvPatchScalarField::updateCoeffs();
-}
-
-
-void fixedFluxBoussinesqBuoyantPressureFvPatchScalarField::write
-(
-    Ostream& os
-) const
-{
-    fixedGradientFvPatchScalarField::write(os);
-    writeEntry("value", os);
-}
-
-
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-
-makePatchTypeField
-(
-    fvPatchScalarField,
-    fixedFluxBoussinesqBuoyantPressureFvPatchScalarField
-);
-
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-
-} // End namespace Foam
-
-// ************************************************************************* //
diff --git a/src/finiteVolume/fields/fvPatchFields/derived/fixedFluxBoussinesqBuoyantPressure/fixedFluxBoussinesqBuoyantPressureFvPatchScalarField.H b/src/finiteVolume/fields/fvPatchFields/derived/fixedFluxBoussinesqBuoyantPressure/fixedFluxBoussinesqBuoyantPressureFvPatchScalarField.H
deleted file mode 100644
index 094f880560..0000000000
--- a/src/finiteVolume/fields/fvPatchFields/derived/fixedFluxBoussinesqBuoyantPressure/fixedFluxBoussinesqBuoyantPressureFvPatchScalarField.H
+++ /dev/null
@@ -1,148 +0,0 @@
-/*---------------------------------------------------------------------------*\
-  =========                 |
-  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
-   \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 1991-2009 OpenCFD Ltd.
-     \\/     M anipulation  |
--------------------------------------------------------------------------------
-License
-    This file is part of OpenFOAM.
-
-    OpenFOAM is free software; you can redistribute it and/or modify it
-    under the terms of the GNU General Public License as published by the
-    Free Software Foundation; either version 2 of the License, or (at your
-    option) any later version.
-
-    OpenFOAM is distributed in the hope that it will be useful, but WITHOUT
-    ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
-    FITNESS FOR A PARTICULAR PURPOSE.  See the GNU General Public License
-    for more details.
-
-    You should have received a copy of the GNU General Public License
-    along with OpenFOAM; if not, write to the Free Software Foundation,
-    Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
-
-Class
-    Foam::fixedFluxBoussinesqBuoyantPressureFvPatchScalarField
-
-Description
-    Boundary condition on pressure for use with buoyant solvers employing the
-    Boussinesq approximation to balance the flux generated by the temperature
-    gradient.
-
-SourceFiles
-    fixedFluxBoussinesqBuoyantPressureFvPatchScalarField.C
-
-\*---------------------------------------------------------------------------*/
-
-#ifndef fixedFluxBoussinesqBuoyantPressureFvPatchScalarFields_H
-#define fixedFluxBoussinesqBuoyantPressureFvPatchScalarFields_H
-
-#include "fvPatchFields.H"
-#include "fixedGradientFvPatchFields.H"
-
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-
-namespace Foam
-{
-
-/*---------------------------------------------------------------------------*\
-    Class fixedFluxBoussinesqBuoyantPressureFvPatchScalarField Declaration
-\*---------------------------------------------------------------------------*/
-
-class fixedFluxBoussinesqBuoyantPressureFvPatchScalarField
-:
-    public fixedGradientFvPatchScalarField
-{
-public:
-
-    //- Runtime type information
-    TypeName("fixedFluxBoussinesqBuoyantPressure");
-
-
-    // Constructors
-
-        //- Construct from patch and internal field
-        fixedFluxBoussinesqBuoyantPressureFvPatchScalarField
-        (
-            const fvPatch&,
-            const DimensionedField<scalar, volMesh>&
-        );
-
-        //- Construct from patch, internal field and dictionary
-        fixedFluxBoussinesqBuoyantPressureFvPatchScalarField
-        (
-            const fvPatch&,
-            const DimensionedField<scalar, volMesh>&,
-            const dictionary&
-        );
-
-        //- Construct by mapping given
-        //  fixedFluxBoussinesqBuoyantPressureFvPatchScalarField onto a new
-        //  patch
-        fixedFluxBoussinesqBuoyantPressureFvPatchScalarField
-        (
-            const fixedFluxBoussinesqBuoyantPressureFvPatchScalarField&,
-            const fvPatch&,
-            const DimensionedField<scalar, volMesh>&,
-            const fvPatchFieldMapper&
-        );
-
-        //- Construct as copy
-        fixedFluxBoussinesqBuoyantPressureFvPatchScalarField
-        (
-            const fixedFluxBoussinesqBuoyantPressureFvPatchScalarField&
-        );
-
-        //- Construct and return a clone
-        virtual tmp<fvPatchScalarField> clone() const
-        {
-            return tmp<fvPatchScalarField>
-            (
-                new fixedFluxBoussinesqBuoyantPressureFvPatchScalarField(*this)
-            );
-        }
-
-        //- Construct as copy setting internal field reference
-        fixedFluxBoussinesqBuoyantPressureFvPatchScalarField
-        (
-            const fixedFluxBoussinesqBuoyantPressureFvPatchScalarField&,
-            const DimensionedField<scalar, volMesh>&
-        );
-
-        //- Construct and return a clone setting internal field reference
-        virtual tmp<fvPatchScalarField> clone
-        (
-            const DimensionedField<scalar, volMesh>& iF
-        ) const
-        {
-            return tmp<fvPatchScalarField>
-            (
-                new fixedFluxBoussinesqBuoyantPressureFvPatchScalarField
-                (
-                    *this,
-                    iF
-                )
-            );
-        }
-
-
-    // Member functions
-
-        //- Update the coefficients associated with the patch field
-        virtual void updateCoeffs();
-
-        //- Write
-        virtual void write(Ostream&) const;
-};
-
-
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-
-} // End namespace Foam
-
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-
-#endif
-
-// ************************************************************************* //
diff --git a/src/finiteVolume/fields/fvPatchFields/derived/fixedFluxBuoyantPressure/fixedFluxBuoyantPressureFvPatchScalarField.C b/src/finiteVolume/fields/fvPatchFields/derived/fixedFluxBuoyantPressure/fixedFluxBuoyantPressureFvPatchScalarField.C
index b6f48ff6ad..279918b47a 100644
--- a/src/finiteVolume/fields/fvPatchFields/derived/fixedFluxBuoyantPressure/fixedFluxBuoyantPressureFvPatchScalarField.C
+++ b/src/finiteVolume/fields/fvPatchFields/derived/fixedFluxBuoyantPressure/fixedFluxBuoyantPressureFvPatchScalarField.C
@@ -43,10 +43,27 @@ fixedFluxBuoyantPressureFvPatchScalarField
     const DimensionedField<scalar, volMesh>& iF
 )
 :
-    fixedGradientFvPatchScalarField(p, iF)
+    fixedGradientFvPatchScalarField(p, iF),
+    rhoName_("rho")
 {}
 
 
+fixedFluxBuoyantPressureFvPatchScalarField::
+fixedFluxBuoyantPressureFvPatchScalarField
+(
+    const fvPatch& p,
+    const DimensionedField<scalar, volMesh>& iF,
+    const dictionary& dict
+)
+:
+    fixedGradientFvPatchScalarField(p, iF),
+    rhoName_(dict.lookupOrDefault<word>("rho", "rho"))
+{
+    fvPatchField<scalar>::operator=(patchInternalField());
+    gradient() = 0.0;
+}
+
+
 fixedFluxBuoyantPressureFvPatchScalarField::
 fixedFluxBuoyantPressureFvPatchScalarField
 (
@@ -56,43 +73,31 @@ fixedFluxBuoyantPressureFvPatchScalarField
     const fvPatchFieldMapper& mapper
 )
 :
-    fixedGradientFvPatchScalarField(ptf, p, iF, mapper)
+    fixedGradientFvPatchScalarField(ptf, p, iF, mapper),
+    rhoName_(ptf.rhoName_)
 {}
 
 
 fixedFluxBuoyantPressureFvPatchScalarField::
 fixedFluxBuoyantPressureFvPatchScalarField
 (
-    const fvPatch& p,
-    const DimensionedField<scalar, volMesh>& iF,
-    const dictionary&
+    const fixedFluxBuoyantPressureFvPatchScalarField& ptf
 )
 :
-    fixedGradientFvPatchScalarField(p, iF)
-{
-    fvPatchField<scalar>::operator=(patchInternalField());
-    gradient() = 0.0;
-}
-
-
-fixedFluxBuoyantPressureFvPatchScalarField::
-fixedFluxBuoyantPressureFvPatchScalarField
-(
-    const fixedFluxBuoyantPressureFvPatchScalarField& wbppsf
-)
-:
-    fixedGradientFvPatchScalarField(wbppsf)
+    fixedGradientFvPatchScalarField(ptf),
+    rhoName_(ptf.rhoName_)
 {}
 
 
 fixedFluxBuoyantPressureFvPatchScalarField::
 fixedFluxBuoyantPressureFvPatchScalarField
 (
-    const fixedFluxBuoyantPressureFvPatchScalarField& wbppsf,
+    const fixedFluxBuoyantPressureFvPatchScalarField& ptf,
     const DimensionedField<scalar, volMesh>& iF
 )
 :
-    fixedGradientFvPatchScalarField(wbppsf, iF)
+    fixedGradientFvPatchScalarField(ptf, iF),
+    rhoName_(ptf.rhoName_)
 {}
 
 
@@ -111,7 +116,7 @@ void fixedFluxBuoyantPressureFvPatchScalarField::updateCoeffs()
     dimensionedVector g(environmentalProperties.lookup("g"));
 
     const fvPatchField<scalar>& rho =
-        patch().lookupPatchField<volScalarField, scalar>("rho");
+        patch().lookupPatchField<volScalarField, scalar>(rhoName_);
 
     // If the variable name is "pd" assume it is p - rho*g.h
     // and set the gradient appropriately.
@@ -132,6 +137,7 @@ void fixedFluxBuoyantPressureFvPatchScalarField::updateCoeffs()
 void fixedFluxBuoyantPressureFvPatchScalarField::write(Ostream& os) const
 {
     fixedGradientFvPatchScalarField::write(os);
+    os.writeKeyword("rho") << rhoName_ << token::END_STATEMENT << nl;
     writeEntry("value", os);
 }
 
diff --git a/src/finiteVolume/fields/fvPatchFields/derived/fixedFluxBuoyantPressure/fixedFluxBuoyantPressureFvPatchScalarField.H b/src/finiteVolume/fields/fvPatchFields/derived/fixedFluxBuoyantPressure/fixedFluxBuoyantPressureFvPatchScalarField.H
index 8e433cb8f1..ec5dc7dd99 100644
--- a/src/finiteVolume/fields/fvPatchFields/derived/fixedFluxBuoyantPressure/fixedFluxBuoyantPressureFvPatchScalarField.H
+++ b/src/finiteVolume/fields/fvPatchFields/derived/fixedFluxBuoyantPressure/fixedFluxBuoyantPressureFvPatchScalarField.H
@@ -55,6 +55,11 @@ class fixedFluxBuoyantPressureFvPatchScalarField
 :
     public fixedGradientFvPatchScalarField
 {
+    // Private data
+
+        //- Name of the density field used to calculate the buoyancy force
+        word rhoName_;
+
 
 public:
 
diff --git a/src/finiteVolume/fields/fvPatchFields/derived/totalPressure/totalPressureFvPatchScalarField.C b/src/finiteVolume/fields/fvPatchFields/derived/totalPressure/totalPressureFvPatchScalarField.C
index 76267d4fa6..56ee8a0753 100644
--- a/src/finiteVolume/fields/fvPatchFields/derived/totalPressure/totalPressureFvPatchScalarField.C
+++ b/src/finiteVolume/fields/fvPatchFields/derived/totalPressure/totalPressureFvPatchScalarField.C
@@ -30,7 +30,6 @@ License
 #include "volFields.H"
 #include "surfaceFields.H"
 
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
 // * * * * * * * * * * * * * * * * Constructors  * * * * * * * * * * * * * * //
 
diff --git a/tutorials/heatTransfer/buoyantBoussinesqPisoFoam/hotRoom/0/T b/tutorials/heatTransfer/buoyantBoussinesqPisoFoam/hotRoom/0/T
new file mode 100644
index 0000000000..a5a03f6a2e
--- /dev/null
+++ b/tutorials/heatTransfer/buoyantBoussinesqPisoFoam/hotRoom/0/T
@@ -0,0 +1,443 @@
+/*--------------------------------*- C++ -*----------------------------------*\
+| =========                 |                                                 |
+| \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox           |
+|  \\    /   O peration     | Version:  1.5                                   |
+|   \\  /    A nd           | Web:      http://www.OpenFOAM.org               |
+|    \\/     M anipulation  |                                                 |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+    version     2.0;
+    format      ascii;
+    class       volScalarField;
+    object      T;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+dimensions      [0 0 0 1 0 0 0];
+
+internalField   uniform 300;
+
+boundaryField
+{
+    floor
+    {
+        type            fixedValue;
+        value           nonuniform List<scalar> 
+400
+(
+300
+300
+300
+300
+300
+300
+300
+300
+300
+300
+300
+300
+300
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+300
+300
+300
+300
+300
+300
+300
+300
+300
+300
+)
+;
+    }
+    ceiling
+    {
+        type            fixedValue;
+        value           uniform 300;
+    }
+    fixedWalls
+    {
+        type            zeroGradient;
+    }
+}
+
+// ************************************************************************* //
diff --git a/tutorials/heatTransfer/buoyantBoussinesqPisoFoam/hotRoom/0/T.org b/tutorials/heatTransfer/buoyantBoussinesqPisoFoam/hotRoom/0/T.org
new file mode 100644
index 0000000000..a5a03f6a2e
--- /dev/null
+++ b/tutorials/heatTransfer/buoyantBoussinesqPisoFoam/hotRoom/0/T.org
@@ -0,0 +1,443 @@
+/*--------------------------------*- C++ -*----------------------------------*\
+| =========                 |                                                 |
+| \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox           |
+|  \\    /   O peration     | Version:  1.5                                   |
+|   \\  /    A nd           | Web:      http://www.OpenFOAM.org               |
+|    \\/     M anipulation  |                                                 |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+    version     2.0;
+    format      ascii;
+    class       volScalarField;
+    object      T;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+dimensions      [0 0 0 1 0 0 0];
+
+internalField   uniform 300;
+
+boundaryField
+{
+    floor
+    {
+        type            fixedValue;
+        value           nonuniform List<scalar> 
+400
+(
+300
+300
+300
+300
+300
+300
+300
+300
+300
+300
+300
+300
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+300
+300
+300
+300
+300
+300
+300
+300
+300
+300
+)
+;
+    }
+    ceiling
+    {
+        type            fixedValue;
+        value           uniform 300;
+    }
+    fixedWalls
+    {
+        type            zeroGradient;
+    }
+}
+
+// ************************************************************************* //
diff --git a/tutorials/heatTransfer/buoyantBoussinesqPisoFoam/hotRoom/0/U b/tutorials/heatTransfer/buoyantBoussinesqPisoFoam/hotRoom/0/U
new file mode 100644
index 0000000000..0b6b191dab
--- /dev/null
+++ b/tutorials/heatTransfer/buoyantBoussinesqPisoFoam/hotRoom/0/U
@@ -0,0 +1,42 @@
+/*--------------------------------*- C++ -*----------------------------------*\
+| =========                 |                                                 |
+| \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox           |
+|  \\    /   O peration     | Version:  1.5                                   |
+|   \\  /    A nd           | Web:      http://www.OpenFOAM.org               |
+|    \\/     M anipulation  |                                                 |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+    version     2.0;
+    format      ascii;
+    class       volVectorField;
+    object      U;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+dimensions      [0 1 -1 0 0 0 0];
+
+internalField   uniform (0 0 0);
+
+boundaryField
+{
+    floor           
+    {
+        type            fixedValue;
+        value           uniform (0 0 0);
+    }
+
+    ceiling         
+    {
+        type            fixedValue;
+        value           uniform (0 0 0);
+    }
+
+    fixedWalls      
+    {
+        type            fixedValue;
+        value           uniform (0 0 0);
+    }
+}
+
+// ************************************************************************* //
diff --git a/tutorials/heatTransfer/buoyantBoussinesqPisoFoam/hotRoom/0/alphat b/tutorials/heatTransfer/buoyantBoussinesqPisoFoam/hotRoom/0/alphat
new file mode 100644
index 0000000000..3bcb9c03b1
--- /dev/null
+++ b/tutorials/heatTransfer/buoyantBoussinesqPisoFoam/hotRoom/0/alphat
@@ -0,0 +1,42 @@
+/*--------------------------------*- C++ -*----------------------------------*\
+| =========                 |                                                 |
+| \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox           |
+|  \\    /   O peration     | Version:  1.5                                   |
+|   \\  /    A nd           | Web:      http://www.OpenFOAM.org               |
+|    \\/     M anipulation  |                                                 |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+    version     2.0;
+    format      ascii;
+    class       volScalarField;
+    location    "0";
+    object      alphat;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+dimensions      [1 -1 -1 0 0 0 0];
+
+internalField   uniform 0;
+
+boundaryField
+{
+    floor
+    {
+        type            alphatWallFunction;
+        value           uniform 0;
+    }
+    ceiling
+    {
+        type            alphatWallFunction;
+        value           uniform 0;
+    }
+    fixedWalls
+    {
+        type            alphatWallFunction;
+        value           uniform 0;
+    }
+}
+
+
+// ************************************************************************* //
diff --git a/tutorials/heatTransfer/buoyantBoussinesqPisoFoam/hotRoom/0/epsilon b/tutorials/heatTransfer/buoyantBoussinesqPisoFoam/hotRoom/0/epsilon
new file mode 100644
index 0000000000..892d69375d
--- /dev/null
+++ b/tutorials/heatTransfer/buoyantBoussinesqPisoFoam/hotRoom/0/epsilon
@@ -0,0 +1,42 @@
+/*--------------------------------*- C++ -*----------------------------------*\
+| =========                 |                                                 |
+| \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox           |
+|  \\    /   O peration     | Version:  dev                                   |
+|   \\  /    A nd           | Web:      www.OpenFOAM.org                      |
+|    \\/     M anipulation  |                                                 |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+    version     2.0;
+    format      ascii;
+    class       volScalarField;
+    location    "0";
+    object      epsilon;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+dimensions      [0 2 -3 0 0 0 0];
+
+internalField   uniform 0.01;
+
+boundaryField
+{
+    floor
+    {
+        type            epsilonWallFunction;
+        value           uniform 0.01;
+    }
+    ceiling
+    {
+        type            epsilonWallFunction;
+        value           uniform 0.01;
+    }
+    fixedWalls
+    {
+        type            epsilonWallFunction;
+        value           uniform 0.01;
+    }
+}
+
+
+// ************************************************************************* //
diff --git a/tutorials/heatTransfer/buoyantBoussinesqPisoFoam/hotRoom/0/epsilon.old b/tutorials/heatTransfer/buoyantBoussinesqPisoFoam/hotRoom/0/epsilon.old
new file mode 100644
index 0000000000..23851291dc
--- /dev/null
+++ b/tutorials/heatTransfer/buoyantBoussinesqPisoFoam/hotRoom/0/epsilon.old
@@ -0,0 +1,42 @@
+/*--------------------------------*- C++ -*----------------------------------*\
+| =========                 |                                                 |
+| \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox           |
+|  \\    /   O peration     | Version:  dev                                   |
+|   \\  /    A nd           | Web:      www.OpenFOAM.org                      |
+|    \\/     M anipulation  |                                                 |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+    version     2.0;
+    format      ascii;
+    class       volScalarField;
+    location    "0";
+    object      epsilon;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+dimensions      [0 2 -3 0 0 0 0];
+
+internalField   uniform 0.01;
+
+boundaryField
+{
+    floor
+    {
+        type            compressible::epsilonWallFunction;
+        value           uniform 0.01;
+    }
+    ceiling
+    {
+        type            compressible::epsilonWallFunction;
+        value           uniform 0.01;
+    }
+    fixedWalls
+    {
+        type            compressible::epsilonWallFunction;
+        value           uniform 0.01;
+    }
+}
+
+
+// ************************************************************************* //
diff --git a/tutorials/heatTransfer/buoyantBoussinesqPisoFoam/hotRoom/0/k b/tutorials/heatTransfer/buoyantBoussinesqPisoFoam/hotRoom/0/k
new file mode 100644
index 0000000000..38c2a542ef
--- /dev/null
+++ b/tutorials/heatTransfer/buoyantBoussinesqPisoFoam/hotRoom/0/k
@@ -0,0 +1,42 @@
+/*--------------------------------*- C++ -*----------------------------------*\
+| =========                 |                                                 |
+| \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox           |
+|  \\    /   O peration     | Version:  dev                                   |
+|   \\  /    A nd           | Web:      www.OpenFOAM.org                      |
+|    \\/     M anipulation  |                                                 |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+    version     2.0;
+    format      ascii;
+    class       volScalarField;
+    location    "0";
+    object      k;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+dimensions      [0 2 -2 0 0 0 0];
+
+internalField   uniform 0.1;
+
+boundaryField
+{
+    floor
+    {
+        type            kQRWallFunction;
+        value           uniform 0.1;
+    }
+    ceiling
+    {
+        type            kQRWallFunction;
+        value           uniform 0.1;
+    }
+    fixedWalls
+    {
+        type            kQRWallFunction;
+        value           uniform 0.1;
+    }
+}
+
+
+// ************************************************************************* //
diff --git a/tutorials/heatTransfer/buoyantBoussinesqPisoFoam/hotRoom/0/k.old b/tutorials/heatTransfer/buoyantBoussinesqPisoFoam/hotRoom/0/k.old
new file mode 100644
index 0000000000..4ec7f08960
--- /dev/null
+++ b/tutorials/heatTransfer/buoyantBoussinesqPisoFoam/hotRoom/0/k.old
@@ -0,0 +1,42 @@
+/*--------------------------------*- C++ -*----------------------------------*\
+| =========                 |                                                 |
+| \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox           |
+|  \\    /   O peration     | Version:  dev                                   |
+|   \\  /    A nd           | Web:      www.OpenFOAM.org                      |
+|    \\/     M anipulation  |                                                 |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+    version     2.0;
+    format      ascii;
+    class       volScalarField;
+    location    "0";
+    object      k;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+dimensions      [0 2 -2 0 0 0 0];
+
+internalField   uniform 0.1;
+
+boundaryField
+{
+    floor
+    {
+        type            compressible::kQRWallFunction;
+        value           uniform 0.1;
+    }
+    ceiling
+    {
+        type            compressible::kQRWallFunction;
+        value           uniform 0.1;
+    }
+    fixedWalls
+    {
+        type            compressible::kQRWallFunction;
+        value           uniform 0.1;
+    }
+}
+
+
+// ************************************************************************* //
diff --git a/tutorials/heatTransfer/buoyantBoussinesqPisoFoam/hotRoom/0/mut b/tutorials/heatTransfer/buoyantBoussinesqPisoFoam/hotRoom/0/mut
new file mode 100644
index 0000000000..7c89368296
--- /dev/null
+++ b/tutorials/heatTransfer/buoyantBoussinesqPisoFoam/hotRoom/0/mut
@@ -0,0 +1,42 @@
+/*--------------------------------*- C++ -*----------------------------------*\
+| =========                 |                                                 |
+| \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox           |
+|  \\    /   O peration     | Version:  dev                                   |
+|   \\  /    A nd           | Web:      www.OpenFOAM.org                      |
+|    \\/     M anipulation  |                                                 |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+    version     2.0;
+    format      ascii;
+    class       volScalarField;
+    location    "0";
+    object      mut;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+dimensions      [1 -1 -1 0 0 0 0];
+
+internalField   uniform 0;
+
+boundaryField
+{
+    floor
+    {
+        type            mutWallFunction;
+        value           uniform 0;
+    }
+    ceiling
+    {
+        type            mutWallFunction;
+        value           uniform 0;
+    }
+    fixedWalls
+    {
+        type            mutWallFunction;
+        value           uniform 0;
+    }
+}
+
+
+// ************************************************************************* //
diff --git a/tutorials/heatTransfer/buoyantBoussinesqPisoFoam/hotRoom/0/nut b/tutorials/heatTransfer/buoyantBoussinesqPisoFoam/hotRoom/0/nut
new file mode 100644
index 0000000000..a81ad6b59f
--- /dev/null
+++ b/tutorials/heatTransfer/buoyantBoussinesqPisoFoam/hotRoom/0/nut
@@ -0,0 +1,42 @@
+/*--------------------------------*- C++ -*----------------------------------*\
+| =========                 |                                                 |
+| \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox           |
+|  \\    /   O peration     | Version:  dev                                   |
+|   \\  /    A nd           | Web:      www.OpenFOAM.org                      |
+|    \\/     M anipulation  |                                                 |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+    version     2.0;
+    format      ascii;
+    class       volScalarField;
+    location    "0";
+    object      nut;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+dimensions      [0 2 -1 0 0 0 0];
+
+internalField   uniform 0;
+
+boundaryField
+{
+    floor
+    {
+        type            nutWallFunction;
+        value           uniform 0;
+    }
+    ceiling
+    {
+        type            nutWallFunction;
+        value           uniform 0;
+    }
+    fixedWalls
+    {
+        type            nutWallFunction;
+        value           uniform 0;
+    }
+}
+
+
+// ************************************************************************* //
diff --git a/tutorials/heatTransfer/buoyantBoussinesqPisoFoam/hotRoom/0/p b/tutorials/heatTransfer/buoyantBoussinesqPisoFoam/hotRoom/0/p
new file mode 100644
index 0000000000..2014ca6e8c
--- /dev/null
+++ b/tutorials/heatTransfer/buoyantBoussinesqPisoFoam/hotRoom/0/p
@@ -0,0 +1,45 @@
+/*--------------------------------*- C++ -*----------------------------------*\
+| =========                 |                                                 |
+| \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox           |
+|  \\    /   O peration     | Version:  1.5                                   |
+|   \\  /    A nd           | Web:      http://www.OpenFOAM.org               |
+|    \\/     M anipulation  |                                                 |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+    version     2.0;
+    format      ascii;
+    class       volScalarField;
+    object      p;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+dimensions      [0 2 -2 0 0 0 0];
+
+internalField   uniform 0;
+
+boundaryField
+{
+    floor
+    {
+        type            fixedFluxBuoyantPressure;
+        rho             rhok;
+        value           uniform 0;
+    }
+
+    ceiling
+    {
+        type            fixedFluxBuoyantPressure;
+        rho             rhok;
+        value           uniform 0;
+    }
+
+    fixedWalls
+    {
+        type            fixedFluxBuoyantPressure;
+        rho             rhok;
+        value           uniform 0;
+    }
+}
+
+// ************************************************************************* //
diff --git a/tutorials/heatTransfer/buoyantBoussinesqPisoFoam/hotRoom/Allclean b/tutorials/heatTransfer/buoyantBoussinesqPisoFoam/hotRoom/Allclean
new file mode 100755
index 0000000000..83fcec83ec
--- /dev/null
+++ b/tutorials/heatTransfer/buoyantBoussinesqPisoFoam/hotRoom/Allclean
@@ -0,0 +1,7 @@
+#!/bin/sh
+
+# Source tutorial clean functions
+. $WM_PROJECT_DIR/bin/tools/CleanFunctions
+
+cleanCase
+cp 0/T.org 0/T
diff --git a/tutorials/heatTransfer/buoyantBoussinesqPisoFoam/hotRoom/Allrun b/tutorials/heatTransfer/buoyantBoussinesqPisoFoam/hotRoom/Allrun
new file mode 100755
index 0000000000..92490b5b5e
--- /dev/null
+++ b/tutorials/heatTransfer/buoyantBoussinesqPisoFoam/hotRoom/Allrun
@@ -0,0 +1,10 @@
+#!/bin/sh
+# Source tutorial run functions
+. $WM_PROJECT_DIR/bin/tools/RunFunctions
+
+application="buoyantBoussinesqPisoFoam"
+
+compileApplication ../../buoyantPisoFoam/hotRoom/setHotRoom
+runApplication blockMesh
+runApplication setHotRoom
+runApplication $application
diff --git a/tutorials/heatTransfer/buoyantBoussinesqPisoFoam/hotRoom/constant/RASProperties b/tutorials/heatTransfer/buoyantBoussinesqPisoFoam/hotRoom/constant/RASProperties
new file mode 100644
index 0000000000..35b5a409f2
--- /dev/null
+++ b/tutorials/heatTransfer/buoyantBoussinesqPisoFoam/hotRoom/constant/RASProperties
@@ -0,0 +1,100 @@
+/*--------------------------------*- C++ -*----------------------------------*\
+| =========                 |                                                 |
+| \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox           |
+|  \\    /   O peration     | Version:  1.5                                   |
+|   \\  /    A nd           | Web:      www.OpenFOAM.org                      |
+|    \\/     M anipulation  |                                                 |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+    version     2.0;
+    format      ascii;
+    class       dictionary;
+    location    "constant";
+    object      RASProperties;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+RASModel        kEpsilon;
+
+turbulence      on;
+
+printCoeffs     on;
+
+laminarCoeffs
+{
+}
+
+kEpsilonCoeffs
+{
+    Cmu             0.09;
+    C1              1.44;
+    C2              1.92;
+    C3              0.85;
+    alphah          1;
+    alphak          1;
+    alphaEps        0.76923;
+}
+
+RNGkEpsilonCoeffs
+{
+    Cmu             0.0845;
+    C1              1.42;
+    C2              1.68;
+    C3              -0.33;
+    alphah          1;
+    alphak          1.39;
+    alphaEps        1.39;
+    eta0            4.38;
+    beta            0.012;
+}
+
+LaunderSharmaKECoeffs
+{
+    Cmu             0.09;
+    C1              1.44;
+    C2              1.92;
+    C3              -0.33;
+    alphah          1;
+    alphak          1;
+    alphaEps        0.76923;
+}
+
+LRRCoeffs
+{
+    Cmu             0.09;
+    Clrr1           1.8;
+    Clrr2           0.6;
+    C1              1.44;
+    C2              1.92;
+    alphah          1;
+    Cs              0.25;
+    Ceps            0.15;
+    alphaR          1;
+    alphaEps        0.76923;
+}
+
+LaunderGibsonRSTMCoeffs
+{
+    Cmu             0.09;
+    Clg1            1.8;
+    Clg2            0.6;
+    C1              1.44;
+    C2              1.92;
+    alphah          1;
+    C1Ref           0.5;
+    C2Ref           0.3;
+    Cs              0.25;
+    Ceps            0.15;
+    alphaR          1;
+    alphaEps        0.76923;
+}
+
+wallFunctionCoeffs
+{
+    kappa           0.4187;
+    E               9;
+}
+
+
+// ************************************************************************* //
diff --git a/tutorials/heatTransfer/buoyantBoussinesqPisoFoam/hotRoom/constant/environmentalProperties b/tutorials/heatTransfer/buoyantBoussinesqPisoFoam/hotRoom/constant/environmentalProperties
new file mode 100644
index 0000000000..a866ff549f
--- /dev/null
+++ b/tutorials/heatTransfer/buoyantBoussinesqPisoFoam/hotRoom/constant/environmentalProperties
@@ -0,0 +1,21 @@
+/*--------------------------------*- C++ -*----------------------------------*\
+| =========                 |                                                 |
+| \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox           |
+|  \\    /   O peration     | Version:  1.5                                   |
+|   \\  /    A nd           | Web:      www.OpenFOAM.org                      |
+|    \\/     M anipulation  |                                                 |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+    version     2.0;
+    format      ascii;
+    class       dictionary;
+    location    "constant";
+    object      environmentalProperties;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+g               g [ 0 1 -2 0 0 0 0 ] ( 0 -9.81 0 );
+
+
+// ************************************************************************* //
diff --git a/tutorials/heatTransfer/buoyantBoussinesqPisoFoam/hotRoom/constant/polyMesh/blockMeshDict b/tutorials/heatTransfer/buoyantBoussinesqPisoFoam/hotRoom/constant/polyMesh/blockMeshDict
new file mode 100644
index 0000000000..fa2bb5c4c6
--- /dev/null
+++ b/tutorials/heatTransfer/buoyantBoussinesqPisoFoam/hotRoom/constant/polyMesh/blockMeshDict
@@ -0,0 +1,63 @@
+/*--------------------------------*- C++ -*----------------------------------*\
+| =========                 |                                                 |
+| \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox           |
+|  \\    /   O peration     | Version:  1.5                                   |
+|   \\  /    A nd           | Web:      http://www.OpenFOAM.org               |
+|    \\/     M anipulation  |                                                 |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+    version     2.0;
+    format      ascii;
+    class       dictionary;
+    object      blockMeshDict;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+convertToMeters 1;
+
+vertices        
+(
+    (0 0 0)
+    (10 0 0)
+    (10 5 0)
+    (0 5 0)
+    (0 0 10)
+    (10 0 10)
+    (10 5 10)
+    (0 5 10)
+);
+
+blocks          
+(
+    hex (0 1 2 3 4 5 6 7) (20 10 20) simpleGrading (1 1 1)
+);
+
+edges           
+(
+);
+
+patches         
+(
+    wall floor 
+    (
+        (1 5 4 0)
+    )
+    wall ceiling 
+    (
+        (3 7 6 2)
+    )
+    wall fixedWalls 
+    (
+        (0 4 7 3)
+        (2 6 5 1)
+        (0 3 2 1)
+        (4 5 6 7)
+    )
+);
+
+mergePatchPairs
+(
+);
+
+// ************************************************************************* //
diff --git a/tutorials/heatTransfer/buoyantBoussinesqPisoFoam/hotRoom/constant/polyMesh/boundary b/tutorials/heatTransfer/buoyantBoussinesqPisoFoam/hotRoom/constant/polyMesh/boundary
new file mode 100644
index 0000000000..0d4d0e498d
--- /dev/null
+++ b/tutorials/heatTransfer/buoyantBoussinesqPisoFoam/hotRoom/constant/polyMesh/boundary
@@ -0,0 +1,40 @@
+/*--------------------------------*- C++ -*----------------------------------*\
+| =========                 |                                                 |
+| \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox           |
+|  \\    /   O peration     | Version:  dev                                   |
+|   \\  /    A nd           | Web:      www.OpenFOAM.org                      |
+|    \\/     M anipulation  |                                                 |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+    version     2.0;
+    format      ascii;
+    class       polyBoundaryMesh;
+    location    "constant/polyMesh";
+    object      boundary;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+3
+(
+    floor
+    {
+        type            wall;
+        nFaces          400;
+        startFace       11200;
+    }
+    ceiling
+    {
+        type            wall;
+        nFaces          400;
+        startFace       11600;
+    }
+    fixedWalls
+    {
+        type            wall;
+        nFaces          800;
+        startFace       12000;
+    }
+)
+
+// ************************************************************************* //
diff --git a/tutorials/heatTransfer/buoyantBoussinesqPisoFoam/hotRoom/constant/transportProperties b/tutorials/heatTransfer/buoyantBoussinesqPisoFoam/hotRoom/constant/transportProperties
new file mode 100644
index 0000000000..f48fda19cc
--- /dev/null
+++ b/tutorials/heatTransfer/buoyantBoussinesqPisoFoam/hotRoom/constant/transportProperties
@@ -0,0 +1,42 @@
+/*---------------------------------------------------------------------------*\
+| =========                 |                                                 |
+| \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox           |
+|  \\    /   O peration     | Version:  1.5.x                                 |
+|   \\  /    A nd           | Web:      http://www.openfoam.org               |
+|    \\/     M anipulation  |                                                 |
+\*---------------------------------------------------------------------------*/
+
+FoamFile
+{
+    version         2.0;
+    format          ascii;
+
+    root            "";
+    case            "";
+    instance        "";
+    local           "";
+
+    class           dictionary;
+    object          transportProperties;
+}
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+transportModel Newtonian;
+
+// Laminar viscosity
+nu              nu [0 2 -1 0 0 0 0] 1e-05;
+
+// Thermal expansion coefficient
+beta            beta [0 0 0 -1 0 0 0] 3e-03;
+
+// Reference temperature
+TRef            TRef [0 0 0 1 0 0 0] 300;
+
+// Laminar Prandtl number
+Pr              Pr [0 0 0 0 0 0 0] 0.9;
+
+// Turbulent Prandtl number
+Prt             Prt [0 0 0 0 0 0 0] 0.7;
+
+// ************************************************************************* //
diff --git a/tutorials/heatTransfer/buoyantBoussinesqPisoFoam/hotRoom/system/controlDict b/tutorials/heatTransfer/buoyantBoussinesqPisoFoam/hotRoom/system/controlDict
new file mode 100644
index 0000000000..26a1219ee0
--- /dev/null
+++ b/tutorials/heatTransfer/buoyantBoussinesqPisoFoam/hotRoom/system/controlDict
@@ -0,0 +1,50 @@
+/*--------------------------------*- C++ -*----------------------------------*\
+| =========                 |                                                 |
+| \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox           |
+|  \\    /   O peration     | Version:  1.5                                   |
+|   \\  /    A nd           | Web:      www.OpenFOAM.org                      |
+|    \\/     M anipulation  |                                                 |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+    version     2.0;
+    format      ascii;
+    class       dictionary;
+    location    "system";
+    object      controlDict;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+startFrom       startTime;
+
+startTime       0;
+
+stopAt          endTime;
+
+endTime         1000;
+
+deltaT          1;
+
+writeControl    timeStep;
+
+writeInterval   100;
+
+purgeWrite      0;
+
+writeFormat     ascii;
+
+writePrecision  6;
+
+writeCompression uncompressed;
+
+timeFormat      general;
+
+timePrecision   6;
+
+runTimeModifiable yes;
+
+adjustTimeStep  no;
+
+maxCo           0.5;
+
+// ************************************************************************* //
diff --git a/tutorials/heatTransfer/buoyantBoussinesqPisoFoam/hotRoom/system/fvSchemes b/tutorials/heatTransfer/buoyantBoussinesqPisoFoam/hotRoom/system/fvSchemes
new file mode 100644
index 0000000000..6be8f0129f
--- /dev/null
+++ b/tutorials/heatTransfer/buoyantBoussinesqPisoFoam/hotRoom/system/fvSchemes
@@ -0,0 +1,68 @@
+/*--------------------------------*- C++ -*----------------------------------*\
+| =========                 |                                                 |
+| \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox           |
+|  \\    /   O peration     | Version:  1.5                                   |
+|   \\  /    A nd           | Web:      www.OpenFOAM.org                      |
+|    \\/     M anipulation  |                                                 |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+    version     2.0;
+    format      ascii;
+    class       dictionary;
+    location    "system";
+    object      fvSchemes;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+ddtSchemes
+{
+    default         Euler;
+}
+
+gradSchemes
+{
+    default         Gauss linear;
+}
+
+divSchemes
+{
+    default         none;
+    div(phi,U)      Gauss upwind;
+    div(phi,T)      Gauss upwind;
+    div(phi,k)      Gauss upwind;
+    div(phi,epsilon) Gauss upwind;
+    div(phi,R)      Gauss upwind;
+    div(R)          Gauss linear;
+    div((nuEff*dev(grad(U).T()))) Gauss linear;
+}
+
+laplacianSchemes
+{
+    default         none;
+    laplacian(nuEff,U) Gauss linear corrected;
+    laplacian((1|A(U)),p) Gauss linear corrected;
+    laplacian(kappaEff,T) Gauss linear corrected;
+    laplacian(DkEff,k) Gauss linear corrected;
+    laplacian(DepsilonEff,epsilon) Gauss linear corrected;
+    laplacian(DREff,R) Gauss linear corrected;
+}
+
+interpolationSchemes
+{
+    default         linear;
+}
+
+snGradSchemes
+{
+    default         corrected;
+}
+
+fluxRequired
+{
+    default         no;
+    p               ;
+}
+
+
+// ************************************************************************* //
diff --git a/tutorials/heatTransfer/buoyantBoussinesqPisoFoam/hotRoom/system/fvSolution b/tutorials/heatTransfer/buoyantBoussinesqPisoFoam/hotRoom/system/fvSolution
new file mode 100644
index 0000000000..7afa2f50aa
--- /dev/null
+++ b/tutorials/heatTransfer/buoyantBoussinesqPisoFoam/hotRoom/system/fvSolution
@@ -0,0 +1,87 @@
+/*--------------------------------*- C++ -*----------------------------------*\
+| =========                 |                                                 |
+| \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox           |
+|  \\    /   O peration     | Version:  1.5                                   |
+|   \\  /    A nd           | Web:      www.OpenFOAM.org                      |
+|    \\/     M anipulation  |                                                 |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+    version     2.0;
+    format      ascii;
+    class       dictionary;
+    location    "system";
+    object      fvSolution;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+solvers
+{
+    p
+    {
+        solver          PCG;
+        preconditioner  DIC;
+        tolerance       1e-07;
+        relTol          0.1;
+    }
+
+    pFinal
+    {
+        solver          PCG;
+        preconditioner  DIC;
+        tolerance       1e-07;
+        relTol          0;
+    }
+
+    U
+    {
+        solver          PBiCG;
+        preconditioner  DILU;
+        tolerance       1e-05;
+        relTol          0;
+    }
+
+    T
+    {
+        solver          PBiCG;
+        preconditioner  DILU;
+        tolerance       1e-05;
+        relTol          0;
+    }
+
+    k
+    {
+        solver          PBiCG;
+        preconditioner  DILU;
+        tolerance       1e-05;
+        relTol          0;
+    }
+
+    epsilon
+    {
+        solver          PBiCG;
+        preconditioner  DILU;
+        tolerance       1e-05;
+        relTol          0;
+    }
+
+    R
+    {
+        solver          PBiCG;
+        preconditioner  DILU;
+        tolerance       1e-05;
+        relTol          0;
+    }
+}
+
+PISO
+{
+    momentumPredictor yes;
+    nCorrectors     2;
+    nNonOrthogonalCorrectors 0;
+    pRefCell        0;
+    pRefValue       0;
+}
+
+
+// ************************************************************************* //
diff --git a/tutorials/heatTransfer/buoyantBoussinesqSimpleFoam/hotRoom/0/T b/tutorials/heatTransfer/buoyantBoussinesqSimpleFoam/hotRoom/0/T
new file mode 100644
index 0000000000..a5a03f6a2e
--- /dev/null
+++ b/tutorials/heatTransfer/buoyantBoussinesqSimpleFoam/hotRoom/0/T
@@ -0,0 +1,443 @@
+/*--------------------------------*- C++ -*----------------------------------*\
+| =========                 |                                                 |
+| \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox           |
+|  \\    /   O peration     | Version:  1.5                                   |
+|   \\  /    A nd           | Web:      http://www.OpenFOAM.org               |
+|    \\/     M anipulation  |                                                 |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+    version     2.0;
+    format      ascii;
+    class       volScalarField;
+    object      T;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+dimensions      [0 0 0 1 0 0 0];
+
+internalField   uniform 300;
+
+boundaryField
+{
+    floor
+    {
+        type            fixedValue;
+        value           nonuniform List<scalar> 
+400
+(
+300
+300
+300
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+300
+300
+300
+300
+)
+;
+    }
+    ceiling
+    {
+        type            fixedValue;
+        value           uniform 300;
+    }
+    fixedWalls
+    {
+        type            zeroGradient;
+    }
+}
+
+// ************************************************************************* //
diff --git a/tutorials/heatTransfer/buoyantBoussinesqSimpleFoam/hotRoom/0/T.org b/tutorials/heatTransfer/buoyantBoussinesqSimpleFoam/hotRoom/0/T.org
new file mode 100644
index 0000000000..a5a03f6a2e
--- /dev/null
+++ b/tutorials/heatTransfer/buoyantBoussinesqSimpleFoam/hotRoom/0/T.org
@@ -0,0 +1,443 @@
+/*--------------------------------*- C++ -*----------------------------------*\
+| =========                 |                                                 |
+| \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox           |
+|  \\    /   O peration     | Version:  1.5                                   |
+|   \\  /    A nd           | Web:      http://www.OpenFOAM.org               |
+|    \\/     M anipulation  |                                                 |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+    version     2.0;
+    format      ascii;
+    class       volScalarField;
+    object      T;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+dimensions      [0 0 0 1 0 0 0];
+
+internalField   uniform 300;
+
+boundaryField
+{
+    floor
+    {
+        type            fixedValue;
+        value           nonuniform List<scalar> 
+400
+(
+300
+300
+300
+300
+300
+300
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+300
+300
+300
+300
+300
+300
+)
+;
+    }
+    ceiling
+    {
+        type            fixedValue;
+        value           uniform 300;
+    }
+    fixedWalls
+    {
+        type            zeroGradient;
+    }
+}
+
+// ************************************************************************* //
diff --git a/tutorials/heatTransfer/buoyantBoussinesqSimpleFoam/hotRoom/0/U b/tutorials/heatTransfer/buoyantBoussinesqSimpleFoam/hotRoom/0/U
new file mode 100644
index 0000000000..0b6b191dab
--- /dev/null
+++ b/tutorials/heatTransfer/buoyantBoussinesqSimpleFoam/hotRoom/0/U
@@ -0,0 +1,42 @@
+/*--------------------------------*- C++ -*----------------------------------*\
+| =========                 |                                                 |
+| \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox           |
+|  \\    /   O peration     | Version:  1.5                                   |
+|   \\  /    A nd           | Web:      http://www.OpenFOAM.org               |
+|    \\/     M anipulation  |                                                 |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+    version     2.0;
+    format      ascii;
+    class       volVectorField;
+    object      U;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+dimensions      [0 1 -1 0 0 0 0];
+
+internalField   uniform (0 0 0);
+
+boundaryField
+{
+    floor           
+    {
+        type            fixedValue;
+        value           uniform (0 0 0);
+    }
+
+    ceiling         
+    {
+        type            fixedValue;
+        value           uniform (0 0 0);
+    }
+
+    fixedWalls      
+    {
+        type            fixedValue;
+        value           uniform (0 0 0);
+    }
+}
+
+// ************************************************************************* //
diff --git a/tutorials/heatTransfer/buoyantBoussinesqSimpleFoam/hotRoom/0/alphat b/tutorials/heatTransfer/buoyantBoussinesqSimpleFoam/hotRoom/0/alphat
new file mode 100644
index 0000000000..3bcb9c03b1
--- /dev/null
+++ b/tutorials/heatTransfer/buoyantBoussinesqSimpleFoam/hotRoom/0/alphat
@@ -0,0 +1,42 @@
+/*--------------------------------*- C++ -*----------------------------------*\
+| =========                 |                                                 |
+| \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox           |
+|  \\    /   O peration     | Version:  1.5                                   |
+|   \\  /    A nd           | Web:      http://www.OpenFOAM.org               |
+|    \\/     M anipulation  |                                                 |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+    version     2.0;
+    format      ascii;
+    class       volScalarField;
+    location    "0";
+    object      alphat;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+dimensions      [1 -1 -1 0 0 0 0];
+
+internalField   uniform 0;
+
+boundaryField
+{
+    floor
+    {
+        type            alphatWallFunction;
+        value           uniform 0;
+    }
+    ceiling
+    {
+        type            alphatWallFunction;
+        value           uniform 0;
+    }
+    fixedWalls
+    {
+        type            alphatWallFunction;
+        value           uniform 0;
+    }
+}
+
+
+// ************************************************************************* //
diff --git a/tutorials/heatTransfer/buoyantBoussinesqSimpleFoam/hotRoom/0/epsilon b/tutorials/heatTransfer/buoyantBoussinesqSimpleFoam/hotRoom/0/epsilon
new file mode 100644
index 0000000000..892d69375d
--- /dev/null
+++ b/tutorials/heatTransfer/buoyantBoussinesqSimpleFoam/hotRoom/0/epsilon
@@ -0,0 +1,42 @@
+/*--------------------------------*- C++ -*----------------------------------*\
+| =========                 |                                                 |
+| \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox           |
+|  \\    /   O peration     | Version:  dev                                   |
+|   \\  /    A nd           | Web:      www.OpenFOAM.org                      |
+|    \\/     M anipulation  |                                                 |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+    version     2.0;
+    format      ascii;
+    class       volScalarField;
+    location    "0";
+    object      epsilon;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+dimensions      [0 2 -3 0 0 0 0];
+
+internalField   uniform 0.01;
+
+boundaryField
+{
+    floor
+    {
+        type            epsilonWallFunction;
+        value           uniform 0.01;
+    }
+    ceiling
+    {
+        type            epsilonWallFunction;
+        value           uniform 0.01;
+    }
+    fixedWalls
+    {
+        type            epsilonWallFunction;
+        value           uniform 0.01;
+    }
+}
+
+
+// ************************************************************************* //
diff --git a/tutorials/heatTransfer/buoyantBoussinesqSimpleFoam/hotRoom/0/epsilon.old b/tutorials/heatTransfer/buoyantBoussinesqSimpleFoam/hotRoom/0/epsilon.old
new file mode 100644
index 0000000000..23851291dc
--- /dev/null
+++ b/tutorials/heatTransfer/buoyantBoussinesqSimpleFoam/hotRoom/0/epsilon.old
@@ -0,0 +1,42 @@
+/*--------------------------------*- C++ -*----------------------------------*\
+| =========                 |                                                 |
+| \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox           |
+|  \\    /   O peration     | Version:  dev                                   |
+|   \\  /    A nd           | Web:      www.OpenFOAM.org                      |
+|    \\/     M anipulation  |                                                 |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+    version     2.0;
+    format      ascii;
+    class       volScalarField;
+    location    "0";
+    object      epsilon;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+dimensions      [0 2 -3 0 0 0 0];
+
+internalField   uniform 0.01;
+
+boundaryField
+{
+    floor
+    {
+        type            compressible::epsilonWallFunction;
+        value           uniform 0.01;
+    }
+    ceiling
+    {
+        type            compressible::epsilonWallFunction;
+        value           uniform 0.01;
+    }
+    fixedWalls
+    {
+        type            compressible::epsilonWallFunction;
+        value           uniform 0.01;
+    }
+}
+
+
+// ************************************************************************* //
diff --git a/tutorials/heatTransfer/buoyantBoussinesqSimpleFoam/hotRoom/0/k b/tutorials/heatTransfer/buoyantBoussinesqSimpleFoam/hotRoom/0/k
new file mode 100644
index 0000000000..38c2a542ef
--- /dev/null
+++ b/tutorials/heatTransfer/buoyantBoussinesqSimpleFoam/hotRoom/0/k
@@ -0,0 +1,42 @@
+/*--------------------------------*- C++ -*----------------------------------*\
+| =========                 |                                                 |
+| \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox           |
+|  \\    /   O peration     | Version:  dev                                   |
+|   \\  /    A nd           | Web:      www.OpenFOAM.org                      |
+|    \\/     M anipulation  |                                                 |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+    version     2.0;
+    format      ascii;
+    class       volScalarField;
+    location    "0";
+    object      k;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+dimensions      [0 2 -2 0 0 0 0];
+
+internalField   uniform 0.1;
+
+boundaryField
+{
+    floor
+    {
+        type            kQRWallFunction;
+        value           uniform 0.1;
+    }
+    ceiling
+    {
+        type            kQRWallFunction;
+        value           uniform 0.1;
+    }
+    fixedWalls
+    {
+        type            kQRWallFunction;
+        value           uniform 0.1;
+    }
+}
+
+
+// ************************************************************************* //
diff --git a/tutorials/heatTransfer/buoyantBoussinesqSimpleFoam/hotRoom/0/k.old b/tutorials/heatTransfer/buoyantBoussinesqSimpleFoam/hotRoom/0/k.old
new file mode 100644
index 0000000000..4ec7f08960
--- /dev/null
+++ b/tutorials/heatTransfer/buoyantBoussinesqSimpleFoam/hotRoom/0/k.old
@@ -0,0 +1,42 @@
+/*--------------------------------*- C++ -*----------------------------------*\
+| =========                 |                                                 |
+| \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox           |
+|  \\    /   O peration     | Version:  dev                                   |
+|   \\  /    A nd           | Web:      www.OpenFOAM.org                      |
+|    \\/     M anipulation  |                                                 |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+    version     2.0;
+    format      ascii;
+    class       volScalarField;
+    location    "0";
+    object      k;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+dimensions      [0 2 -2 0 0 0 0];
+
+internalField   uniform 0.1;
+
+boundaryField
+{
+    floor
+    {
+        type            compressible::kQRWallFunction;
+        value           uniform 0.1;
+    }
+    ceiling
+    {
+        type            compressible::kQRWallFunction;
+        value           uniform 0.1;
+    }
+    fixedWalls
+    {
+        type            compressible::kQRWallFunction;
+        value           uniform 0.1;
+    }
+}
+
+
+// ************************************************************************* //
diff --git a/tutorials/heatTransfer/buoyantBoussinesqSimpleFoam/hotRoom/0/mut b/tutorials/heatTransfer/buoyantBoussinesqSimpleFoam/hotRoom/0/mut
new file mode 100644
index 0000000000..7c89368296
--- /dev/null
+++ b/tutorials/heatTransfer/buoyantBoussinesqSimpleFoam/hotRoom/0/mut
@@ -0,0 +1,42 @@
+/*--------------------------------*- C++ -*----------------------------------*\
+| =========                 |                                                 |
+| \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox           |
+|  \\    /   O peration     | Version:  dev                                   |
+|   \\  /    A nd           | Web:      www.OpenFOAM.org                      |
+|    \\/     M anipulation  |                                                 |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+    version     2.0;
+    format      ascii;
+    class       volScalarField;
+    location    "0";
+    object      mut;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+dimensions      [1 -1 -1 0 0 0 0];
+
+internalField   uniform 0;
+
+boundaryField
+{
+    floor
+    {
+        type            mutWallFunction;
+        value           uniform 0;
+    }
+    ceiling
+    {
+        type            mutWallFunction;
+        value           uniform 0;
+    }
+    fixedWalls
+    {
+        type            mutWallFunction;
+        value           uniform 0;
+    }
+}
+
+
+// ************************************************************************* //
diff --git a/tutorials/heatTransfer/buoyantBoussinesqSimpleFoam/hotRoom/0/nut b/tutorials/heatTransfer/buoyantBoussinesqSimpleFoam/hotRoom/0/nut
new file mode 100644
index 0000000000..a81ad6b59f
--- /dev/null
+++ b/tutorials/heatTransfer/buoyantBoussinesqSimpleFoam/hotRoom/0/nut
@@ -0,0 +1,42 @@
+/*--------------------------------*- C++ -*----------------------------------*\
+| =========                 |                                                 |
+| \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox           |
+|  \\    /   O peration     | Version:  dev                                   |
+|   \\  /    A nd           | Web:      www.OpenFOAM.org                      |
+|    \\/     M anipulation  |                                                 |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+    version     2.0;
+    format      ascii;
+    class       volScalarField;
+    location    "0";
+    object      nut;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+dimensions      [0 2 -1 0 0 0 0];
+
+internalField   uniform 0;
+
+boundaryField
+{
+    floor
+    {
+        type            nutWallFunction;
+        value           uniform 0;
+    }
+    ceiling
+    {
+        type            nutWallFunction;
+        value           uniform 0;
+    }
+    fixedWalls
+    {
+        type            nutWallFunction;
+        value           uniform 0;
+    }
+}
+
+
+// ************************************************************************* //
diff --git a/tutorials/heatTransfer/buoyantBoussinesqSimpleFoam/hotRoom/0/p b/tutorials/heatTransfer/buoyantBoussinesqSimpleFoam/hotRoom/0/p
new file mode 100644
index 0000000000..2014ca6e8c
--- /dev/null
+++ b/tutorials/heatTransfer/buoyantBoussinesqSimpleFoam/hotRoom/0/p
@@ -0,0 +1,45 @@
+/*--------------------------------*- C++ -*----------------------------------*\
+| =========                 |                                                 |
+| \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox           |
+|  \\    /   O peration     | Version:  1.5                                   |
+|   \\  /    A nd           | Web:      http://www.OpenFOAM.org               |
+|    \\/     M anipulation  |                                                 |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+    version     2.0;
+    format      ascii;
+    class       volScalarField;
+    object      p;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+dimensions      [0 2 -2 0 0 0 0];
+
+internalField   uniform 0;
+
+boundaryField
+{
+    floor
+    {
+        type            fixedFluxBuoyantPressure;
+        rho             rhok;
+        value           uniform 0;
+    }
+
+    ceiling
+    {
+        type            fixedFluxBuoyantPressure;
+        rho             rhok;
+        value           uniform 0;
+    }
+
+    fixedWalls
+    {
+        type            fixedFluxBuoyantPressure;
+        rho             rhok;
+        value           uniform 0;
+    }
+}
+
+// ************************************************************************* //
diff --git a/tutorials/heatTransfer/buoyantBoussinesqSimpleFoam/hotRoom/Allclean b/tutorials/heatTransfer/buoyantBoussinesqSimpleFoam/hotRoom/Allclean
new file mode 100755
index 0000000000..83fcec83ec
--- /dev/null
+++ b/tutorials/heatTransfer/buoyantBoussinesqSimpleFoam/hotRoom/Allclean
@@ -0,0 +1,7 @@
+#!/bin/sh
+
+# Source tutorial clean functions
+. $WM_PROJECT_DIR/bin/tools/CleanFunctions
+
+cleanCase
+cp 0/T.org 0/T
diff --git a/tutorials/heatTransfer/buoyantBoussinesqSimpleFoam/hotRoom/Allrun b/tutorials/heatTransfer/buoyantBoussinesqSimpleFoam/hotRoom/Allrun
new file mode 100755
index 0000000000..628624c702
--- /dev/null
+++ b/tutorials/heatTransfer/buoyantBoussinesqSimpleFoam/hotRoom/Allrun
@@ -0,0 +1,10 @@
+#!/bin/sh
+# Source tutorial run functions
+. $WM_PROJECT_DIR/bin/tools/RunFunctions
+
+application="buoyantBoussinesqSimpleFoam"
+
+compileApplication ../../buoyantPisoFoam/hotRoom/setHotRoom
+runApplication blockMesh
+runApplication setHotRoom
+runApplication $application
diff --git a/tutorials/heatTransfer/buoyantBoussinesqSimpleFoam/hotRoom/constant/RASProperties b/tutorials/heatTransfer/buoyantBoussinesqSimpleFoam/hotRoom/constant/RASProperties
new file mode 100644
index 0000000000..35b5a409f2
--- /dev/null
+++ b/tutorials/heatTransfer/buoyantBoussinesqSimpleFoam/hotRoom/constant/RASProperties
@@ -0,0 +1,100 @@
+/*--------------------------------*- C++ -*----------------------------------*\
+| =========                 |                                                 |
+| \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox           |
+|  \\    /   O peration     | Version:  1.5                                   |
+|   \\  /    A nd           | Web:      www.OpenFOAM.org                      |
+|    \\/     M anipulation  |                                                 |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+    version     2.0;
+    format      ascii;
+    class       dictionary;
+    location    "constant";
+    object      RASProperties;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+RASModel        kEpsilon;
+
+turbulence      on;
+
+printCoeffs     on;
+
+laminarCoeffs
+{
+}
+
+kEpsilonCoeffs
+{
+    Cmu             0.09;
+    C1              1.44;
+    C2              1.92;
+    C3              0.85;
+    alphah          1;
+    alphak          1;
+    alphaEps        0.76923;
+}
+
+RNGkEpsilonCoeffs
+{
+    Cmu             0.0845;
+    C1              1.42;
+    C2              1.68;
+    C3              -0.33;
+    alphah          1;
+    alphak          1.39;
+    alphaEps        1.39;
+    eta0            4.38;
+    beta            0.012;
+}
+
+LaunderSharmaKECoeffs
+{
+    Cmu             0.09;
+    C1              1.44;
+    C2              1.92;
+    C3              -0.33;
+    alphah          1;
+    alphak          1;
+    alphaEps        0.76923;
+}
+
+LRRCoeffs
+{
+    Cmu             0.09;
+    Clrr1           1.8;
+    Clrr2           0.6;
+    C1              1.44;
+    C2              1.92;
+    alphah          1;
+    Cs              0.25;
+    Ceps            0.15;
+    alphaR          1;
+    alphaEps        0.76923;
+}
+
+LaunderGibsonRSTMCoeffs
+{
+    Cmu             0.09;
+    Clg1            1.8;
+    Clg2            0.6;
+    C1              1.44;
+    C2              1.92;
+    alphah          1;
+    C1Ref           0.5;
+    C2Ref           0.3;
+    Cs              0.25;
+    Ceps            0.15;
+    alphaR          1;
+    alphaEps        0.76923;
+}
+
+wallFunctionCoeffs
+{
+    kappa           0.4187;
+    E               9;
+}
+
+
+// ************************************************************************* //
diff --git a/tutorials/heatTransfer/buoyantBoussinesqSimpleFoam/hotRoom/constant/environmentalProperties b/tutorials/heatTransfer/buoyantBoussinesqSimpleFoam/hotRoom/constant/environmentalProperties
new file mode 100644
index 0000000000..a866ff549f
--- /dev/null
+++ b/tutorials/heatTransfer/buoyantBoussinesqSimpleFoam/hotRoom/constant/environmentalProperties
@@ -0,0 +1,21 @@
+/*--------------------------------*- C++ -*----------------------------------*\
+| =========                 |                                                 |
+| \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox           |
+|  \\    /   O peration     | Version:  1.5                                   |
+|   \\  /    A nd           | Web:      www.OpenFOAM.org                      |
+|    \\/     M anipulation  |                                                 |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+    version     2.0;
+    format      ascii;
+    class       dictionary;
+    location    "constant";
+    object      environmentalProperties;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+g               g [ 0 1 -2 0 0 0 0 ] ( 0 -9.81 0 );
+
+
+// ************************************************************************* //
diff --git a/tutorials/heatTransfer/buoyantBoussinesqSimpleFoam/hotRoom/constant/polyMesh/blockMeshDict b/tutorials/heatTransfer/buoyantBoussinesqSimpleFoam/hotRoom/constant/polyMesh/blockMeshDict
new file mode 100644
index 0000000000..fa2bb5c4c6
--- /dev/null
+++ b/tutorials/heatTransfer/buoyantBoussinesqSimpleFoam/hotRoom/constant/polyMesh/blockMeshDict
@@ -0,0 +1,63 @@
+/*--------------------------------*- C++ -*----------------------------------*\
+| =========                 |                                                 |
+| \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox           |
+|  \\    /   O peration     | Version:  1.5                                   |
+|   \\  /    A nd           | Web:      http://www.OpenFOAM.org               |
+|    \\/     M anipulation  |                                                 |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+    version     2.0;
+    format      ascii;
+    class       dictionary;
+    object      blockMeshDict;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+convertToMeters 1;
+
+vertices        
+(
+    (0 0 0)
+    (10 0 0)
+    (10 5 0)
+    (0 5 0)
+    (0 0 10)
+    (10 0 10)
+    (10 5 10)
+    (0 5 10)
+);
+
+blocks          
+(
+    hex (0 1 2 3 4 5 6 7) (20 10 20) simpleGrading (1 1 1)
+);
+
+edges           
+(
+);
+
+patches         
+(
+    wall floor 
+    (
+        (1 5 4 0)
+    )
+    wall ceiling 
+    (
+        (3 7 6 2)
+    )
+    wall fixedWalls 
+    (
+        (0 4 7 3)
+        (2 6 5 1)
+        (0 3 2 1)
+        (4 5 6 7)
+    )
+);
+
+mergePatchPairs
+(
+);
+
+// ************************************************************************* //
diff --git a/tutorials/heatTransfer/buoyantBoussinesqSimpleFoam/hotRoom/constant/polyMesh/boundary b/tutorials/heatTransfer/buoyantBoussinesqSimpleFoam/hotRoom/constant/polyMesh/boundary
new file mode 100644
index 0000000000..0d4d0e498d
--- /dev/null
+++ b/tutorials/heatTransfer/buoyantBoussinesqSimpleFoam/hotRoom/constant/polyMesh/boundary
@@ -0,0 +1,40 @@
+/*--------------------------------*- C++ -*----------------------------------*\
+| =========                 |                                                 |
+| \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox           |
+|  \\    /   O peration     | Version:  dev                                   |
+|   \\  /    A nd           | Web:      www.OpenFOAM.org                      |
+|    \\/     M anipulation  |                                                 |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+    version     2.0;
+    format      ascii;
+    class       polyBoundaryMesh;
+    location    "constant/polyMesh";
+    object      boundary;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+3
+(
+    floor
+    {
+        type            wall;
+        nFaces          400;
+        startFace       11200;
+    }
+    ceiling
+    {
+        type            wall;
+        nFaces          400;
+        startFace       11600;
+    }
+    fixedWalls
+    {
+        type            wall;
+        nFaces          800;
+        startFace       12000;
+    }
+)
+
+// ************************************************************************* //
diff --git a/tutorials/heatTransfer/buoyantBoussinesqSimpleFoam/hotRoom/constant/transportProperties b/tutorials/heatTransfer/buoyantBoussinesqSimpleFoam/hotRoom/constant/transportProperties
new file mode 100644
index 0000000000..f48fda19cc
--- /dev/null
+++ b/tutorials/heatTransfer/buoyantBoussinesqSimpleFoam/hotRoom/constant/transportProperties
@@ -0,0 +1,42 @@
+/*---------------------------------------------------------------------------*\
+| =========                 |                                                 |
+| \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox           |
+|  \\    /   O peration     | Version:  1.5.x                                 |
+|   \\  /    A nd           | Web:      http://www.openfoam.org               |
+|    \\/     M anipulation  |                                                 |
+\*---------------------------------------------------------------------------*/
+
+FoamFile
+{
+    version         2.0;
+    format          ascii;
+
+    root            "";
+    case            "";
+    instance        "";
+    local           "";
+
+    class           dictionary;
+    object          transportProperties;
+}
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+transportModel Newtonian;
+
+// Laminar viscosity
+nu              nu [0 2 -1 0 0 0 0] 1e-05;
+
+// Thermal expansion coefficient
+beta            beta [0 0 0 -1 0 0 0] 3e-03;
+
+// Reference temperature
+TRef            TRef [0 0 0 1 0 0 0] 300;
+
+// Laminar Prandtl number
+Pr              Pr [0 0 0 0 0 0 0] 0.9;
+
+// Turbulent Prandtl number
+Prt             Prt [0 0 0 0 0 0 0] 0.7;
+
+// ************************************************************************* //
diff --git a/tutorials/heatTransfer/buoyantBoussinesqSimpleFoam/hotRoom/system/controlDict b/tutorials/heatTransfer/buoyantBoussinesqSimpleFoam/hotRoom/system/controlDict
new file mode 100644
index 0000000000..bfc52cf914
--- /dev/null
+++ b/tutorials/heatTransfer/buoyantBoussinesqSimpleFoam/hotRoom/system/controlDict
@@ -0,0 +1,47 @@
+/*--------------------------------*- C++ -*----------------------------------*\
+| =========                 |                                                 |
+| \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox           |
+|  \\    /   O peration     | Version:  1.5                                   |
+|   \\  /    A nd           | Web:      www.OpenFOAM.org                      |
+|    \\/     M anipulation  |                                                 |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+    version     2.0;
+    format      ascii;
+    class       dictionary;
+    location    "system";
+    object      controlDict;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+startFrom       latestTime;
+
+startTime       0;
+
+stopAt          endTime;
+
+endTime         1000;
+
+deltaT          1;
+
+writeControl    timeStep;
+
+writeInterval   100;
+
+purgeWrite      0;
+
+writeFormat     ascii;
+
+writePrecision  6;
+
+writeCompression uncompressed;
+
+timeFormat      general;
+
+timePrecision   6;
+
+runTimeModifiable yes;
+
+
+// ************************************************************************* //
diff --git a/tutorials/heatTransfer/buoyantBoussinesqSimpleFoam/hotRoom/system/fvSchemes b/tutorials/heatTransfer/buoyantBoussinesqSimpleFoam/hotRoom/system/fvSchemes
new file mode 100644
index 0000000000..b54bb86316
--- /dev/null
+++ b/tutorials/heatTransfer/buoyantBoussinesqSimpleFoam/hotRoom/system/fvSchemes
@@ -0,0 +1,68 @@
+/*--------------------------------*- C++ -*----------------------------------*\
+| =========                 |                                                 |
+| \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox           |
+|  \\    /   O peration     | Version:  1.5                                   |
+|   \\  /    A nd           | Web:      www.OpenFOAM.org                      |
+|    \\/     M anipulation  |                                                 |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+    version     2.0;
+    format      ascii;
+    class       dictionary;
+    location    "system";
+    object      fvSchemes;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+ddtSchemes
+{
+    default         steadyState;
+}
+
+gradSchemes
+{
+    default         Gauss linear;
+}
+
+divSchemes
+{
+    default         none;
+    div(phi,U)      Gauss upwind;
+    div(phi,T)      Gauss upwind;
+    div(phi,k)      Gauss upwind;
+    div(phi,epsilon) Gauss upwind;
+    div(phi,R)      Gauss upwind;
+    div(R)          Gauss linear;
+    div((nuEff*dev(grad(U).T()))) Gauss linear;
+}
+
+laplacianSchemes
+{
+    default         none;
+    laplacian(nuEff,U) Gauss linear corrected;
+    laplacian((1|A(U)),p) Gauss linear corrected;
+    laplacian(kappaEff,T) Gauss linear corrected;
+    laplacian(DkEff,k) Gauss linear corrected;
+    laplacian(DepsilonEff,epsilon) Gauss linear corrected;
+    laplacian(DREff,R) Gauss linear corrected;
+}
+
+interpolationSchemes
+{
+    default         linear;
+}
+
+snGradSchemes
+{
+    default         corrected;
+}
+
+fluxRequired
+{
+    default         no;
+    p               ;
+}
+
+
+// ************************************************************************* //
diff --git a/tutorials/heatTransfer/buoyantBoussinesqSimpleFoam/hotRoom/system/fvSolution b/tutorials/heatTransfer/buoyantBoussinesqSimpleFoam/hotRoom/system/fvSolution
new file mode 100644
index 0000000000..e11f41a5e1
--- /dev/null
+++ b/tutorials/heatTransfer/buoyantBoussinesqSimpleFoam/hotRoom/system/fvSolution
@@ -0,0 +1,88 @@
+/*--------------------------------*- C++ -*----------------------------------*\
+| =========                 |                                                 |
+| \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox           |
+|  \\    /   O peration     | Version:  1.5                                   |
+|   \\  /    A nd           | Web:      www.OpenFOAM.org                      |
+|    \\/     M anipulation  |                                                 |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+    version     2.0;
+    format      ascii;
+    class       dictionary;
+    location    "system";
+    object      fvSolution;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+solvers
+{
+    p
+    {
+        solver          PCG;
+        preconditioner  DIC;
+        tolerance       1e-08;
+        relTol          0;
+    }
+
+    U
+    {
+        solver          PBiCG;
+        preconditioner  DILU;
+        tolerance       1e-05;
+        relTol          0;
+    }
+
+    T
+    {
+        solver          PBiCG;
+        preconditioner  DILU;
+        tolerance       1e-05;
+        relTol          0;
+    }
+
+    k
+    {
+        solver          PBiCG;
+        preconditioner  DILU;
+        tolerance       1e-05;
+        relTol          0;
+    }
+
+    epsilon
+    {
+        solver          PBiCG;
+        preconditioner  DILU;
+        tolerance       1e-05;
+        relTol          0;
+    }
+
+    R
+    {
+        solver          PBiCG;
+        preconditioner  DILU;
+        tolerance       1e-05;
+        relTol          0;
+    }
+}
+
+SIMPLE
+{
+    nNonOrthogonalCorrectors 0;
+    pRefCell        0;
+    pRefValue       0;
+}
+
+relaxationFactors
+{
+    rho             1;
+    p               0.7;
+    U               0.2;
+    T               0.7;
+    k               0.7;
+    epsilon         0.7;
+    R               0.7;
+}
+
+
+// ************************************************************************* //
diff --git a/tutorials/heatTransfer/buoyantPisoFoam/hotRoom/system/controlDict b/tutorials/heatTransfer/buoyantPisoFoam/hotRoom/system/controlDict
index cb2e7470f6..26a1219ee0 100644
--- a/tutorials/heatTransfer/buoyantPisoFoam/hotRoom/system/controlDict
+++ b/tutorials/heatTransfer/buoyantPisoFoam/hotRoom/system/controlDict
@@ -21,9 +21,9 @@ startTime       0;
 
 stopAt          endTime;
 
-endTime         400;
+endTime         1000;
 
-deltaT          0.25;
+deltaT          1;
 
 writeControl    timeStep;
 

From bdf6a90794a5d6ac4d8a1b34c65083be921d062c Mon Sep 17 00:00:00 2001
From: henry <Henry Weller h.weller@opencfd.co.uk>
Date: Fri, 26 Jun 2009 17:24:19 +0100
Subject: [PATCH 17/21] Removed unnecessary files.

---
 .../buoyantBoussinesqPisoFoam/hotRoom/0/mut   | 42 -------------------
 .../buoyantBoussinesqSimpleFoam/hotRoom/0/mut | 42 -------------------
 2 files changed, 84 deletions(-)
 delete mode 100644 tutorials/heatTransfer/buoyantBoussinesqPisoFoam/hotRoom/0/mut
 delete mode 100644 tutorials/heatTransfer/buoyantBoussinesqSimpleFoam/hotRoom/0/mut

diff --git a/tutorials/heatTransfer/buoyantBoussinesqPisoFoam/hotRoom/0/mut b/tutorials/heatTransfer/buoyantBoussinesqPisoFoam/hotRoom/0/mut
deleted file mode 100644
index 7c89368296..0000000000
--- a/tutorials/heatTransfer/buoyantBoussinesqPisoFoam/hotRoom/0/mut
+++ /dev/null
@@ -1,42 +0,0 @@
-/*--------------------------------*- C++ -*----------------------------------*\
-| =========                 |                                                 |
-| \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox           |
-|  \\    /   O peration     | Version:  dev                                   |
-|   \\  /    A nd           | Web:      www.OpenFOAM.org                      |
-|    \\/     M anipulation  |                                                 |
-\*---------------------------------------------------------------------------*/
-FoamFile
-{
-    version     2.0;
-    format      ascii;
-    class       volScalarField;
-    location    "0";
-    object      mut;
-}
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-
-dimensions      [1 -1 -1 0 0 0 0];
-
-internalField   uniform 0;
-
-boundaryField
-{
-    floor
-    {
-        type            mutWallFunction;
-        value           uniform 0;
-    }
-    ceiling
-    {
-        type            mutWallFunction;
-        value           uniform 0;
-    }
-    fixedWalls
-    {
-        type            mutWallFunction;
-        value           uniform 0;
-    }
-}
-
-
-// ************************************************************************* //
diff --git a/tutorials/heatTransfer/buoyantBoussinesqSimpleFoam/hotRoom/0/mut b/tutorials/heatTransfer/buoyantBoussinesqSimpleFoam/hotRoom/0/mut
deleted file mode 100644
index 7c89368296..0000000000
--- a/tutorials/heatTransfer/buoyantBoussinesqSimpleFoam/hotRoom/0/mut
+++ /dev/null
@@ -1,42 +0,0 @@
-/*--------------------------------*- C++ -*----------------------------------*\
-| =========                 |                                                 |
-| \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox           |
-|  \\    /   O peration     | Version:  dev                                   |
-|   \\  /    A nd           | Web:      www.OpenFOAM.org                      |
-|    \\/     M anipulation  |                                                 |
-\*---------------------------------------------------------------------------*/
-FoamFile
-{
-    version     2.0;
-    format      ascii;
-    class       volScalarField;
-    location    "0";
-    object      mut;
-}
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-
-dimensions      [1 -1 -1 0 0 0 0];
-
-internalField   uniform 0;
-
-boundaryField
-{
-    floor
-    {
-        type            mutWallFunction;
-        value           uniform 0;
-    }
-    ceiling
-    {
-        type            mutWallFunction;
-        value           uniform 0;
-    }
-    fixedWalls
-    {
-        type            mutWallFunction;
-        value           uniform 0;
-    }
-}
-
-
-// ************************************************************************* //

From 5989bcd14df7b5203cd0ec1dc80dc3ba283a73d1 Mon Sep 17 00:00:00 2001
From: henry <Henry Weller h.weller@opencfd.co.uk>
Date: Fri, 26 Jun 2009 17:28:25 +0100
Subject: [PATCH 18/21] Reformatted.

---
 .../buoyantSimpleRadiationFoam.C              | 29 +++++++++----------
 1 file changed, 14 insertions(+), 15 deletions(-)

diff --git a/applications/solvers/heatTransfer/buoyantSimpleRadiationFoam/buoyantSimpleRadiationFoam.C b/applications/solvers/heatTransfer/buoyantSimpleRadiationFoam/buoyantSimpleRadiationFoam.C
index 0862d20bb2..c869eff899 100644
--- a/applications/solvers/heatTransfer/buoyantSimpleRadiationFoam/buoyantSimpleRadiationFoam.C
+++ b/applications/solvers/heatTransfer/buoyantSimpleRadiationFoam/buoyantSimpleRadiationFoam.C
@@ -41,16 +41,15 @@ Description
 
 int main(int argc, char *argv[])
 {
+    #include "setRootCase.H"
+    #include "createTime.H"
+    #include "createMesh.H"
+    #include "readEnvironmentalProperties.H"
+    #include "createFields.H"
+    #include "createRadiationModel.H"
+    #include "initContinuityErrs.H"
 
-#   include "setRootCase.H"
-#   include "createTime.H"
-#   include "createMesh.H"
-#   include "readEnvironmentalProperties.H"
-#   include "createFields.H"
-#   include "createRadiationModel.H"
-#   include "initContinuityErrs.H"
-
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+    // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
     Info<< "\nStarting time loop\n" << endl;
 
@@ -58,17 +57,17 @@ int main(int argc, char *argv[])
     {
         Info<< "Time = " << runTime.timeName() << nl << endl;
 
-#       include "readSIMPLEControls.H"
-#       include "initConvergenceCheck.H"
+        #include "readSIMPLEControls.H"
+        #include "initConvergenceCheck.H"
 
         p.storePrevIter();
         rho.storePrevIter();
 
         // Pressure-velocity SIMPLE corrector
         {
-#           include "UEqn.H"
-#           include "hEqn.H"
-#           include "pEqn.H"
+            #include "UEqn.H"
+            #include "hEqn.H"
+            #include "pEqn.H"
         }
 
         turbulence->correct();
@@ -79,7 +78,7 @@ int main(int argc, char *argv[])
             << "  ClockTime = " << runTime.elapsedClockTime() << " s"
             << nl << endl;
 
-#       include "convergenceCheck.H"
+        #include "convergenceCheck.H"
     }
 
     Info<< "End\n" << endl;

From 97a7b2cac0c267355fbac9329c928cbcfcfde9c4 Mon Sep 17 00:00:00 2001
From: henry <Henry Weller h.weller@opencfd.co.uk>
Date: Sun, 28 Jun 2009 16:13:02 +0100
Subject: [PATCH 19/21] New uniform density hydrostatic pressure BC.

---
 src/finiteVolume/Make/files                   |   1 +
 ...ityHydrostaticPressureFvPatchScalarField.C | 168 +++++++++++++++
 ...ityHydrostaticPressureFvPatchScalarField.H | 204 ++++++++++++++++++
 3 files changed, 373 insertions(+)
 create mode 100644 src/finiteVolume/fields/fvPatchFields/derived/uniformDensityHydrostaticPressure/uniformDensityHydrostaticPressureFvPatchScalarField.C
 create mode 100644 src/finiteVolume/fields/fvPatchFields/derived/uniformDensityHydrostaticPressure/uniformDensityHydrostaticPressureFvPatchScalarField.H

diff --git a/src/finiteVolume/Make/files b/src/finiteVolume/Make/files
index 0524c0037b..37b59c523a 100644
--- a/src/finiteVolume/Make/files
+++ b/src/finiteVolume/Make/files
@@ -147,6 +147,7 @@ $(derivedFvPatchFields)/turbulentInlet/turbulentInletFvPatchFields.C
 $(derivedFvPatchFields)/turbulentIntensityKineticEnergyInlet/turbulentIntensityKineticEnergyInletFvPatchScalarField.C
 $(derivedFvPatchFields)/uniformFixedValue/uniformFixedValueFvPatchFields.C
 $(derivedFvPatchFields)/waveTransmissive/waveTransmissiveFvPatchFields.C
+$(derivedFvPatchFields)/uniformDensityHydrostaticPressure/uniformDensityHydrostaticPressureFvPatchScalarField.C
 
 fvsPatchFields = fields/fvsPatchFields
 $(fvsPatchFields)/fvsPatchField/fvsPatchFields.C
diff --git a/src/finiteVolume/fields/fvPatchFields/derived/uniformDensityHydrostaticPressure/uniformDensityHydrostaticPressureFvPatchScalarField.C b/src/finiteVolume/fields/fvPatchFields/derived/uniformDensityHydrostaticPressure/uniformDensityHydrostaticPressureFvPatchScalarField.C
new file mode 100644
index 0000000000..dfda8caf52
--- /dev/null
+++ b/src/finiteVolume/fields/fvPatchFields/derived/uniformDensityHydrostaticPressure/uniformDensityHydrostaticPressureFvPatchScalarField.C
@@ -0,0 +1,168 @@
+/*---------------------------------------------------------------------------*\
+  =========                 |
+  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
+   \\    /   O peration     |
+    \\  /    A nd           | Copyright (C) 1991-2009 OpenCFD Ltd.
+     \\/     M anipulation  |
+-------------------------------------------------------------------------------
+License
+    This file is part of OpenFOAM.
+
+    OpenFOAM is free software; you can redistribute it and/or modify it
+    under the terms of the GNU General Public License as published by the
+    Free Software Foundation; either version 2 of the License, or (at your
+    option) any later version.
+
+    OpenFOAM is distributed in the hope that it will be useful, but WITHOUT
+    ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+    FITNESS FOR A PARTICULAR PURPOSE.  See the GNU General Public License
+    for more details.
+
+    You should have received a copy of the GNU General Public License
+    along with OpenFOAM; if not, write to the Free Software Foundation,
+    Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
+
+\*---------------------------------------------------------------------------*/
+
+#include "uniformDensityHydrostaticPressureFvPatchScalarField.H"
+#include "addToRunTimeSelectionTable.H"
+#include "fvPatchFieldMapper.H"
+#include "volFields.H"
+#include "surfaceFields.H"
+
+
+// * * * * * * * * * * * * * * * * Constructors  * * * * * * * * * * * * * * //
+
+Foam::uniformDensityHydrostaticPressureFvPatchScalarField::
+uniformDensityHydrostaticPressureFvPatchScalarField
+(
+    const fvPatch& p,
+    const DimensionedField<scalar, volMesh>& iF
+)
+:
+    fixedValueFvPatchScalarField(p, iF),
+    rho_(0.0),
+    pRefValue_(0.0),
+    pRefPoint_(vector::zero)
+{}
+
+
+Foam::uniformDensityHydrostaticPressureFvPatchScalarField::
+uniformDensityHydrostaticPressureFvPatchScalarField
+(
+    const fvPatch& p,
+    const DimensionedField<scalar, volMesh>& iF,
+    const dictionary& dict
+)
+:
+    fixedValueFvPatchScalarField(p, iF),
+    rho_(readScalar(dict.lookup("rho"))),
+    pRefValue_(readScalar(dict.lookup("pRefValue"))),
+    pRefPoint_(dict.lookup("pRefPoint"))
+{
+    if (dict.found("value"))
+    {
+        fvPatchField<scalar>::operator=
+        (
+            scalarField("value", dict, p.size())
+        );
+    }
+    else
+    {
+        evaluate();
+    }
+}
+
+
+Foam::uniformDensityHydrostaticPressureFvPatchScalarField::
+uniformDensityHydrostaticPressureFvPatchScalarField
+(
+    const uniformDensityHydrostaticPressureFvPatchScalarField& ptf,
+    const fvPatch& p,
+    const DimensionedField<scalar, volMesh>& iF,
+    const fvPatchFieldMapper& mapper
+)
+:
+    fixedValueFvPatchScalarField(ptf, p, iF, mapper),
+    rho_(ptf.rho_),
+    pRefValue_(ptf.pRefValue_),
+    pRefPoint_(ptf.pRefPoint_)
+{}
+
+
+Foam::uniformDensityHydrostaticPressureFvPatchScalarField::
+uniformDensityHydrostaticPressureFvPatchScalarField
+(
+    const uniformDensityHydrostaticPressureFvPatchScalarField& ptf
+)
+:
+    fixedValueFvPatchScalarField(ptf),
+    rho_(ptf.rho_),
+    pRefValue_(ptf.pRefValue_),
+    pRefPoint_(ptf.pRefPoint_)
+{}
+
+
+Foam::uniformDensityHydrostaticPressureFvPatchScalarField::
+uniformDensityHydrostaticPressureFvPatchScalarField
+(
+    const uniformDensityHydrostaticPressureFvPatchScalarField& ptf,
+    const DimensionedField<scalar, volMesh>& iF
+)
+:
+    fixedValueFvPatchScalarField(ptf, iF),
+    rho_(ptf.rho_),
+    pRefValue_(ptf.pRefValue_),
+    pRefPoint_(ptf.pRefPoint_)
+{}
+
+
+// * * * * * * * * * * * * * * * Member Functions  * * * * * * * * * * * * * //
+
+void Foam::uniformDensityHydrostaticPressureFvPatchScalarField::updateCoeffs()
+{
+    if (updated())
+    {
+        return;
+    }
+
+    const dictionary& environmentalProperties
+        = db().lookupObject<IOdictionary>("environmentalProperties");
+
+    dimensionedVector g(environmentalProperties.lookup("g"));
+
+    operator==
+    (
+        pRefValue_
+      + rho_*((g.value() & patch().Cf()) - (g.value() & pRefPoint_))
+    );
+
+    fixedValueFvPatchScalarField::updateCoeffs();
+}
+
+
+void Foam::uniformDensityHydrostaticPressureFvPatchScalarField::write
+(
+    Ostream& os
+) const
+{
+    fvPatchScalarField::write(os);
+    os.writeKeyword("rho") << rho_ << token::END_STATEMENT << nl;
+    os.writeKeyword("pRefValue") << pRefValue_ << token::END_STATEMENT << nl;
+    os.writeKeyword("pRefPoint") << pRefPoint_ << token::END_STATEMENT << nl;
+    writeEntry("value", os);
+}
+
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+namespace Foam
+{
+    makePatchTypeField
+    (
+        fvPatchScalarField,
+        uniformDensityHydrostaticPressureFvPatchScalarField
+    );
+}
+
+// ************************************************************************* //
diff --git a/src/finiteVolume/fields/fvPatchFields/derived/uniformDensityHydrostaticPressure/uniformDensityHydrostaticPressureFvPatchScalarField.H b/src/finiteVolume/fields/fvPatchFields/derived/uniformDensityHydrostaticPressure/uniformDensityHydrostaticPressureFvPatchScalarField.H
new file mode 100644
index 0000000000..8b129fe3ab
--- /dev/null
+++ b/src/finiteVolume/fields/fvPatchFields/derived/uniformDensityHydrostaticPressure/uniformDensityHydrostaticPressureFvPatchScalarField.H
@@ -0,0 +1,204 @@
+/*---------------------------------------------------------------------------*\
+  =========                 |
+  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
+   \\    /   O peration     |
+    \\  /    A nd           | Copyright (C) 1991-2009 OpenCFD Ltd.
+     \\/     M anipulation  |
+-------------------------------------------------------------------------------
+License
+    This file is part of OpenFOAM.
+
+    OpenFOAM is free software; you can redistribute it and/or modify it
+    under the terms of the GNU General Public License as published by the
+    Free Software Foundation; either version 2 of the License, or (at your
+    option) any later version.
+
+    OpenFOAM is distributed in the hope that it will be useful, but WITHOUT
+    ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+    FITNESS FOR A PARTICULAR PURPOSE.  See the GNU General Public License
+    for more details.
+
+    You should have received a copy of the GNU General Public License
+    along with OpenFOAM; if not, write to the Free Software Foundation,
+    Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
+
+Class
+    Foam::uniformDensityHydrostaticPressureFvPatchScalarField
+
+Description
+    Hydrostatic pressure boundary condition calculated as
+
+    pRefValue + rho*g.(x - pRefPoint)
+
+    where rho is provided and assumed uniform.
+
+SourceFiles
+    uniformDensityHydrostaticPressureFvPatchScalarField.C
+
+\*---------------------------------------------------------------------------*/
+
+#ifndef uniformDensityHydrostaticPressureFvPatchScalarField_H
+#define uniformDensityHydrostaticPressureFvPatchScalarField_H
+
+#include "fixedValueFvPatchFields.H"
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+namespace Foam
+{
+
+/*---------------------------------------------------------------------------*\
+          Class uniformDensityHydrostaticPressureFvPatch Declaration
+\*---------------------------------------------------------------------------*/
+
+class uniformDensityHydrostaticPressureFvPatchScalarField
+:
+    public fixedValueFvPatchScalarField
+{
+    // Private data
+
+        //- Constant density in the far-field
+        scalar rho_;
+
+        //- Reference pressure
+        scalar pRefValue_;
+
+        //- Reference pressure location
+        vector pRefPoint_;
+
+
+public:
+
+    //- Runtime type information
+    TypeName("uniformDensityHydrostaticPressure");
+
+
+    // Constructors
+
+        //- Construct from patch and internal field
+        uniformDensityHydrostaticPressureFvPatchScalarField
+        (
+            const fvPatch&,
+            const DimensionedField<scalar, volMesh>&
+        );
+
+        //- Construct from patch, internal field and dictionary
+        uniformDensityHydrostaticPressureFvPatchScalarField
+        (
+            const fvPatch&,
+            const DimensionedField<scalar, volMesh>&,
+            const dictionary&
+        );
+
+        //- Construct by mapping given
+        //  uniformDensityHydrostaticPressureFvPatchScalarField onto a new patch
+        uniformDensityHydrostaticPressureFvPatchScalarField
+        (
+            const uniformDensityHydrostaticPressureFvPatchScalarField&,
+            const fvPatch&,
+            const DimensionedField<scalar, volMesh>&,
+            const fvPatchFieldMapper&
+        );
+
+        //- Construct as copy
+        uniformDensityHydrostaticPressureFvPatchScalarField
+        (
+            const uniformDensityHydrostaticPressureFvPatchScalarField&
+        );
+
+        //- Construct and return a clone
+        virtual tmp<fvPatchScalarField> clone() const
+        {
+            return tmp<fvPatchScalarField>
+            (
+                new uniformDensityHydrostaticPressureFvPatchScalarField(*this)
+            );
+        }
+
+        //- Construct as copy setting internal field reference
+        uniformDensityHydrostaticPressureFvPatchScalarField
+        (
+            const uniformDensityHydrostaticPressureFvPatchScalarField&,
+            const DimensionedField<scalar, volMesh>&
+        );
+
+        //- Construct and return a clone setting internal field reference
+        virtual tmp<fvPatchScalarField> clone
+        (
+            const DimensionedField<scalar, volMesh>& iF
+        ) const
+        {
+            return tmp<fvPatchScalarField>
+            (
+                new uniformDensityHydrostaticPressureFvPatchScalarField
+                (
+                    *this,
+                    iF
+                )
+            );
+        }
+
+
+    // Member functions
+
+        // Access
+
+            //- Return the constant density in the far-field
+            scalar rho() const
+            {
+                return rho_;
+            }
+
+            //- Return reference to the constant density in the far-field
+            //  to allow adjustment
+            scalar& rho()
+            {
+                return rho_;
+            }
+
+            //- Return the reference pressure
+            scalar pRefValue() const
+            {
+                return pRefValue_;
+            }
+
+            //- Return reference to the reference pressure to allow adjustment
+            scalar& pRefValue()
+            {
+                return pRefValue_;
+            }
+
+            //- Return the pressure reference location
+            const vector& pRefPoint() const
+            {
+                return pRefPoint_;
+            }
+
+            //- Return reference to the pressure reference location
+            //  to allow adjustment
+            vector& pRefPoint()
+            {
+                return pRefPoint_;
+            }
+
+
+        // Evaluation functions
+
+            //- Update the coefficients associated with the patch field
+            virtual void updateCoeffs();
+
+
+        //- Write
+        virtual void write(Ostream&) const;
+};
+
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+} // End namespace Foam
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+#endif
+
+// ************************************************************************* //

From 786a2621ada492d42940e57de0248a24bc72b12b Mon Sep 17 00:00:00 2001
From: graham <g.macpherson@opencfd.co.uk>
Date: Mon, 29 Jun 2009 16:34:27 +0100
Subject: [PATCH 20/21] New MD tutorials.

---
 .../LadenburgJet60psi/system/machines         |   8 -
 .../constant/polyMesh/blockMeshDict           | 163 ------------------
 .../constrictedChannel/system/fvSolution      |  46 -----
 .../constrictedChannel/system/molConfigDict   |  64 -------
 .../constrictedChannel/system/potentialDict   | 104 -----------
 .../gnemdFoam/nanoNozzle/system/fvSolution    |  46 -----
 .../gnemdFoam/nanoNozzle/system/molConfigDict |  64 -------
 .../gnemdFoam/nanoNozzle/system/potentialDict |  86 ---------
 .../mdEquilibrationFoam/Allclean              |  19 +-
 .../mdEquilibrationFoam/Allrun                |  15 +-
 .../periodicCube/system/fvSolution            |  46 -----
 .../periodicCube/system/molConfigDict         |  34 ----
 .../periodicCube/system/potentialDict         |  65 -------
 .../constant/moleculeProperties               |  36 ++++
 .../constant/polyMesh/blockMeshDict           |  23 ++-
 .../constant/polyMesh/boundary                |   4 +-
 .../system/controlDict                        |   4 +-
 .../periodicCubeArgon/system/decomposeParDict |  64 +++++++
 .../system/fvSchemes                          |  14 +-
 .../system/fvSolution}                        |   7 +-
 .../system/mdEquilibrationDict                |  19 ++
 .../periodicCubeArgon/system/mdInitialiseDict |  44 +++++
 .../periodicCubeArgon/system/potentialDict    | 121 +++++++++++++
 .../constant/moleculeProperties               |  72 ++++++++
 .../constant/polyMesh/blockMeshDict           |  73 ++++++++
 .../constant/polyMesh/boundary                |  33 ++--
 .../periodicCubeWater}/system/controlDict     |  10 +-
 .../system/decomposeParDict                   |  40 +++--
 .../periodicCubeWater}/system/fvSchemes       |  14 +-
 .../periodicCubeWater/system/fvSolution}      |   9 +-
 .../system/mdEquilibrationDict}               |  10 +-
 .../periodicCubeWater/system/mdInitialiseDict |  53 ++++++
 .../periodicCubeWater/system/potentialDict    | 118 +++++++++++++
 .../{gnemdFoam => mdFoam}/Allclean            |   8 +-
 .../{gnemdFoam => mdFoam}/Allrun              |  10 +-
 .../nanoNozzle/constant/moleculeProperties    |  45 +++++
 .../constant/polyMesh/blockMeshDict           |  62 ++-----
 .../nanoNozzle/constant/polyMesh/boundary     |  30 ++--
 .../nanoNozzle}/system/controlDict            |  10 +-
 .../mdFoam/nanoNozzle/system/decomposeParDict |  66 +++++++
 .../nanoNozzle/system/fvSchemes               |  14 +-
 .../nanoNozzle/system/fvSolution}             |   9 +-
 .../nanoNozzle/system/mdEquilibrationDict     |  19 ++
 .../mdFoam/nanoNozzle/system/mdInitialiseDict |  85 +++++++++
 .../mdFoam/nanoNozzle/system/potentialDict    | 118 +++++++++++++
 .../les/depthCharge3D/system/machines         |   1 -
 46 files changed, 1088 insertions(+), 917 deletions(-)
 delete mode 100644 tutorials/compressible/rhoCentralFoam/LadenburgJet60psi/system/machines
 delete mode 100644 tutorials/discreteMethods/molecularDynamics/gnemdFoam/constrictedChannel/constant/polyMesh/blockMeshDict
 delete mode 100644 tutorials/discreteMethods/molecularDynamics/gnemdFoam/constrictedChannel/system/fvSolution
 delete mode 100644 tutorials/discreteMethods/molecularDynamics/gnemdFoam/constrictedChannel/system/molConfigDict
 delete mode 100644 tutorials/discreteMethods/molecularDynamics/gnemdFoam/constrictedChannel/system/potentialDict
 delete mode 100644 tutorials/discreteMethods/molecularDynamics/gnemdFoam/nanoNozzle/system/fvSolution
 delete mode 100644 tutorials/discreteMethods/molecularDynamics/gnemdFoam/nanoNozzle/system/molConfigDict
 delete mode 100644 tutorials/discreteMethods/molecularDynamics/gnemdFoam/nanoNozzle/system/potentialDict
 delete mode 100644 tutorials/discreteMethods/molecularDynamics/mdEquilibrationFoam/periodicCube/system/fvSolution
 delete mode 100644 tutorials/discreteMethods/molecularDynamics/mdEquilibrationFoam/periodicCube/system/molConfigDict
 delete mode 100644 tutorials/discreteMethods/molecularDynamics/mdEquilibrationFoam/periodicCube/system/potentialDict
 create mode 100644 tutorials/discreteMethods/molecularDynamics/mdEquilibrationFoam/periodicCubeArgon/constant/moleculeProperties
 rename tutorials/discreteMethods/molecularDynamics/mdEquilibrationFoam/{periodicCube => periodicCubeArgon}/constant/polyMesh/blockMeshDict (71%)
 rename tutorials/discreteMethods/molecularDynamics/mdEquilibrationFoam/{periodicCube => periodicCubeArgon}/constant/polyMesh/boundary (90%)
 rename tutorials/discreteMethods/molecularDynamics/mdEquilibrationFoam/{periodicCube => periodicCubeArgon}/system/controlDict (92%)
 create mode 100644 tutorials/discreteMethods/molecularDynamics/mdEquilibrationFoam/periodicCubeArgon/system/decomposeParDict
 rename tutorials/discreteMethods/molecularDynamics/mdEquilibrationFoam/{periodicCube => periodicCubeArgon}/system/fvSchemes (76%)
 rename tutorials/discreteMethods/molecularDynamics/mdEquilibrationFoam/{periodicCube/system/mdEquilibrationDict => periodicCubeArgon/system/fvSolution} (91%)
 create mode 100644 tutorials/discreteMethods/molecularDynamics/mdEquilibrationFoam/periodicCubeArgon/system/mdEquilibrationDict
 create mode 100644 tutorials/discreteMethods/molecularDynamics/mdEquilibrationFoam/periodicCubeArgon/system/mdInitialiseDict
 create mode 100644 tutorials/discreteMethods/molecularDynamics/mdEquilibrationFoam/periodicCubeArgon/system/potentialDict
 create mode 100644 tutorials/discreteMethods/molecularDynamics/mdEquilibrationFoam/periodicCubeWater/constant/moleculeProperties
 create mode 100644 tutorials/discreteMethods/molecularDynamics/mdEquilibrationFoam/periodicCubeWater/constant/polyMesh/blockMeshDict
 rename tutorials/discreteMethods/molecularDynamics/{gnemdFoam/constrictedChannel => mdEquilibrationFoam/periodicCubeWater}/constant/polyMesh/boundary (67%)
 rename tutorials/discreteMethods/molecularDynamics/{gnemdFoam/nanoNozzle => mdEquilibrationFoam/periodicCubeWater}/system/controlDict (86%)
 rename tutorials/discreteMethods/molecularDynamics/{gnemdFoam/nanoNozzle => mdEquilibrationFoam/periodicCubeWater}/system/decomposeParDict (57%)
 rename tutorials/discreteMethods/molecularDynamics/{gnemdFoam/constrictedChannel => mdEquilibrationFoam/periodicCubeWater}/system/fvSchemes (76%)
 rename tutorials/discreteMethods/molecularDynamics/{gnemdFoam/constrictedChannel/system/mdSolution => mdEquilibrationFoam/periodicCubeWater/system/fvSolution} (89%)
 rename tutorials/discreteMethods/molecularDynamics/{gnemdFoam/nanoNozzle/system/mdSolution => mdEquilibrationFoam/periodicCubeWater/system/mdEquilibrationDict} (79%)
 create mode 100644 tutorials/discreteMethods/molecularDynamics/mdEquilibrationFoam/periodicCubeWater/system/mdInitialiseDict
 create mode 100644 tutorials/discreteMethods/molecularDynamics/mdEquilibrationFoam/periodicCubeWater/system/potentialDict
 rename tutorials/discreteMethods/molecularDynamics/{gnemdFoam => mdFoam}/Allclean (57%)
 rename tutorials/discreteMethods/molecularDynamics/{gnemdFoam => mdFoam}/Allrun (60%)
 create mode 100644 tutorials/discreteMethods/molecularDynamics/mdFoam/nanoNozzle/constant/moleculeProperties
 rename tutorials/discreteMethods/molecularDynamics/{gnemdFoam => mdFoam}/nanoNozzle/constant/polyMesh/blockMeshDict (65%)
 rename tutorials/discreteMethods/molecularDynamics/{gnemdFoam => mdFoam}/nanoNozzle/constant/polyMesh/boundary (66%)
 rename tutorials/discreteMethods/molecularDynamics/{gnemdFoam/constrictedChannel => mdFoam/nanoNozzle}/system/controlDict (86%)
 create mode 100644 tutorials/discreteMethods/molecularDynamics/mdFoam/nanoNozzle/system/decomposeParDict
 rename tutorials/discreteMethods/molecularDynamics/{gnemdFoam => mdFoam}/nanoNozzle/system/fvSchemes (76%)
 rename tutorials/discreteMethods/molecularDynamics/{mdEquilibrationFoam/periodicCube/system/mdSolution => mdFoam/nanoNozzle/system/fvSolution} (89%)
 create mode 100644 tutorials/discreteMethods/molecularDynamics/mdFoam/nanoNozzle/system/mdEquilibrationDict
 create mode 100644 tutorials/discreteMethods/molecularDynamics/mdFoam/nanoNozzle/system/mdInitialiseDict
 create mode 100644 tutorials/discreteMethods/molecularDynamics/mdFoam/nanoNozzle/system/potentialDict
 delete mode 100644 tutorials/multiphase/compressibleInterFoam/les/depthCharge3D/system/machines

diff --git a/tutorials/compressible/rhoCentralFoam/LadenburgJet60psi/system/machines b/tutorials/compressible/rhoCentralFoam/LadenburgJet60psi/system/machines
deleted file mode 100644
index c1ebafec01..0000000000
--- a/tutorials/compressible/rhoCentralFoam/LadenburgJet60psi/system/machines
+++ /dev/null
@@ -1,8 +0,0 @@
-borg1
-borg2
-borg3
-borg4
-borg5
-borg6
-borg7
-borg8
diff --git a/tutorials/discreteMethods/molecularDynamics/gnemdFoam/constrictedChannel/constant/polyMesh/blockMeshDict b/tutorials/discreteMethods/molecularDynamics/gnemdFoam/constrictedChannel/constant/polyMesh/blockMeshDict
deleted file mode 100644
index ee03c90402..0000000000
--- a/tutorials/discreteMethods/molecularDynamics/gnemdFoam/constrictedChannel/constant/polyMesh/blockMeshDict
+++ /dev/null
@@ -1,163 +0,0 @@
-/*--------------------------------*- C++ -*----------------------------------*\
-| =========                 |                                                 |
-| \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox           |
-|  \\    /   O peration     | Version:  1.5                                   |
-|   \\  /    A nd           | Web:      http://www.OpenFOAM.org               |
-|    \\/     M anipulation  |                                                 |
-\*---------------------------------------------------------------------------*/
-FoamFile
-{
-    version     2.0;
-    format      ascii;
-    class       dictionary;
-    object      blockMeshDict;
-}
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-
-convertToMeters 0.25e-9;
-
-vertices        
-(
-	(0 0 0) //0
-	(15 0 0)
-	(15 3 0)
-	(0 3 0)
-	(0 0 12)
-	(15 0 12)
-	(15 3 12)
-	(0 3 12) //7
-	(22 0 0)
-	(22 3 0)
-	(22 0 12)
-	(22 3 12) //11
-	(31 0 0)
-	(31 3 0)
-	(31 0 12)
-	(31 3 12) //15
-	(20 9 0)
-	(17 9 0)
-	(20 9 12)
-	(17 9 12) //19
-	(0 9 0)
-	(0 9 12) //21
-	(31 9 0)
-	(31 9 12) //23
-	(17 18 0)
-	(0 18 0)
-	(17 18 12)
-	(0 18 12) //27
-	(31 18 0)
-	(20 18 0)
-	(31 18 12)
-	(20 18 12) //31
-	(17 21 0)
-	(0 21 0)
-	(17 21 12)
-	(0 21 12) //35
-	(31 21 0)
-	(20 21 0)
-	(31 21 12)
-	(20 21 12) //39
-	(17 25 0)
-	(0 25 0)
-	(17 25 12)
-	(0 25 12) // 43
-	(31 25 0)
-	(20 25 0)
-	(31 25 12)
-	(20 25 12) // 47
-);
-
-blocks          
-(
- hex (0 1 2 3 4 5 6 7) bottomWall (15 3 6) simpleGrading (1 1 1) //1
- hex (1 8 9 2 5 10 11 6) bottomWall (3 3 6) simpleGrading (1 1 1) //2
- hex (2 9 16 17 6 11 18 19) bottomWall (3 6 6) simpleGrading (1 1 1) //3
- hex (8 12 13 9 10 14 15 11) bottomWall (9 3 6) simpleGrading (1 1 1) //4
- hex (3 2 17 20 7 6 19 21) liquid (15 6 6) simpleGrading (1 1 1) //5
- hex (20 17 24 25 21 19 26 27) liquid (15 9 6) simpleGrading (1 1 1) //6
- hex (25 24 32 33 27 26 34 35) liquid (15 3 6) simpleGrading (1 1 1) //6A
- hex (17 16 29 24 19 18 31 26) liquid (3 9 6) simpleGrading (1 1 1) //7
- hex (16 22 28 29 18 23 30 31) liquid (9 9 6) simpleGrading (1 1 1) //8
- hex (29 28 36 37 31 30 38 39) liquid (9 3 6) simpleGrading (1 1 1) //8A
- hex (9 13 22 16 11 15 23 18) liquid (9 6 6) simpleGrading (1 1 1) //9
- hex (33 32 40 41 35 34 42 43) topWall (15 3 6) simpleGrading (1 1 1) //10
- hex (32 37 45 40 34 39 47 42) topWall (3 3 6) simpleGrading (1 1 1) //11
- hex (24 29 37 32 26 31 39 34) topWall (3 3 6) simpleGrading (1 1 1) //12
- hex (37 36 44 45 39 38 46 47) topWall (9 3 6) simpleGrading (1 1 1) //13
-);
-
-patches         
-(
-	cyclic
-	periodicX
-	(
-		(0 4 7 3)
-		(3 7 21 20)
-		(20 21 27 25)
-		(25 27 35 33)
-		(33 35 43 41)
-		(12 13 15 14)
-		(13 22 23 15)
-		(22 28 30 23)
-		(28 36 38 30)
-		(36 44 46 38)
-	)
-
-	cyclic
-	periodicZ
-	(
-		(0 3 2 1)
-		(1 2 9 8)
-		(8 9 13 12)
-		(2 17 16 9)
-		(2 3 20 17)
-		(9 16 22 13)
-		(17 20 25 24)
-		(16 29 28 22)
-		(16 17 24 29)
-		(24 25 33 32)
-		(28 29 37 36)
-		(32 33 41 40)
-		(36 37 45 44)
-		(32 40 45 37)
-		(24 32 37 29)
-		(4 5 6 7)
-		(5 10 11 6)
-		(10 14 15 11)
-		(6 11 18 19)
-		(7 6 19 21)
-		(11 15 23 18)
-		(19 26 27 21)
-		(18 23 30 31)
-		(18 31 26 19)
-		(26 34 35 27)
-		(30 38 39 31)
-		(34 42 43 35)
-		(38 46 47 39)
-		(34 39 47 42)
-		(26 31 39 34)
-	)
-
-	wall
-	outerBoundaryBottom
-	(
-		(0 1 5 4)
-		(1 8 10 5)
-		(8 12 14 10)
-	)
-	
-	wall
-	outerBoundaryTop
-	(
-		(40 41 43 42)
-		(44 45 47 46)
-		(40 42 47 45)
-	)
-);
-
-mergePatchPairs 
-(
-);
-
-// ************************************************************************* //
diff --git a/tutorials/discreteMethods/molecularDynamics/gnemdFoam/constrictedChannel/system/fvSolution b/tutorials/discreteMethods/molecularDynamics/gnemdFoam/constrictedChannel/system/fvSolution
deleted file mode 100644
index 4667034336..0000000000
--- a/tutorials/discreteMethods/molecularDynamics/gnemdFoam/constrictedChannel/system/fvSolution
+++ /dev/null
@@ -1,46 +0,0 @@
-/*--------------------------------*- C++ -*----------------------------------*\
-| =========                 |                                                 |
-| \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox           |
-|  \\    /   O peration     | Version:  1.5                                   |
-|   \\  /    A nd           | Web:      www.OpenFOAM.org                      |
-|    \\/     M anipulation  |                                                 |
-\*---------------------------------------------------------------------------*/
-FoamFile
-{
-    version     2.0;
-    format      ascii;
-    class       dictionary;
-    location    "system";
-    object      fvSolution;
-}
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-
-solvers
-{
-    p
-    {
-        solver          PCG;
-        preconditioner  DIC;
-        tolerance       1e-06;
-        relTol          0;
-    }
-
-    U
-    {
-        solver          PBiCG;
-        preconditioner  DILU;
-        tolerance       1e-05;
-        relTol          0;
-    }
-}
-
-PISO
-{
-    nCorrectors     2;
-    nNonOrthogonalCorrectors 0;
-    pRefCell        0;
-    pRefValue       0;
-}
-
-
-// ************************************************************************* //
diff --git a/tutorials/discreteMethods/molecularDynamics/gnemdFoam/constrictedChannel/system/molConfigDict b/tutorials/discreteMethods/molecularDynamics/gnemdFoam/constrictedChannel/system/molConfigDict
deleted file mode 100644
index 6bd9f1538e..0000000000
--- a/tutorials/discreteMethods/molecularDynamics/gnemdFoam/constrictedChannel/system/molConfigDict
+++ /dev/null
@@ -1,64 +0,0 @@
-/*--------------------------------*- C++ -*----------------------------------*\
-| =========                 |                                                 |
-| \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox           |
-|  \\    /   O peration     | Version:  1.5                                   |
-|   \\  /    A nd           | Web:      www.OpenFOAM.org                      |
-|    \\/     M anipulation  |                                                 |
-\*---------------------------------------------------------------------------*/
-FoamFile
-{
-    version     2.0;
-    format      ascii;
-    class       dictionary;
-    location    "system";
-    object      molConfigDict;
-}
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-
-bottomWall
-{
-    massDensity     1220;
-    temperature     300;
-    velocityDistribution maxwellian;
-    bulkVelocity    ( 0 0 0 );
-    id              Ar;
-    mass            6.63352033e-26;
-    latticeStructure FCC;
-    anchor          ( 1.05e-09 3.18e-09 2.87e-09 );
-    anchorSpecifies molecule;
-    tethered        yes;
-    orientationAngles ( 30 0 0 );
-}
-
-liquid
-{
-    massDensity     1100;
-    temperature     250;
-    velocityDistribution maxwellian;
-    bulkVelocity    ( 245 0 0 );
-    id              Ne;
-    mass            3.350996347e-26;
-    latticeStructure SC;
-    anchor          ( 1.05e-09 3.18e-09 2.87e-09 );
-    anchorSpecifies molecule;
-    tethered        no;
-    orientationAngles ( 45 0 0 );
-}
-
-topWall
-{
-    massDensity     1220;
-    temperature     200;
-    velocityDistribution maxwellian;
-    bulkVelocity    ( 0 0 0 );
-    id              Ar;
-    mass            6.63352033e-26;
-    latticeStructure BCC;
-    anchor          ( 1.05e-09 3.18e-09 2.87e-09 );
-    anchorSpecifies corner;
-    tethered        yes;
-    orientationAngles ( 0 0 0 );
-}
-
-
-// ************************************************************************* //
diff --git a/tutorials/discreteMethods/molecularDynamics/gnemdFoam/constrictedChannel/system/potentialDict b/tutorials/discreteMethods/molecularDynamics/gnemdFoam/constrictedChannel/system/potentialDict
deleted file mode 100644
index 56a7bbee71..0000000000
--- a/tutorials/discreteMethods/molecularDynamics/gnemdFoam/constrictedChannel/system/potentialDict
+++ /dev/null
@@ -1,104 +0,0 @@
-/*--------------------------------*- C++ -*----------------------------------*\
-| =========                 |                                                 |
-| \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox           |
-|  \\    /   O peration     | Version:  1.5                                   |
-|   \\  /    A nd           | Web:      www.OpenFOAM.org                      |
-|    \\/     M anipulation  |                                                 |
-\*---------------------------------------------------------------------------*/
-FoamFile
-{
-    version     2.0;
-    format      ascii;
-    class       dictionary;
-    location    "system";
-    object      potentialDict;
-}
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-
-removalOrder    2 ( Ne Ar );
-
-pair
-{
-    Ar-Ar
-    {
-        pairPotential   maitlandSmith;
-        rCut            1e-09;
-        rMin            1.5e-10;
-        dr              5e-14;
-        maitlandSmithCoeffs
-        {
-            m               13;
-            gamma           7.5;
-            rm              3.756e-10;
-            epsilon         1.990108438e-21;
-        }
-
-        energyScalingFunction doubleSigmoid;
-        doubleSigmoidCoeffs
-        {
-            shift1          9e-10;
-            scale1          -64771072;
-            shift2          9.7e-10;
-            scale2          -259084288;
-        }
-
-        writeTables     yes;
-    }
-
-    Ar-Ne
-    {
-        pairPotential   maitlandSmith;
-        rCut            9e-10;
-        rMin            1e-10;
-        dr              5e-14;
-        maitlandSmithCoeffs
-        {
-            m               13;
-            gamma           4;
-            rm              3.48e-10;
-            epsilon         8.765026657e-22;
-        }
-
-        energyScalingFunction shiftedForce;
-        writeTables     yes;
-    }
-
-    Ne-Ne
-    {
-        pairPotential   maitlandSmith;
-        rCut            8e-10;
-        rMin            1e-10;
-        dr              5e-14;
-        maitlandSmithCoeffs
-        {
-            m               13;
-            gamma           5;
-            rm              3.0739e-10;
-            epsilon         5.813260729e-22;
-        }
-
-        energyScalingFunction shiftedForce;
-        writeTables     yes;
-    }
-}
-
-tether
-{
-    Ar
-    {
-        tetherPotential restrainedHarmonicSpring;
-        restrainedHarmonicSpringCoeffs
-        {
-            springConstant  0.1;
-            rR              1.2e-09;
-        }
-    }
-}
-
-external
-{
-    gravity         ( 0 0 0 );
-}
-
-
-// ************************************************************************* //
diff --git a/tutorials/discreteMethods/molecularDynamics/gnemdFoam/nanoNozzle/system/fvSolution b/tutorials/discreteMethods/molecularDynamics/gnemdFoam/nanoNozzle/system/fvSolution
deleted file mode 100644
index 4667034336..0000000000
--- a/tutorials/discreteMethods/molecularDynamics/gnemdFoam/nanoNozzle/system/fvSolution
+++ /dev/null
@@ -1,46 +0,0 @@
-/*--------------------------------*- C++ -*----------------------------------*\
-| =========                 |                                                 |
-| \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox           |
-|  \\    /   O peration     | Version:  1.5                                   |
-|   \\  /    A nd           | Web:      www.OpenFOAM.org                      |
-|    \\/     M anipulation  |                                                 |
-\*---------------------------------------------------------------------------*/
-FoamFile
-{
-    version     2.0;
-    format      ascii;
-    class       dictionary;
-    location    "system";
-    object      fvSolution;
-}
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-
-solvers
-{
-    p
-    {
-        solver          PCG;
-        preconditioner  DIC;
-        tolerance       1e-06;
-        relTol          0;
-    }
-
-    U
-    {
-        solver          PBiCG;
-        preconditioner  DILU;
-        tolerance       1e-05;
-        relTol          0;
-    }
-}
-
-PISO
-{
-    nCorrectors     2;
-    nNonOrthogonalCorrectors 0;
-    pRefCell        0;
-    pRefValue       0;
-}
-
-
-// ************************************************************************* //
diff --git a/tutorials/discreteMethods/molecularDynamics/gnemdFoam/nanoNozzle/system/molConfigDict b/tutorials/discreteMethods/molecularDynamics/gnemdFoam/nanoNozzle/system/molConfigDict
deleted file mode 100644
index 937130f4ac..0000000000
--- a/tutorials/discreteMethods/molecularDynamics/gnemdFoam/nanoNozzle/system/molConfigDict
+++ /dev/null
@@ -1,64 +0,0 @@
-/*--------------------------------*- C++ -*----------------------------------*\
-| =========                 |                                                 |
-| \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox           |
-|  \\    /   O peration     | Version:  1.5                                   |
-|   \\  /    A nd           | Web:      www.OpenFOAM.org                      |
-|    \\/     M anipulation  |                                                 |
-\*---------------------------------------------------------------------------*/
-FoamFile
-{
-    version     2.0;
-    format      ascii;
-    class       dictionary;
-    location    "system";
-    object      molConfigDict;
-}
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-
-sectionA
-{
-    massDensity     1220;
-    temperature     300;
-    velocityDistribution maxwellian;
-    bulkVelocity    ( -250 0 0 );
-    id              Ar;
-    mass            6.63352033e-26;
-    latticeStructure SC;
-    anchor          ( 0 0 0 );
-    anchorSpecifies molecule;
-    tethered        no;
-    orientationAngles ( 0 0 0 );
-}
-
-sectionB
-{
-    massDensity     1220;
-    temperature     300;
-    velocityDistribution maxwellian;
-    bulkVelocity    ( -250 0 0 );
-    id              Ne;
-    mass            3.350917e-26;
-    latticeStructure SC;
-    anchor          ( 0 0 0 );
-    anchorSpecifies molecule;
-    tethered        no;
-    orientationAngles ( 0 0 0 );
-}
-
-sectionC
-{
-    massDensity     1220;
-    temperature     300;
-    velocityDistribution maxwellian;
-    bulkVelocity    ( -250 0 0 );
-    id              Ar;
-    mass            6.63352033e-26;
-    latticeStructure SC;
-    anchor          ( 0 0 0 );
-    anchorSpecifies molecule;
-    tethered        no;
-    orientationAngles ( 0 0 0 );
-}
-
-
-// ************************************************************************* //
diff --git a/tutorials/discreteMethods/molecularDynamics/gnemdFoam/nanoNozzle/system/potentialDict b/tutorials/discreteMethods/molecularDynamics/gnemdFoam/nanoNozzle/system/potentialDict
deleted file mode 100644
index 0386a6994e..0000000000
--- a/tutorials/discreteMethods/molecularDynamics/gnemdFoam/nanoNozzle/system/potentialDict
+++ /dev/null
@@ -1,86 +0,0 @@
-/*--------------------------------*- C++ -*----------------------------------*\
-| =========                 |                                                 |
-| \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox           |
-|  \\    /   O peration     | Version:  1.5                                   |
-|   \\  /    A nd           | Web:      www.OpenFOAM.org                      |
-|    \\/     M anipulation  |                                                 |
-\*---------------------------------------------------------------------------*/
-FoamFile
-{
-    version     2.0;
-    format      ascii;
-    class       dictionary;
-    location    "system";
-    object      potentialDict;
-}
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-
-removalOrder    1 ( Ar );
-
-pair
-{
-    Ar-Ar
-    {
-        pairPotential   maitlandSmith;
-        rCut            1e-09;
-        rMin            1.5e-10;
-        dr              5e-14;
-        maitlandSmithCoeffs
-        {
-            m               13;
-            gamma           7.5;
-            rm              3.756e-10;
-            epsilon         1.990108438e-21;
-        }
-
-        energyScalingFunction doubleSigmoid;
-        doubleSigmoidCoeffs
-        {
-            shift1          9e-10;
-            scale1          -64771072;
-            shift2          9.7e-10;
-            scale2          -259084288;
-        }
-
-        writeTables     no;
-    }
-
-    Ar-Ne
-    {
-        pairPotential   maitlandSmith;
-        rCut            9e-10;
-        rMin            1e-10;
-        dr              5e-14;
-        maitlandSmithCoeffs
-        {
-            m               13;
-            gamma           4;
-            rm              3.48e-10;
-            epsilon         8.765026657e-22;
-        }
-
-        energyScalingFunction shiftedForce;
-        writeTables     no;
-    }
-
-    Ne-Ne
-    {
-        pairPotential   maitlandSmith;
-        rCut            8e-10;
-        rMin            1e-10;
-        dr              5e-14;
-        maitlandSmithCoeffs
-        {
-            m               13;
-            gamma           5;
-            rm              3.0739e-10;
-            epsilon         5.813260729e-22;
-        }
-
-        energyScalingFunction shiftedForce;
-        writeTables     no;
-    }
-}
-
-
-// ************************************************************************* //
diff --git a/tutorials/discreteMethods/molecularDynamics/mdEquilibrationFoam/Allclean b/tutorials/discreteMethods/molecularDynamics/mdEquilibrationFoam/Allclean
index 00dd874d76..d8245cb12b 100755
--- a/tutorials/discreteMethods/molecularDynamics/mdEquilibrationFoam/Allclean
+++ b/tutorials/discreteMethods/molecularDynamics/mdEquilibrationFoam/Allclean
@@ -3,9 +3,20 @@
 # Source tutorial clean functions
 . $WM_PROJECT_DIR/bin/tools/CleanFunctions
 
-cd periodicCube
-    rm -rf 0
-    rm -rf Ar-Ar
-    rm -rf constant/idList
+cd periodicCubeArgon
+    rm -rf 0/*
+    rm -f Ar-Ar
+    rm -f electrostatic
+    rm -f constant/idList
+    rm -rf constant/polyMesh/sets
+    cleanCase
+cd ..
+
+cd periodicCubeWater
+    rm -rf 0/*
+    rm -f O-O
+    rm -f electrostatic
+    rm -f constant/idList
+    rm -rf constant/polyMesh/sets
     cleanCase
 cd ..
diff --git a/tutorials/discreteMethods/molecularDynamics/mdEquilibrationFoam/Allrun b/tutorials/discreteMethods/molecularDynamics/mdEquilibrationFoam/Allrun
index 0c590da09a..0d8c6de9d1 100755
--- a/tutorials/discreteMethods/molecularDynamics/mdEquilibrationFoam/Allrun
+++ b/tutorials/discreteMethods/molecularDynamics/mdEquilibrationFoam/Allrun
@@ -5,9 +5,14 @@
 
 application="mdEquilibrationFoam"
 
-cd periodicCube
-    runApplication blockMesh
-    runApplication molConfig
-    runApplication $application
-cd ..
+# cd periodicCubeArgon
+#     runApplication blockMesh
+#     runApplication mdInitialise
+#     runApplication $application
+# cd ..
 
+cd periodicCubeWater
+    runApplication blockMesh
+    runApplication mdInitialise
+    runApplication $application
+cd ..
\ No newline at end of file
diff --git a/tutorials/discreteMethods/molecularDynamics/mdEquilibrationFoam/periodicCube/system/fvSolution b/tutorials/discreteMethods/molecularDynamics/mdEquilibrationFoam/periodicCube/system/fvSolution
deleted file mode 100644
index 4667034336..0000000000
--- a/tutorials/discreteMethods/molecularDynamics/mdEquilibrationFoam/periodicCube/system/fvSolution
+++ /dev/null
@@ -1,46 +0,0 @@
-/*--------------------------------*- C++ -*----------------------------------*\
-| =========                 |                                                 |
-| \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox           |
-|  \\    /   O peration     | Version:  1.5                                   |
-|   \\  /    A nd           | Web:      www.OpenFOAM.org                      |
-|    \\/     M anipulation  |                                                 |
-\*---------------------------------------------------------------------------*/
-FoamFile
-{
-    version     2.0;
-    format      ascii;
-    class       dictionary;
-    location    "system";
-    object      fvSolution;
-}
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-
-solvers
-{
-    p
-    {
-        solver          PCG;
-        preconditioner  DIC;
-        tolerance       1e-06;
-        relTol          0;
-    }
-
-    U
-    {
-        solver          PBiCG;
-        preconditioner  DILU;
-        tolerance       1e-05;
-        relTol          0;
-    }
-}
-
-PISO
-{
-    nCorrectors     2;
-    nNonOrthogonalCorrectors 0;
-    pRefCell        0;
-    pRefValue       0;
-}
-
-
-// ************************************************************************* //
diff --git a/tutorials/discreteMethods/molecularDynamics/mdEquilibrationFoam/periodicCube/system/molConfigDict b/tutorials/discreteMethods/molecularDynamics/mdEquilibrationFoam/periodicCube/system/molConfigDict
deleted file mode 100644
index 6f48e375e8..0000000000
--- a/tutorials/discreteMethods/molecularDynamics/mdEquilibrationFoam/periodicCube/system/molConfigDict
+++ /dev/null
@@ -1,34 +0,0 @@
-/*--------------------------------*- C++ -*----------------------------------*\
-| =========                 |                                                 |
-| \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox           |
-|  \\    /   O peration     | Version:  1.5                                   |
-|   \\  /    A nd           | Web:      www.OpenFOAM.org                      |
-|    \\/     M anipulation  |                                                 |
-\*---------------------------------------------------------------------------*/
-FoamFile
-{
-    version     2.0;
-    format      ascii;
-    class       dictionary;
-    location    "system";
-    object      molConfigDict;
-}
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-
-liquid
-{
-    massDensity     1220;
-    temperature     300;
-    velocityDistribution maxwellian;
-    bulkVelocity    ( 0 0 0 );
-    id              Ar;
-    mass            6.63352033e-26;
-    latticeStructure SC;
-    anchor          ( 0 0 0 );
-    anchorSpecifies molecule;
-    tethered        no;
-    orientationAngles ( 0 0 0 );
-}
-
-
-// ************************************************************************* //
diff --git a/tutorials/discreteMethods/molecularDynamics/mdEquilibrationFoam/periodicCube/system/potentialDict b/tutorials/discreteMethods/molecularDynamics/mdEquilibrationFoam/periodicCube/system/potentialDict
deleted file mode 100644
index 1abf7b0e56..0000000000
--- a/tutorials/discreteMethods/molecularDynamics/mdEquilibrationFoam/periodicCube/system/potentialDict
+++ /dev/null
@@ -1,65 +0,0 @@
-/*--------------------------------*- C++ -*----------------------------------*\
-| =========                 |                                                 |
-| \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox           |
-|  \\    /   O peration     | Version:  1.5                                   |
-|   \\  /    A nd           | Web:      www.OpenFOAM.org                      |
-|    \\/     M anipulation  |                                                 |
-\*---------------------------------------------------------------------------*/
-FoamFile
-{
-    version     2.0;
-    format      ascii;
-    class       dictionary;
-    location    "system";
-    object      potentialDict;
-}
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-
-removalOrder    1 ( Ar );
-
-pair
-{
-    Ar-Ar
-    {
-        pairPotential   azizChen;
-        rCut            1.2e-09;
-        rMin            1.5e-10;
-        dr              2e-14;
-        azizChenCoeffs
-        {
-            epsilon         1.97742255e-21;
-            rm              3.759e-10;
-            A               9502720;
-            alpha           16.345655;
-            C6              1.0914254;
-            C8              0.6002595;
-            C10             0.3700113;
-            D               1.4;
-            gamma           2;
-        }
-
-        energyScalingFunction noScaling;
-        writeTables     yes;
-    }
-}
-
-tether
-{
-    Ar
-    {
-        tetherPotential restrainedHarmonicSpring;
-        restrainedHarmonicSpringCoeffs
-        {
-            springConstant  0.0277;
-            rR              1.2e-09;
-        }
-    }
-}
-
-external
-{
-    gravity         ( 0 0 0 );
-}
-
-
-// ************************************************************************* //
diff --git a/tutorials/discreteMethods/molecularDynamics/mdEquilibrationFoam/periodicCubeArgon/constant/moleculeProperties b/tutorials/discreteMethods/molecularDynamics/mdEquilibrationFoam/periodicCubeArgon/constant/moleculeProperties
new file mode 100644
index 0000000000..567fce489c
--- /dev/null
+++ b/tutorials/discreteMethods/molecularDynamics/mdEquilibrationFoam/periodicCubeArgon/constant/moleculeProperties
@@ -0,0 +1,36 @@
+/*--------------------------------*- C++ -*----------------------------------*\
+| =========                 |                                                 |
+| \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox           |
+|  \\    /   O peration     | Version:  dev                                   |
+|   \\  /    A nd           | Web:      http://www.OpenFOAM.org               |
+|    \\/     M anipulation  |                                                 |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+    version     2.0;
+    format      ascii;
+    class       dictionary;
+    location    "constant";
+    object      moleculeProperties;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+Ar
+{
+    siteIds                     (Ar);
+    pairPotentialSiteIds        (Ar);
+    siteReferencePositions
+    (
+        (0 0 0)
+    );
+    siteMasses
+    (
+        6.63352033e-26
+    );
+    siteCharges
+    (
+        0
+    );
+}
+
+// ************************************************************************* //
diff --git a/tutorials/discreteMethods/molecularDynamics/mdEquilibrationFoam/periodicCube/constant/polyMesh/blockMeshDict b/tutorials/discreteMethods/molecularDynamics/mdEquilibrationFoam/periodicCubeArgon/constant/polyMesh/blockMeshDict
similarity index 71%
rename from tutorials/discreteMethods/molecularDynamics/mdEquilibrationFoam/periodicCube/constant/polyMesh/blockMeshDict
rename to tutorials/discreteMethods/molecularDynamics/mdEquilibrationFoam/periodicCubeArgon/constant/polyMesh/blockMeshDict
index 187c2c7784..23a2ee9874 100644
--- a/tutorials/discreteMethods/molecularDynamics/mdEquilibrationFoam/periodicCube/constant/polyMesh/blockMeshDict
+++ b/tutorials/discreteMethods/molecularDynamics/mdEquilibrationFoam/periodicCubeArgon/constant/polyMesh/blockMeshDict
@@ -1,17 +1,25 @@
-/*--------------------------------*- C++ -*----------------------------------*\
+/*---------------------------------------------------------------------------*\
 | =========                 |                                                 |
 | \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox           |
-|  \\    /   O peration     | Version:  1.5                                   |
-|   \\  /    A nd           | Web:      http://www.OpenFOAM.org               |
+|  \\    /   O peration     | Version:  1.3                                   |
+|   \\  /    A nd           | Web:      http://www.openfoam.org               |
 |    \\/     M anipulation  |                                                 |
 \*---------------------------------------------------------------------------*/
+
 FoamFile
 {
-    version     2.0;
-    format      ascii;
-    class       dictionary;
-    object      blockMeshDict;
+    version         2.0;
+    format          ascii;
+
+    root            "";
+    case            "";
+    instance        "";
+    local           "";
+
+    class           dictionary;
+    object          blockMeshDict;
 }
+
 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
 convertToMeters 2.462491658e-9;
@@ -61,4 +69,5 @@ mergePatchPairs
 (
 );
 
+
 // ************************************************************************* //
diff --git a/tutorials/discreteMethods/molecularDynamics/mdEquilibrationFoam/periodicCube/constant/polyMesh/boundary b/tutorials/discreteMethods/molecularDynamics/mdEquilibrationFoam/periodicCubeArgon/constant/polyMesh/boundary
similarity index 90%
rename from tutorials/discreteMethods/molecularDynamics/mdEquilibrationFoam/periodicCube/constant/polyMesh/boundary
rename to tutorials/discreteMethods/molecularDynamics/mdEquilibrationFoam/periodicCubeArgon/constant/polyMesh/boundary
index b3548de91c..850c9baa1e 100644
--- a/tutorials/discreteMethods/molecularDynamics/mdEquilibrationFoam/periodicCube/constant/polyMesh/boundary
+++ b/tutorials/discreteMethods/molecularDynamics/mdEquilibrationFoam/periodicCubeArgon/constant/polyMesh/boundary
@@ -1,8 +1,8 @@
 /*--------------------------------*- C++ -*----------------------------------*\
 | =========                 |                                                 |
 | \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox           |
-|  \\    /   O peration     | Version:  1.5                                   |
-|   \\  /    A nd           | Web:      http://www.OpenFOAM.org               |
+|  \\    /   O peration     | Version:  dev                                   |
+|   \\  /    A nd           | Web:      www.OpenFOAM.org                      |
 |    \\/     M anipulation  |                                                 |
 \*---------------------------------------------------------------------------*/
 FoamFile
diff --git a/tutorials/discreteMethods/molecularDynamics/mdEquilibrationFoam/periodicCube/system/controlDict b/tutorials/discreteMethods/molecularDynamics/mdEquilibrationFoam/periodicCubeArgon/system/controlDict
similarity index 92%
rename from tutorials/discreteMethods/molecularDynamics/mdEquilibrationFoam/periodicCube/system/controlDict
rename to tutorials/discreteMethods/molecularDynamics/mdEquilibrationFoam/periodicCubeArgon/system/controlDict
index f1052a4864..76f7ed8a7e 100644
--- a/tutorials/discreteMethods/molecularDynamics/mdEquilibrationFoam/periodicCube/system/controlDict
+++ b/tutorials/discreteMethods/molecularDynamics/mdEquilibrationFoam/periodicCubeArgon/system/controlDict
@@ -2,7 +2,7 @@
 | =========                 |                                                 |
 | \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox           |
 |  \\    /   O peration     | Version:  1.5                                   |
-|   \\  /    A nd           | Web:      www.OpenFOAM.org                      |
+|   \\  /    A nd           | Web:      http://www.OpenFOAM.org               |
 |    \\/     M anipulation  |                                                 |
 \*---------------------------------------------------------------------------*/
 FoamFile
@@ -10,7 +10,6 @@ FoamFile
     version     2.0;
     format      ascii;
     class       dictionary;
-    location    "system";
     object      controlDict;
 }
 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
@@ -45,5 +44,4 @@ runTimeModifiable yes;
 
 adjustTimeStep  no;
 
-
 // ************************************************************************* //
diff --git a/tutorials/discreteMethods/molecularDynamics/mdEquilibrationFoam/periodicCubeArgon/system/decomposeParDict b/tutorials/discreteMethods/molecularDynamics/mdEquilibrationFoam/periodicCubeArgon/system/decomposeParDict
new file mode 100644
index 0000000000..958e14c733
--- /dev/null
+++ b/tutorials/discreteMethods/molecularDynamics/mdEquilibrationFoam/periodicCubeArgon/system/decomposeParDict
@@ -0,0 +1,64 @@
+/*---------------------------------------------------------------------------*\
+| =========                 |                                                 |
+| \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox           |
+|  \\    /   O peration     | Version:  1.3                                   |
+|   \\  /    A nd           | Web:      http://www.openfoam.org               |
+|    \\/     M anipulation  |                                                 |
+\*---------------------------------------------------------------------------*/
+
+FoamFile
+{
+    version         2.0;
+    format          ascii;
+
+    root            "";
+    case            "";
+    instance        "";
+    local           "";
+
+    class           dictionary;
+    object          decomposeParDict;
+}
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+
+numberOfSubdomains 2;
+
+method              simple;
+
+simpleCoeffs
+{
+    n               (2 1 1);
+    delta           0.001;
+}
+
+hierarchicalCoeffs
+{
+    n               (1 1 1);
+    delta           0.001;
+    order           xyz;
+}
+
+metisCoeffs
+{
+    processorWeights
+    (
+        1
+	    3
+    );
+}
+
+manualCoeffs
+{
+    dataFile        "";
+}
+
+distributed     no;
+
+roots
+(
+);
+
+
+// ************************************************************************* //
diff --git a/tutorials/discreteMethods/molecularDynamics/mdEquilibrationFoam/periodicCube/system/fvSchemes b/tutorials/discreteMethods/molecularDynamics/mdEquilibrationFoam/periodicCubeArgon/system/fvSchemes
similarity index 76%
rename from tutorials/discreteMethods/molecularDynamics/mdEquilibrationFoam/periodicCube/system/fvSchemes
rename to tutorials/discreteMethods/molecularDynamics/mdEquilibrationFoam/periodicCubeArgon/system/fvSchemes
index f923afcfac..42fda7921c 100644
--- a/tutorials/discreteMethods/molecularDynamics/mdEquilibrationFoam/periodicCube/system/fvSchemes
+++ b/tutorials/discreteMethods/molecularDynamics/mdEquilibrationFoam/periodicCubeArgon/system/fvSchemes
@@ -17,43 +17,37 @@ FoamFile
 
 ddtSchemes
 {
-    default         Euler;
+    default         none;
 }
 
 gradSchemes
 {
-    default         Gauss linear;
-    grad(p)         Gauss linear;
+    default         none;
 }
 
 divSchemes
 {
     default         none;
-    div(phi,U)      Gauss linear;
 }
 
 laplacianSchemes
 {
     default         none;
-    laplacian(nu,U) Gauss linear corrected;
-    laplacian(1|A(U),p) Gauss linear corrected;
 }
 
 interpolationSchemes
 {
-    default         linear;
-    interpolate(HbyA) linear;
+    default         none;
 }
 
 snGradSchemes
 {
-    default         corrected;
+    default         none;
 }
 
 fluxRequired
 {
     default         no;
-    p               ;
 }
 
 
diff --git a/tutorials/discreteMethods/molecularDynamics/mdEquilibrationFoam/periodicCube/system/mdEquilibrationDict b/tutorials/discreteMethods/molecularDynamics/mdEquilibrationFoam/periodicCubeArgon/system/fvSolution
similarity index 91%
rename from tutorials/discreteMethods/molecularDynamics/mdEquilibrationFoam/periodicCube/system/mdEquilibrationDict
rename to tutorials/discreteMethods/molecularDynamics/mdEquilibrationFoam/periodicCubeArgon/system/fvSolution
index 2dd296045b..1e39435250 100644
--- a/tutorials/discreteMethods/molecularDynamics/mdEquilibrationFoam/periodicCube/system/mdEquilibrationDict
+++ b/tutorials/discreteMethods/molecularDynamics/mdEquilibrationFoam/periodicCubeArgon/system/fvSolution
@@ -11,11 +11,12 @@ FoamFile
     format      ascii;
     class       dictionary;
     location    "system";
-    object      mdEquilibrationDict;
+    object      fvSolution;
 }
 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
-equilibrationTargetTemperature 300;
-
+solvers
+{
+}
 
 // ************************************************************************* //
diff --git a/tutorials/discreteMethods/molecularDynamics/mdEquilibrationFoam/periodicCubeArgon/system/mdEquilibrationDict b/tutorials/discreteMethods/molecularDynamics/mdEquilibrationFoam/periodicCubeArgon/system/mdEquilibrationDict
new file mode 100644
index 0000000000..e044b83785
--- /dev/null
+++ b/tutorials/discreteMethods/molecularDynamics/mdEquilibrationFoam/periodicCubeArgon/system/mdEquilibrationDict
@@ -0,0 +1,19 @@
+/*--------------------------------*- C++ -*----------------------------------*\
+| =========                 |                                                 |
+| \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox           |
+|  \\    /   O peration     | Version:  1.5                                   |
+|   \\  /    A nd           | Web:      http://www.OpenFOAM.org               |
+|    \\/     M anipulation  |                                                 |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+    version     2.0;
+    format      ascii;
+    class       dictionary;
+    object      mdEquilibrationDict;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+equilibrationTargetTemperature  300.0;
+
+// ************************************************************************* //
\ No newline at end of file
diff --git a/tutorials/discreteMethods/molecularDynamics/mdEquilibrationFoam/periodicCubeArgon/system/mdInitialiseDict b/tutorials/discreteMethods/molecularDynamics/mdEquilibrationFoam/periodicCubeArgon/system/mdInitialiseDict
new file mode 100644
index 0000000000..cb562f34a6
--- /dev/null
+++ b/tutorials/discreteMethods/molecularDynamics/mdEquilibrationFoam/periodicCubeArgon/system/mdInitialiseDict
@@ -0,0 +1,44 @@
+/*---------------------------------------------------------------------------*\
+| =========                 |                                                 |
+| \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox           |
+|  \\    /   O peration     | Version:  1.3                                   |
+|   \\  /    A nd           | Web:      http://www.openfoam.org               |
+|    \\/     M anipulation  |                                                 |
+\*---------------------------------------------------------------------------*/
+
+FoamFile
+{
+    version         2.0;
+    format          ascii;
+
+    root            "";
+    case            "";
+    instance        "";
+    local           "";
+
+    class           dictionary;
+    object          molConfigDict;
+}
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+// Euler angles, expressed in degrees as phi, theta, psi, see
+// http://mathworld.wolfram.com/EulerAngles.html
+
+liquid
+{
+    massDensity             1220;
+    temperature             300;
+    bulkVelocity            (0.0 0.0 0.0);
+    latticeIds              (Ar);
+    tetherSiteIds           ();
+    latticePositions
+    (
+        (0 0 0)
+    );
+    anchor                  (0 0 0);
+    orientationAngles       (0 0 0);
+    latticeCellShape        (1 1 1);
+}
+
+// ************************************************************************* //
diff --git a/tutorials/discreteMethods/molecularDynamics/mdEquilibrationFoam/periodicCubeArgon/system/potentialDict b/tutorials/discreteMethods/molecularDynamics/mdEquilibrationFoam/periodicCubeArgon/system/potentialDict
new file mode 100644
index 0000000000..190428f399
--- /dev/null
+++ b/tutorials/discreteMethods/molecularDynamics/mdEquilibrationFoam/periodicCubeArgon/system/potentialDict
@@ -0,0 +1,121 @@
+/*--------------------------------*- C++ -*----------------------------------*\
+| =========                 |                                                 |
+| \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox           |
+|  \\    /   O peration     | Version:  1.5                                   |
+|   \\  /    A nd           | Web:      http://www.OpenFOAM.org               |
+n|    \\/     M anipulation  |                                                 |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+    version     2.0;
+    format      ascii;
+    class       dictionary;
+    object      potentials;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+// Subdictionaries specifying types of intermolecular potential.
+// Sub-sub dictionaries specify the potentials themselves.
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+// Removal order
+
+// This is the order in which to remove overlapping pairs if more than one
+// type of molecule is present.  The most valuable molecule type is at the
+// right hand end, the molecule that will be removed 1st is 1st on the list.
+// Not all types need to be present, a molecule that is not present is
+// automatically less valuable than any on the list.  For molecules of the
+// same type there is no control over which is removed.
+
+removalOrder ( Ar );
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+// Potential Energy Limit
+
+// Maximum permissible pair energy allowed at startup.  Used to remove
+// overlapping molecules created during preprocessing.
+
+potentialEnergyLimit 1e-18;
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+// Pair potentials
+
+// If there are r different type of molecules, and a pair force is required
+// between all combinations, then there are C = r(r+1)/2 combinations,
+// i.e. for r = {1,2,3,4}, C = {1,3,6,10} (sum of triangular numbers).
+
+// Pair potentials are specified by the combinaition of their ids,
+// for MOLA and MOLB, "MOLA-MOLB" OR "MOLB-MOLA" is acceptable
+// (strictly OR, both or neither is an error)
+
+pair
+{
+    Ar-Ar
+    {
+        pairPotential   maitlandSmith;
+        rCut            1.0e-9;
+        rMin            0.15e-9;
+        dr              5e-14;
+        maitlandSmithCoeffs
+        {
+            m           13.0;
+            gamma       7.5;
+            rm          0.3756e-9;
+            epsilon     1.990108438e-21;
+        }
+        energyScalingFunction   doubleSigmoid;
+        doubleSigmoidCoeffs
+        {
+            shift1      0.9e-9;
+            scale1      0.3e11;
+            shift2      0.97e-9;
+            scale2      1.2e11;
+        }
+        writeTables     yes;
+    }
+
+    electrostatic
+    {
+        pairPotential   dampedCoulomb;
+        rCut            1.0e-9;
+        rMin            0.1e-9;
+        dr              2e-12;
+        dampedCoulombCoeffs
+        {
+            alpha       2e9;
+        }
+        energyScalingFunction   shiftedForce;
+        writeTables     yes;
+    }
+}
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+// Tethering Potentials
+
+tether
+{
+    O
+    {
+        tetherPotential restrainedHarmonicSpring;
+        restrainedHarmonicSpringCoeffs
+        {
+            springConstant  0.277;
+            rR              1.2e-9;
+        }
+    }
+}
+
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+// External Forces
+
+// Bulk external forces (namely gravity) will be specified as forces rather
+// than potentials to allow their direction to be controlled.
+
+external
+{
+    gravity             (0 0 0);
+}
+
+
+// ************************************************************************* //
diff --git a/tutorials/discreteMethods/molecularDynamics/mdEquilibrationFoam/periodicCubeWater/constant/moleculeProperties b/tutorials/discreteMethods/molecularDynamics/mdEquilibrationFoam/periodicCubeWater/constant/moleculeProperties
new file mode 100644
index 0000000000..2486f3c146
--- /dev/null
+++ b/tutorials/discreteMethods/molecularDynamics/mdEquilibrationFoam/periodicCubeWater/constant/moleculeProperties
@@ -0,0 +1,72 @@
+/*--------------------------------*- C++ -*----------------------------------*\
+| =========                 |                                                 |
+| \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox           |
+|  \\    /   O peration     | Version:  dev                                   |
+|   \\  /    A nd           | Web:      http://www.OpenFOAM.org               |
+|    \\/     M anipulation  |                                                 |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+    version     2.0;
+    format      ascii;
+    class       dictionary;
+    location    "constant";
+    object      moleculeProperties;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+water
+{
+    siteIds                     (H H O M);
+    pairPotentialSiteIds        (O);
+    siteReferencePositions
+    (
+        (7.56950327263661e-11 5.85882276618295e-11 0)
+        (-7.56950327263661e-11 5.85882276618295e-11 0)
+        (0 0 0)
+        (0 1.5e-11 0)
+    );
+    siteMasses
+    (
+        1.67353255e-27
+        1.67353255e-27
+        2.6560176e-26
+        0
+    );
+    siteCharges
+    (
+        8.3313177324e-20
+        8.3313177324e-20
+        0
+        -1.66626354648e-19
+    );
+}
+
+water2
+{
+    siteIds                     (H2 H2 O M2);
+    pairPotentialSiteIds        (O);
+    siteReferencePositions
+    (
+        (7.56950327263661e-11 5.85882276618295e-11 0)
+        (-7.56950327263661e-11 5.85882276618295e-11 0)
+        (0 0 0)
+        (0 1.5e-11 0)
+    );
+    siteMasses
+    (
+        1.67353255e-27
+        1.67353255e-27
+        2.6560176e-26
+        0
+    );
+    siteCharges
+    (
+        8.3313177324e-20
+        8.3313177324e-20
+        0
+        -1.66626354648e-19
+    );
+}
+
+// ************************************************************************* //
diff --git a/tutorials/discreteMethods/molecularDynamics/mdEquilibrationFoam/periodicCubeWater/constant/polyMesh/blockMeshDict b/tutorials/discreteMethods/molecularDynamics/mdEquilibrationFoam/periodicCubeWater/constant/polyMesh/blockMeshDict
new file mode 100644
index 0000000000..b78ecf45c9
--- /dev/null
+++ b/tutorials/discreteMethods/molecularDynamics/mdEquilibrationFoam/periodicCubeWater/constant/polyMesh/blockMeshDict
@@ -0,0 +1,73 @@
+/*---------------------------------------------------------------------------*\
+| =========                 |                                                 |
+| \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox           |
+|  \\    /   O peration     | Version:  1.3                                   |
+|   \\  /    A nd           | Web:      http://www.openfoam.org               |
+|    \\/     M anipulation  |                                                 |
+\*---------------------------------------------------------------------------*/
+
+FoamFile
+{
+    version         2.0;
+    format          ascii;
+
+    root            "";
+    case            "";
+    instance        "";
+    local           "";
+
+    class           dictionary;
+    object          blockMeshDict;
+}
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+convertToMeters 2.10840e-9;
+
+vertices
+(
+    (-1 -1 -1)
+    (1 -1 -1)
+    (1 1 -1)
+    (-1 1 -1)
+    (-1 -1 1)
+    (1 -1 1)
+    (1 1 1)
+    (-1 1 1)
+);
+
+blocks
+(
+    hex (0 1 2 3 4 5 6 7) liquid (12 12 11) simpleGrading (1 1 1)
+);
+
+patches
+(
+    cyclic
+    periodicX
+    (
+        (1 2 6 5)
+        (0 4 7 3)
+    )
+
+    cyclic
+    periodicY
+    (
+        (2 3 7 6)
+        (0 1 5 4)
+    )
+
+    cyclic
+    periodicZ
+    (
+        (0 3 2 1)
+        (4 5 6 7)
+    )
+)
+
+mergePatchPairs
+(
+);
+
+
+// ************************************************************************* //
diff --git a/tutorials/discreteMethods/molecularDynamics/gnemdFoam/constrictedChannel/constant/polyMesh/boundary b/tutorials/discreteMethods/molecularDynamics/mdEquilibrationFoam/periodicCubeWater/constant/polyMesh/boundary
similarity index 67%
rename from tutorials/discreteMethods/molecularDynamics/gnemdFoam/constrictedChannel/constant/polyMesh/boundary
rename to tutorials/discreteMethods/molecularDynamics/mdEquilibrationFoam/periodicCubeWater/constant/polyMesh/boundary
index e9d933420b..27cc5e87df 100644
--- a/tutorials/discreteMethods/molecularDynamics/gnemdFoam/constrictedChannel/constant/polyMesh/boundary
+++ b/tutorials/discreteMethods/molecularDynamics/mdEquilibrationFoam/periodicCubeWater/constant/polyMesh/boundary
@@ -1,8 +1,8 @@
 /*--------------------------------*- C++ -*----------------------------------*\
 | =========                 |                                                 |
 | \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox           |
-|  \\    /   O peration     | Version:  1.5                                   |
-|   \\  /    A nd           | Web:      http://www.OpenFOAM.org               |
+|  \\    /   O peration     | Version:  dev                                   |
+|   \\  /    A nd           | Web:      www.OpenFOAM.org                      |
 |    \\/     M anipulation  |                                                 |
 \*---------------------------------------------------------------------------*/
 FoamFile
@@ -15,34 +15,29 @@ FoamFile
 }
 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
-4
+3
 (
     periodicX
     {
         type            cyclic;
-        nFaces          288;
-        startFace       10710;
+        nFaces          264;
+        startFace       4344;
+        featureCos      0.9;
+    }
+    periodicY
+    {
+        type            cyclic;
+        nFaces          264;
+        startFace       4608;
         featureCos      0.9;
     }
     periodicZ
     {
         type            cyclic;
-        nFaces          1296;
-        startFace       10998;
+        nFaces          288;
+        startFace       4872;
         featureCos      0.9;
     }
-    outerBoundaryBottom
-    {
-        type            wall;
-        nFaces          162;
-        startFace       12294;
-    }
-    outerBoundaryTop
-    {
-        type            wall;
-        nFaces          162;
-        startFace       12456;
-    }
 )
 
 // ************************************************************************* //
diff --git a/tutorials/discreteMethods/molecularDynamics/gnemdFoam/nanoNozzle/system/controlDict b/tutorials/discreteMethods/molecularDynamics/mdEquilibrationFoam/periodicCubeWater/system/controlDict
similarity index 86%
rename from tutorials/discreteMethods/molecularDynamics/gnemdFoam/nanoNozzle/system/controlDict
rename to tutorials/discreteMethods/molecularDynamics/mdEquilibrationFoam/periodicCubeWater/system/controlDict
index 4643687163..51a42ecc0e 100644
--- a/tutorials/discreteMethods/molecularDynamics/gnemdFoam/nanoNozzle/system/controlDict
+++ b/tutorials/discreteMethods/molecularDynamics/mdEquilibrationFoam/periodicCubeWater/system/controlDict
@@ -2,7 +2,7 @@
 | =========                 |                                                 |
 | \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox           |
 |  \\    /   O peration     | Version:  1.5                                   |
-|   \\  /    A nd           | Web:      www.OpenFOAM.org                      |
+|   \\  /    A nd           | Web:      http://www.OpenFOAM.org               |
 |    \\/     M anipulation  |                                                 |
 \*---------------------------------------------------------------------------*/
 FoamFile
@@ -10,7 +10,6 @@ FoamFile
     version     2.0;
     format      ascii;
     class       dictionary;
-    location    "system";
     object      controlDict;
 }
 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
@@ -21,13 +20,13 @@ startTime       0;
 
 stopAt          endTime;
 
-endTime         3e-11;
+endTime         5e-12;
 
-deltaT          1e-14;
+deltaT          1e-15;
 
 writeControl    runTime;
 
-writeInterval   1e-12;
+writeInterval   2e-13;
 
 purgeWrite      0;
 
@@ -45,5 +44,4 @@ runTimeModifiable yes;
 
 adjustTimeStep  no;
 
-
 // ************************************************************************* //
diff --git a/tutorials/discreteMethods/molecularDynamics/gnemdFoam/nanoNozzle/system/decomposeParDict b/tutorials/discreteMethods/molecularDynamics/mdEquilibrationFoam/periodicCubeWater/system/decomposeParDict
similarity index 57%
rename from tutorials/discreteMethods/molecularDynamics/gnemdFoam/nanoNozzle/system/decomposeParDict
rename to tutorials/discreteMethods/molecularDynamics/mdEquilibrationFoam/periodicCubeWater/system/decomposeParDict
index 2b1855ea46..e0302aafcc 100644
--- a/tutorials/discreteMethods/molecularDynamics/gnemdFoam/nanoNozzle/system/decomposeParDict
+++ b/tutorials/discreteMethods/molecularDynamics/mdEquilibrationFoam/periodicCubeWater/system/decomposeParDict
@@ -1,40 +1,52 @@
-/*--------------------------------*- C++ -*----------------------------------*\
+/*---------------------------------------------------------------------------*\
 | =========                 |                                                 |
 | \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox           |
-|  \\    /   O peration     | Version:  1.5                                   |
-|   \\  /    A nd           | Web:      www.OpenFOAM.org                      |
+|  \\    /   O peration     | Version:  1.3                                   |
+|   \\  /    A nd           | Web:      http://www.openfoam.org               |
 |    \\/     M anipulation  |                                                 |
 \*---------------------------------------------------------------------------*/
+
 FoamFile
 {
-    version     2.0;
-    format      ascii;
-    class       dictionary;
-    location    "system";
-    object      decomposeParDict;
+    version         2.0;
+    format          ascii;
+
+    root            "";
+    case            "";
+    instance        "";
+    local           "";
+
+    class           dictionary;
+    object          decomposeParDict;
 }
+
 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
+
 numberOfSubdomains 4;
 
-method          metis;
+method              simple;
 
 simpleCoeffs
 {
-    n               ( 4 1 1 );
+    n               (2 2 1);
     delta           0.001;
 }
 
 hierarchicalCoeffs
 {
-    n               ( 1 1 1 );
+    n               (1 1 1);
     delta           0.001;
     order           xyz;
 }
 
 metisCoeffs
 {
-    processorWeights ( 1 1 1 1 );
+    processorWeights
+    (
+        1
+	    3
+    );
 }
 
 manualCoeffs
@@ -44,7 +56,9 @@ manualCoeffs
 
 distributed     no;
 
-roots           ( );
+roots
+(
+);
 
 
 // ************************************************************************* //
diff --git a/tutorials/discreteMethods/molecularDynamics/gnemdFoam/constrictedChannel/system/fvSchemes b/tutorials/discreteMethods/molecularDynamics/mdEquilibrationFoam/periodicCubeWater/system/fvSchemes
similarity index 76%
rename from tutorials/discreteMethods/molecularDynamics/gnemdFoam/constrictedChannel/system/fvSchemes
rename to tutorials/discreteMethods/molecularDynamics/mdEquilibrationFoam/periodicCubeWater/system/fvSchemes
index f923afcfac..42fda7921c 100644
--- a/tutorials/discreteMethods/molecularDynamics/gnemdFoam/constrictedChannel/system/fvSchemes
+++ b/tutorials/discreteMethods/molecularDynamics/mdEquilibrationFoam/periodicCubeWater/system/fvSchemes
@@ -17,43 +17,37 @@ FoamFile
 
 ddtSchemes
 {
-    default         Euler;
+    default         none;
 }
 
 gradSchemes
 {
-    default         Gauss linear;
-    grad(p)         Gauss linear;
+    default         none;
 }
 
 divSchemes
 {
     default         none;
-    div(phi,U)      Gauss linear;
 }
 
 laplacianSchemes
 {
     default         none;
-    laplacian(nu,U) Gauss linear corrected;
-    laplacian(1|A(U),p) Gauss linear corrected;
 }
 
 interpolationSchemes
 {
-    default         linear;
-    interpolate(HbyA) linear;
+    default         none;
 }
 
 snGradSchemes
 {
-    default         corrected;
+    default         none;
 }
 
 fluxRequired
 {
     default         no;
-    p               ;
 }
 
 
diff --git a/tutorials/discreteMethods/molecularDynamics/gnemdFoam/constrictedChannel/system/mdSolution b/tutorials/discreteMethods/molecularDynamics/mdEquilibrationFoam/periodicCubeWater/system/fvSolution
similarity index 89%
rename from tutorials/discreteMethods/molecularDynamics/gnemdFoam/constrictedChannel/system/mdSolution
rename to tutorials/discreteMethods/molecularDynamics/mdEquilibrationFoam/periodicCubeWater/system/fvSolution
index dfef948901..1e39435250 100644
--- a/tutorials/discreteMethods/molecularDynamics/gnemdFoam/constrictedChannel/system/mdSolution
+++ b/tutorials/discreteMethods/molecularDynamics/mdEquilibrationFoam/periodicCubeWater/system/fvSolution
@@ -11,13 +11,12 @@ FoamFile
     format      ascii;
     class       dictionary;
     location    "system";
-    object      mdSolution;
+    object      fvSolution;
 }
 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
-integrationMethod verletLeapfrog;
-
-potentialEnergyLimit 5.256e-20;
-
+solvers
+{
+}
 
 // ************************************************************************* //
diff --git a/tutorials/discreteMethods/molecularDynamics/gnemdFoam/nanoNozzle/system/mdSolution b/tutorials/discreteMethods/molecularDynamics/mdEquilibrationFoam/periodicCubeWater/system/mdEquilibrationDict
similarity index 79%
rename from tutorials/discreteMethods/molecularDynamics/gnemdFoam/nanoNozzle/system/mdSolution
rename to tutorials/discreteMethods/molecularDynamics/mdEquilibrationFoam/periodicCubeWater/system/mdEquilibrationDict
index dfef948901..de8cb745e1 100644
--- a/tutorials/discreteMethods/molecularDynamics/gnemdFoam/nanoNozzle/system/mdSolution
+++ b/tutorials/discreteMethods/molecularDynamics/mdEquilibrationFoam/periodicCubeWater/system/mdEquilibrationDict
@@ -2,7 +2,7 @@
 | =========                 |                                                 |
 | \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox           |
 |  \\    /   O peration     | Version:  1.5                                   |
-|   \\  /    A nd           | Web:      www.OpenFOAM.org                      |
+|   \\  /    A nd           | Web:      http://www.OpenFOAM.org               |
 |    \\/     M anipulation  |                                                 |
 \*---------------------------------------------------------------------------*/
 FoamFile
@@ -10,14 +10,10 @@ FoamFile
     version     2.0;
     format      ascii;
     class       dictionary;
-    location    "system";
-    object      mdSolution;
+    object      mdEquilibrationDict;
 }
 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
-integrationMethod verletLeapfrog;
-
-potentialEnergyLimit 5.256e-20;
-
+targetTemperature  298;
 
 // ************************************************************************* //
diff --git a/tutorials/discreteMethods/molecularDynamics/mdEquilibrationFoam/periodicCubeWater/system/mdInitialiseDict b/tutorials/discreteMethods/molecularDynamics/mdEquilibrationFoam/periodicCubeWater/system/mdInitialiseDict
new file mode 100644
index 0000000000..ff1444ead5
--- /dev/null
+++ b/tutorials/discreteMethods/molecularDynamics/mdEquilibrationFoam/periodicCubeWater/system/mdInitialiseDict
@@ -0,0 +1,53 @@
+/*---------------------------------------------------------------------------*\
+| =========                 |                                                 |
+| \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox           |
+|  \\    /   O peration     | Version:  1.3                                   |
+|   \\  /    A nd           | Web:      http://www.openfoam.org               |
+|    \\/     M anipulation  |                                                 |
+\*---------------------------------------------------------------------------*/
+
+FoamFile
+{
+    version         2.0;
+    format          ascii;
+
+    root            "";
+    case            "";
+    instance        "";
+    local           "";
+
+    class           dictionary;
+    object          molConfigDict;
+}
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+// Euler angles, expressed in degrees as phi, theta, psi, see
+// http://mathworld.wolfram.com/EulerAngles.html
+
+liquid
+{
+    massDensity             980;
+    temperature             298;
+    bulkVelocity            (0.0 0.0 0.0);
+    latticeIds
+    (
+        water
+        water2
+        water
+        water2
+    );
+    tetherSiteIds           ();
+    latticePositions
+    (
+        (0 0 0)
+        (0 0.5 0.5)
+        (0.5 0 0.5)
+        (0.5 0.5 0)
+    );
+    anchor                  (0 0 0);
+    orientationAngles       (0 0 0);
+    latticeCellShape        (1 1 1);
+}
+
+// ************************************************************************* //
diff --git a/tutorials/discreteMethods/molecularDynamics/mdEquilibrationFoam/periodicCubeWater/system/potentialDict b/tutorials/discreteMethods/molecularDynamics/mdEquilibrationFoam/periodicCubeWater/system/potentialDict
new file mode 100644
index 0000000000..25b268e74c
--- /dev/null
+++ b/tutorials/discreteMethods/molecularDynamics/mdEquilibrationFoam/periodicCubeWater/system/potentialDict
@@ -0,0 +1,118 @@
+/*--------------------------------*- C++ -*----------------------------------*\
+| =========                 |                                                 |
+| \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox           |
+|  \\    /   O peration     | Version:  1.5                                   |
+|   \\  /    A nd           | Web:      http://www.OpenFOAM.org               |
+|    \\/     M anipulation  |                                                 |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+    version     2.0;
+    format      ascii;
+    class       dictionary;
+    object      potentials;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+// Subdictionaries specifying types of intermolecular potential.
+// Sub-sub dictionaries specify the potentials themselves.
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+// Removal order
+
+// This is the order in which to remove overlapping pairs if more than one
+// type of molecule is present.  The most valuable molecule type is at the
+// right hand end, the molecule that will be removed 1st is 1st on the list.
+// Not all types need to be present, a molecule that is not present is
+// automatically less valuable than any on the list.  For molecules of the
+// same type there is no control over which is removed.
+
+removalOrder ( water );
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+// Potential Energy Limit
+
+// Maximum permissible pair energy allowed at startup.  Used to remove
+// overlapping molecules created during preprocessing.
+
+potentialEnergyLimit 1e-18;
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+// Pair potentials
+
+// If a pair are not present here it is assumed that they do not interact.
+
+// Electrostatic pair interactions are not listed here - they are handled
+// separately.
+
+// If there are r different type of molecules, and a pair force is required
+// between all combinations, then there are C = r(r+1)/2 combinations,
+// i.e. for r = {1,2,3,4}, C = {1,3,6,10} (sum of triangular numbers).
+
+// Pair potentials are specified by the combinaition of their ids,
+// for MOLA and MOLB, "MOLA-MOLB" OR "MOLB-MOLA" is acceptable
+// (strictly OR, both or neither will throw an error)
+
+pair
+{
+    O-O
+    {
+        pairPotential   lennardJones;
+        rCut            1.0e-9;
+        rMin            0.1e-9;
+        dr              1e-13;
+        lennardJonesCoeffs
+        {
+            sigma       3.154e-10;
+            epsilon     1.07690722e-21;
+        }
+        energyScalingFunction   noScaling;
+        writeTables     yes;
+    }
+
+    electrostatic
+    {
+        pairPotential   dampedCoulomb;
+        rCut            1e-9;
+        rMin            2e-11;
+        dr              2e-12;
+        dampedCoulombCoeffs
+        {
+            alpha       2e9;
+        }
+        energyScalingFunction   shiftedForce;
+        writeTables     yes;
+    }
+}
+
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+// Tethering Potentials
+
+tether
+{
+    O
+    {
+        tetherPotential restrainedHarmonicSpring;
+        restrainedHarmonicSpringCoeffs
+        {
+            springConstant  0.277;
+            rR              1.2e-9;
+        }
+    }
+}
+
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+// External Forces
+
+// Bulk external forces (namely gravity) will be specified as forces rather
+// than potentials to allow their direction to be controlled.
+
+external
+{
+    gravity             (0 0 0);
+}
+
+
+// ************************************************************************* //
diff --git a/tutorials/discreteMethods/molecularDynamics/gnemdFoam/Allclean b/tutorials/discreteMethods/molecularDynamics/mdFoam/Allclean
similarity index 57%
rename from tutorials/discreteMethods/molecularDynamics/gnemdFoam/Allclean
rename to tutorials/discreteMethods/molecularDynamics/mdFoam/Allclean
index 11f901ce8e..7ff7776cb1 100755
--- a/tutorials/discreteMethods/molecularDynamics/gnemdFoam/Allclean
+++ b/tutorials/discreteMethods/molecularDynamics/mdFoam/Allclean
@@ -3,14 +3,8 @@
 # Source tutorial clean functions
 . $WM_PROJECT_DIR/bin/tools/CleanFunctions
 
-cd constrictedChannel
-    rm -rf 0
-    rm -rf Ar-Ar Ar-Ne Ne-Ne
-    rm -rf constant/idList
-    cleanCase
-cd ..
-
 cd nanoNozzle
+    rm -rf constant/polyMesh/sets
     rm -rf processor[0-9]
     cleanCase
 cd ..
diff --git a/tutorials/discreteMethods/molecularDynamics/gnemdFoam/Allrun b/tutorials/discreteMethods/molecularDynamics/mdFoam/Allrun
similarity index 60%
rename from tutorials/discreteMethods/molecularDynamics/gnemdFoam/Allrun
rename to tutorials/discreteMethods/molecularDynamics/mdFoam/Allrun
index 640ecd9bdc..c756b2ca7e 100755
--- a/tutorials/discreteMethods/molecularDynamics/gnemdFoam/Allrun
+++ b/tutorials/discreteMethods/molecularDynamics/mdFoam/Allrun
@@ -3,13 +3,7 @@
 # Source tutorial run functions
 . $WM_PROJECT_DIR/bin/tools/RunFunctions
 
-application="gnemdFoam"
-
-cd constrictedChannel
-   runApplication blockMesh
-   runApplication molConfig
-   runApplication $application
-cd ..
+application="mdFoam"
 
 cd nanoNozzle
     runApplication blockMesh
@@ -17,7 +11,7 @@ cd nanoNozzle
     runApplication decomposePar
     hostname > system/machines
 
-    runParallel molConfig 4 system/machines
+    runParallel mdInitialise 4 system/machines
     runParallel $application 4 system/machines
 
     runApplication reconstructPar
diff --git a/tutorials/discreteMethods/molecularDynamics/mdFoam/nanoNozzle/constant/moleculeProperties b/tutorials/discreteMethods/molecularDynamics/mdFoam/nanoNozzle/constant/moleculeProperties
new file mode 100644
index 0000000000..faf5386588
--- /dev/null
+++ b/tutorials/discreteMethods/molecularDynamics/mdFoam/nanoNozzle/constant/moleculeProperties
@@ -0,0 +1,45 @@
+/*--------------------------------*- C++ -*----------------------------------*\
+| =========                 |                                                 |
+| \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox           |
+|  \\    /   O peration     | Version:  dev                                   |
+|   \\  /    A nd           | Web:      http://www.OpenFOAM.org               |
+|    \\/     M anipulation  |                                                 |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+    version     2.0;
+    format      ascii;
+    class       dictionary;
+    location    "constant";
+    object      moleculeProperties;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+water
+{
+    siteIds                     (H H O M);
+    pairPotentialSiteIds        (O);
+    siteReferencePositions
+    (
+        (7.56950327263661e-11 5.85882276618295e-11 0)
+        (-7.56950327263661e-11 5.85882276618295e-11 0)
+        (0 0 0)
+        (0 1.5e-11 0)
+    );
+    siteMasses
+    (
+        1.67353255e-27
+        1.67353255e-27
+        2.6560176e-26
+        0
+    );
+    siteCharges
+    (
+        8.3313177324e-20
+        8.3313177324e-20
+        0
+        -1.66626354648e-19
+    );
+}
+
+// ************************************************************************* //
diff --git a/tutorials/discreteMethods/molecularDynamics/gnemdFoam/nanoNozzle/constant/polyMesh/blockMeshDict b/tutorials/discreteMethods/molecularDynamics/mdFoam/nanoNozzle/constant/polyMesh/blockMeshDict
similarity index 65%
rename from tutorials/discreteMethods/molecularDynamics/gnemdFoam/nanoNozzle/constant/polyMesh/blockMeshDict
rename to tutorials/discreteMethods/molecularDynamics/mdFoam/nanoNozzle/constant/polyMesh/blockMeshDict
index 024f66a383..bfd56736e2 100644
--- a/tutorials/discreteMethods/molecularDynamics/gnemdFoam/nanoNozzle/constant/polyMesh/blockMeshDict
+++ b/tutorials/discreteMethods/molecularDynamics/mdFoam/nanoNozzle/constant/polyMesh/blockMeshDict
@@ -14,9 +14,9 @@ FoamFile
 }
 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
-convertToMeters 3e-9;
+convertToMeters 3.2e-9;
 
-vertices        
+vertices
 (
 	(0 0 0)
 	(3.5 0 0)
@@ -44,47 +44,19 @@ vertices
 	(16 2.5 3.5)
 );
 
-blocks          
+blocks
 (
-	hex (0 1 2 3 4 5 6 7) sectionA (16 15 15) simpleGrading (1 1 1)
-    hex (1 8 9 2 5 10 11 6) sectionA (16 15 15) simpleGrading (0.4 1 1)
-	hex (8 12 13 9 10 14 15 11) sectionB (16 15 15) simpleGrading (1 1 1)
-	hex (12 16 17 13 14 18 19 15) sectionC (11 15 15) simpleGrading (2.8 1 1)
-	hex (16 20 21 17 18 22 23 19) sectionC (16 15 15) simpleGrading (1 1 1)
+	hex (0 1 2 3 4 5 6 7) sectionA (20 16 16) simpleGrading (1 1 1)
+    hex (1 8 9 2 5 10 11 6) sectionA (20 16 16) simpleGrading (1 1 1)
+	hex (8 12 13 9 10 14 15 11) sectionB (29 16 16) simpleGrading (1 1 1)
+	hex (12 16 17 13 14 18 19 15) sectionC (17 16 16) simpleGrading (1 1 1)
+	hex (16 20 21 17 18 22 23 19) sectionC (20 16 16) simpleGrading (1 1 1)
 );
 
-edges           
-(
-		simpleSpline 12 16
-		(
-			(10.375 0.875 0.4)
-			(10.75 0.75 0)
-			(11.125 0.625 -0.4)
-		)
-		
-		simpleSpline 14 18
-		(
-			(10.375 0.875 2.6)
-			(10.75 0.75 3)
-			(11.125 0.625 3.4)
-		)
-		
-		simpleSpline 15 19
-		(
-			(10.375 2.125 2.6)
-			(10.75 2.25 3)
-			(11.125 2.375 3.4)
-		)
-		
-		simpleSpline 13 17
-		(
-			(10.375 2.125 0.4)
-			(10.75 2.25 0)
-			(11.125 2.375 -0.4)
-		)
-);
+edges
+();
 
-patches         
+patches
 (
 	patch
 	sectionAEnd
@@ -92,12 +64,12 @@ patches
 		(0 4 7 3)
 	)
 
-	patch
+	wall
 	sectionCEnd
 	(
 		(20 21 23 22)
 	)
-		
+
 	wall
 	front
 	(
@@ -107,7 +79,7 @@ patches
 		(12 16 18 14)
 		(16 20 22 18)
 	)
-		
+
 	wall
 	back
 	(
@@ -117,7 +89,7 @@ patches
 		(13 15 19 17)
 		(17 19 23 21)
 	)
-		
+
 	wall
 	top
 	(
@@ -127,7 +99,7 @@ patches
 		(14 18 19 15)
 		(18 22 23 19)
 	)
-		
+
 	wall
 	bottom
 	(
@@ -139,7 +111,7 @@ patches
 	)
 );
 
-mergePatchPairs 
+mergePatchPairs
 (
 );
 
diff --git a/tutorials/discreteMethods/molecularDynamics/gnemdFoam/nanoNozzle/constant/polyMesh/boundary b/tutorials/discreteMethods/molecularDynamics/mdFoam/nanoNozzle/constant/polyMesh/boundary
similarity index 66%
rename from tutorials/discreteMethods/molecularDynamics/gnemdFoam/nanoNozzle/constant/polyMesh/boundary
rename to tutorials/discreteMethods/molecularDynamics/mdFoam/nanoNozzle/constant/polyMesh/boundary
index a58d17ed7f..8f1b5f6505 100644
--- a/tutorials/discreteMethods/molecularDynamics/gnemdFoam/nanoNozzle/constant/polyMesh/boundary
+++ b/tutorials/discreteMethods/molecularDynamics/mdFoam/nanoNozzle/constant/polyMesh/boundary
@@ -1,8 +1,8 @@
 /*--------------------------------*- C++ -*----------------------------------*\
 | =========                 |                                                 |
 | \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox           |
-|  \\    /   O peration     | Version:  1.5                                   |
-|   \\  /    A nd           | Web:      http://www.OpenFOAM.org               |
+|  \\    /   O peration     | Version:  dev                                   |
+|   \\  /    A nd           | Web:      www.OpenFOAM.org                      |
 |    \\/     M anipulation  |                                                 |
 \*---------------------------------------------------------------------------*/
 FoamFile
@@ -20,38 +20,38 @@ FoamFile
     sectionAEnd
     {
         type            patch;
-        nFaces          225;
-        startFace       48150;
+        nFaces          256;
+        startFace       77760;
     }
     sectionCEnd
     {
-        type            patch;
-        nFaces          225;
-        startFace       48375;
+        type            wall;
+        nFaces          256;
+        startFace       78016;
     }
     front
     {
         type            wall;
-        nFaces          1125;
-        startFace       48600;
+        nFaces          1696;
+        startFace       78272;
     }
     back
     {
         type            wall;
-        nFaces          1125;
-        startFace       49725;
+        nFaces          1696;
+        startFace       79968;
     }
     top
     {
         type            wall;
-        nFaces          1125;
-        startFace       50850;
+        nFaces          1696;
+        startFace       81664;
     }
     bottom
     {
         type            wall;
-        nFaces          1125;
-        startFace       51975;
+        nFaces          1696;
+        startFace       83360;
     }
 )
 
diff --git a/tutorials/discreteMethods/molecularDynamics/gnemdFoam/constrictedChannel/system/controlDict b/tutorials/discreteMethods/molecularDynamics/mdFoam/nanoNozzle/system/controlDict
similarity index 86%
rename from tutorials/discreteMethods/molecularDynamics/gnemdFoam/constrictedChannel/system/controlDict
rename to tutorials/discreteMethods/molecularDynamics/mdFoam/nanoNozzle/system/controlDict
index c43b52a448..8a3ba00616 100644
--- a/tutorials/discreteMethods/molecularDynamics/gnemdFoam/constrictedChannel/system/controlDict
+++ b/tutorials/discreteMethods/molecularDynamics/mdFoam/nanoNozzle/system/controlDict
@@ -2,7 +2,7 @@
 | =========                 |                                                 |
 | \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox           |
 |  \\    /   O peration     | Version:  1.5                                   |
-|   \\  /    A nd           | Web:      www.OpenFOAM.org                      |
+|   \\  /    A nd           | Web:      http://www.OpenFOAM.org               |
 |    \\/     M anipulation  |                                                 |
 \*---------------------------------------------------------------------------*/
 FoamFile
@@ -10,7 +10,6 @@ FoamFile
     version     2.0;
     format      ascii;
     class       dictionary;
-    location    "system";
     object      controlDict;
 }
 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
@@ -21,13 +20,13 @@ startTime       0;
 
 stopAt          endTime;
 
-endTime         8e-11;
+endTime         1e-10;
 
-deltaT          1e-14;
+deltaT          1e-15;
 
 writeControl    runTime;
 
-writeInterval   2e-12;
+writeInterval   2e-13;
 
 purgeWrite      0;
 
@@ -45,5 +44,4 @@ runTimeModifiable yes;
 
 adjustTimeStep  no;
 
-
 // ************************************************************************* //
diff --git a/tutorials/discreteMethods/molecularDynamics/mdFoam/nanoNozzle/system/decomposeParDict b/tutorials/discreteMethods/molecularDynamics/mdFoam/nanoNozzle/system/decomposeParDict
new file mode 100644
index 0000000000..a3946a745f
--- /dev/null
+++ b/tutorials/discreteMethods/molecularDynamics/mdFoam/nanoNozzle/system/decomposeParDict
@@ -0,0 +1,66 @@
+/*---------------------------------------------------------------------------*\
+| =========                 |                                                 |
+| \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox           |
+|  \\    /   O peration     | Version:  1.3                                   |
+|   \\  /    A nd           | Web:      http://www.openfoam.org               |
+|    \\/     M anipulation  |                                                 |
+\*---------------------------------------------------------------------------*/
+
+FoamFile
+{
+    version         2.0;
+    format          ascii;
+
+    root            "";
+    case            "";
+    instance        "";
+    local           "";
+
+    class           dictionary;
+    object          decomposeParDict;
+}
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+
+numberOfSubdomains 4;
+
+method              metis;
+
+simpleCoeffs
+{
+    n               (2 2 1);
+    delta           0.001;
+}
+
+hierarchicalCoeffs
+{
+    n               (1 1 1);
+    delta           0.001;
+    order           xyz;
+}
+
+metisCoeffs
+{
+    processorWeights
+    (
+        1
+        1
+        1
+        1
+    );
+}
+
+manualCoeffs
+{
+    dataFile        "";
+}
+
+distributed     no;
+
+roots
+(
+);
+
+
+// ************************************************************************* //
diff --git a/tutorials/discreteMethods/molecularDynamics/gnemdFoam/nanoNozzle/system/fvSchemes b/tutorials/discreteMethods/molecularDynamics/mdFoam/nanoNozzle/system/fvSchemes
similarity index 76%
rename from tutorials/discreteMethods/molecularDynamics/gnemdFoam/nanoNozzle/system/fvSchemes
rename to tutorials/discreteMethods/molecularDynamics/mdFoam/nanoNozzle/system/fvSchemes
index f923afcfac..42fda7921c 100644
--- a/tutorials/discreteMethods/molecularDynamics/gnemdFoam/nanoNozzle/system/fvSchemes
+++ b/tutorials/discreteMethods/molecularDynamics/mdFoam/nanoNozzle/system/fvSchemes
@@ -17,43 +17,37 @@ FoamFile
 
 ddtSchemes
 {
-    default         Euler;
+    default         none;
 }
 
 gradSchemes
 {
-    default         Gauss linear;
-    grad(p)         Gauss linear;
+    default         none;
 }
 
 divSchemes
 {
     default         none;
-    div(phi,U)      Gauss linear;
 }
 
 laplacianSchemes
 {
     default         none;
-    laplacian(nu,U) Gauss linear corrected;
-    laplacian(1|A(U),p) Gauss linear corrected;
 }
 
 interpolationSchemes
 {
-    default         linear;
-    interpolate(HbyA) linear;
+    default         none;
 }
 
 snGradSchemes
 {
-    default         corrected;
+    default         none;
 }
 
 fluxRequired
 {
     default         no;
-    p               ;
 }
 
 
diff --git a/tutorials/discreteMethods/molecularDynamics/mdEquilibrationFoam/periodicCube/system/mdSolution b/tutorials/discreteMethods/molecularDynamics/mdFoam/nanoNozzle/system/fvSolution
similarity index 89%
rename from tutorials/discreteMethods/molecularDynamics/mdEquilibrationFoam/periodicCube/system/mdSolution
rename to tutorials/discreteMethods/molecularDynamics/mdFoam/nanoNozzle/system/fvSolution
index dfef948901..1e39435250 100644
--- a/tutorials/discreteMethods/molecularDynamics/mdEquilibrationFoam/periodicCube/system/mdSolution
+++ b/tutorials/discreteMethods/molecularDynamics/mdFoam/nanoNozzle/system/fvSolution
@@ -11,13 +11,12 @@ FoamFile
     format      ascii;
     class       dictionary;
     location    "system";
-    object      mdSolution;
+    object      fvSolution;
 }
 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
-integrationMethod verletLeapfrog;
-
-potentialEnergyLimit 5.256e-20;
-
+solvers
+{
+}
 
 // ************************************************************************* //
diff --git a/tutorials/discreteMethods/molecularDynamics/mdFoam/nanoNozzle/system/mdEquilibrationDict b/tutorials/discreteMethods/molecularDynamics/mdFoam/nanoNozzle/system/mdEquilibrationDict
new file mode 100644
index 0000000000..de8cb745e1
--- /dev/null
+++ b/tutorials/discreteMethods/molecularDynamics/mdFoam/nanoNozzle/system/mdEquilibrationDict
@@ -0,0 +1,19 @@
+/*--------------------------------*- C++ -*----------------------------------*\
+| =========                 |                                                 |
+| \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox           |
+|  \\    /   O peration     | Version:  1.5                                   |
+|   \\  /    A nd           | Web:      http://www.OpenFOAM.org               |
+|    \\/     M anipulation  |                                                 |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+    version     2.0;
+    format      ascii;
+    class       dictionary;
+    object      mdEquilibrationDict;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+targetTemperature  298;
+
+// ************************************************************************* //
diff --git a/tutorials/discreteMethods/molecularDynamics/mdFoam/nanoNozzle/system/mdInitialiseDict b/tutorials/discreteMethods/molecularDynamics/mdFoam/nanoNozzle/system/mdInitialiseDict
new file mode 100644
index 0000000000..ac85160f5c
--- /dev/null
+++ b/tutorials/discreteMethods/molecularDynamics/mdFoam/nanoNozzle/system/mdInitialiseDict
@@ -0,0 +1,85 @@
+/*---------------------------------------------------------------------------*\
+| =========                 |                                                 |
+| \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox           |
+|  \\    /   O peration     | Version:  1.3                                   |
+|   \\  /    A nd           | Web:      http://www.openfoam.org               |
+|    \\/     M anipulation  |                                                 |
+\*---------------------------------------------------------------------------*/
+
+FoamFile
+{
+    version         2.0;
+    format          ascii;
+
+    root            "";
+    case            "";
+    instance        "";
+    local           "";
+
+    class           dictionary;
+    object          molConfigDict;
+}
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+// Euler angles, expressed in degrees as phi, theta, psi, see
+// http://mathworld.wolfram.com/EulerAngles.html
+
+sectionA
+{
+    massDensity             980;
+    temperature             298;
+    bulkVelocity            (0.0 0.0 0.0);
+    latticeIds
+    (
+        water
+    );
+    tetherSiteIds           ();
+    latticePositions
+    (
+        (0 0 0)
+    );
+    anchor                  (0 0 0);
+    orientationAngles       (0 0 0);
+    latticeCellShape        (1 1 1);
+}
+
+sectionB
+{
+    massDensity             980;
+    temperature             298;
+    bulkVelocity            (0.0 0.0 0.0);
+    latticeIds
+    (
+        water
+    );
+    tetherSiteIds           ();
+    latticePositions
+    (
+        (0 0 0)
+    );
+    anchor                  (0 0 0);
+    orientationAngles       (0 0 0);
+    latticeCellShape        (1 1 1);
+}
+
+sectionC
+{
+    massDensity             980;
+    temperature             298;
+    bulkVelocity            (0.0 0.0 0.0);
+    latticeIds
+    (
+        water
+    );
+    tetherSiteIds           ();
+    latticePositions
+    (
+        (0 0 0)
+    );
+    anchor                  (0 0 0);
+    orientationAngles       (0 0 0);
+    latticeCellShape        (1 1 1);
+}
+
+// ************************************************************************* //
diff --git a/tutorials/discreteMethods/molecularDynamics/mdFoam/nanoNozzle/system/potentialDict b/tutorials/discreteMethods/molecularDynamics/mdFoam/nanoNozzle/system/potentialDict
new file mode 100644
index 0000000000..25b268e74c
--- /dev/null
+++ b/tutorials/discreteMethods/molecularDynamics/mdFoam/nanoNozzle/system/potentialDict
@@ -0,0 +1,118 @@
+/*--------------------------------*- C++ -*----------------------------------*\
+| =========                 |                                                 |
+| \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox           |
+|  \\    /   O peration     | Version:  1.5                                   |
+|   \\  /    A nd           | Web:      http://www.OpenFOAM.org               |
+|    \\/     M anipulation  |                                                 |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+    version     2.0;
+    format      ascii;
+    class       dictionary;
+    object      potentials;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+// Subdictionaries specifying types of intermolecular potential.
+// Sub-sub dictionaries specify the potentials themselves.
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+// Removal order
+
+// This is the order in which to remove overlapping pairs if more than one
+// type of molecule is present.  The most valuable molecule type is at the
+// right hand end, the molecule that will be removed 1st is 1st on the list.
+// Not all types need to be present, a molecule that is not present is
+// automatically less valuable than any on the list.  For molecules of the
+// same type there is no control over which is removed.
+
+removalOrder ( water );
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+// Potential Energy Limit
+
+// Maximum permissible pair energy allowed at startup.  Used to remove
+// overlapping molecules created during preprocessing.
+
+potentialEnergyLimit 1e-18;
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+// Pair potentials
+
+// If a pair are not present here it is assumed that they do not interact.
+
+// Electrostatic pair interactions are not listed here - they are handled
+// separately.
+
+// If there are r different type of molecules, and a pair force is required
+// between all combinations, then there are C = r(r+1)/2 combinations,
+// i.e. for r = {1,2,3,4}, C = {1,3,6,10} (sum of triangular numbers).
+
+// Pair potentials are specified by the combinaition of their ids,
+// for MOLA and MOLB, "MOLA-MOLB" OR "MOLB-MOLA" is acceptable
+// (strictly OR, both or neither will throw an error)
+
+pair
+{
+    O-O
+    {
+        pairPotential   lennardJones;
+        rCut            1.0e-9;
+        rMin            0.1e-9;
+        dr              1e-13;
+        lennardJonesCoeffs
+        {
+            sigma       3.154e-10;
+            epsilon     1.07690722e-21;
+        }
+        energyScalingFunction   noScaling;
+        writeTables     yes;
+    }
+
+    electrostatic
+    {
+        pairPotential   dampedCoulomb;
+        rCut            1e-9;
+        rMin            2e-11;
+        dr              2e-12;
+        dampedCoulombCoeffs
+        {
+            alpha       2e9;
+        }
+        energyScalingFunction   shiftedForce;
+        writeTables     yes;
+    }
+}
+
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+// Tethering Potentials
+
+tether
+{
+    O
+    {
+        tetherPotential restrainedHarmonicSpring;
+        restrainedHarmonicSpringCoeffs
+        {
+            springConstant  0.277;
+            rR              1.2e-9;
+        }
+    }
+}
+
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+// External Forces
+
+// Bulk external forces (namely gravity) will be specified as forces rather
+// than potentials to allow their direction to be controlled.
+
+external
+{
+    gravity             (0 0 0);
+}
+
+
+// ************************************************************************* //
diff --git a/tutorials/multiphase/compressibleInterFoam/les/depthCharge3D/system/machines b/tutorials/multiphase/compressibleInterFoam/les/depthCharge3D/system/machines
deleted file mode 100644
index 4b24efafd5..0000000000
--- a/tutorials/multiphase/compressibleInterFoam/les/depthCharge3D/system/machines
+++ /dev/null
@@ -1 +0,0 @@
-noisy

From e77c7a9bb6da6afd768b693a0fc311fc1901441e Mon Sep 17 00:00:00 2001
From: andy <andy>
Date: Tue, 30 Jun 2009 09:53:10 +0100
Subject: [PATCH 21/21] code clean-up...

---
 .../BinaryCollisionModel.H                    |  10 +-
 .../bufferedAccumulator/bufferedAccumulator.C |  13 +-
 .../bufferedAccumulatorIO.C                   |   6 +-
 .../correlationFunction/correlationFunction.C |   4 +-
 .../correlationFunction/correlationFunction.H |   5 +-
 .../correlationFunctionIO.C                   |  20 +--
 .../distribution/distribution.C               |  14 +-
 .../distribution/distribution.H               |   3 +-
 .../distribution/distributionIO.C             |  35 -----
 .../directInteractionList.C                   |  93 ++++++++-----
 .../directInteractionList.H                   |   9 +-
 .../directInteractionListI.H                  |   5 -
 .../interactionLists/interactionLists.C       |   1 +
 .../interactionLists/interactionLists.H       |   7 +-
 .../referralLists/receivingReferralList.C     |   6 +-
 .../referralLists/receivingReferralListI.H    |   5 -
 .../referralLists/sendingReferralList.C       |   6 +-
 .../referralLists/sendingReferralListI.H      |   4 -
 .../referredCell/referredCell.C               |  20 +--
 .../referredCell/referredCell.H               |   2 +-
 .../referredCellList/referredCellList.C       | 127 ++++++++++--------
 .../referredCellList/referredCellList.H       |   5 +-
 .../referredMolecule/referredMolecule.C       |   2 -
 .../referredMolecule/referredMolecule.H       |   2 +-
 .../referredMolecule/referredMoleculeI.H      |   3 +-
 .../molecule/mdTools/averageMDFields.H        |  26 ++--
 .../calculateAutoCorrelationFunctions.H       |  19 +--
 .../mdTools/calculateTransportProperties.H    |   8 +-
 .../molecularDynamics/molecule/mdTools/md.H   |  12 +-
 .../mdTools/meanMomentumEnergyAndNMols.H      |   2 +-
 .../molecule/mdTools/resetMDFields.H          |   8 +-
 .../molecule/mdTools/temperatureAndPressure.H |   1 +
 .../molecule/molecule/molecule.H              |   3 +
 .../molecule/molecule/moleculeI.H             |  23 ++--
 .../molecule/molecule/moleculeIO.C            |  59 ++++----
 .../molecule/moleculeCloud/moleculeCloud.C    |   5 +-
 .../molecule/moleculeCloud/moleculeCloud.H    |  16 ++-
 .../molecule/moleculeCloud/moleculeCloudI.H   | 111 ++++++++-------
 .../molecule/reducedUnits/reducedUnits.H      |   2 +-
 .../electrostaticPotential.C                  |   2 -
 .../electrostaticPotential.H                  |   2 +-
 .../basic/energyScalingFunction.C             |   3 +-
 .../basic/energyScalingFunction.H             |   4 +-
 .../basic/newEnergyScalingFunction.C          |   4 +-
 .../derived/doubleSigmoid/doubleSigmoid.C     |  13 +-
 .../derived/doubleSigmoid/doubleSigmoid.H     |   3 +-
 .../derived/noScaling/noScaling.C             |   6 +-
 .../derived/shifted/shifted.C                 |   6 +-
 .../derived/shifted/shifted.H                 |   2 +
 .../derived/shiftedForce/shiftedForce.C       |   6 +-
 .../derived/shiftedForce/shiftedForce.H       |   2 +-
 .../derived/sigmoid/sigmoid.C                 |  14 +-
 .../pairPotential/basic/newPairPotential.C    |   4 +-
 .../pairPotential/basic/pairPotential.H       |   5 +-
 .../pairPotential/basic/pairPotentialIO.C     |  12 +-
 .../pairPotential/derived/azizChen/azizChen.C |  24 ++--
 .../pairPotential/derived/azizChen/azizChen.H |   1 +
 .../pairPotential/derived/coulomb/coulomb.C   |   5 +-
 .../pairPotential/derived/coulomb/coulomb.H   |   3 +-
 .../derived/dampedCoulomb/dampedCoulomb.C     |   7 +-
 .../derived/dampedCoulomb/dampedCoulomb.H     |   7 +-
 .../exponentialRepulsion.C                    |  11 +-
 .../exponentialRepulsion.H                    |   3 +-
 .../derived/lennardJones/lennardJones.C       |   3 +-
 .../derived/lennardJones/lennardJones.H       |   3 +-
 .../derived/maitlandSmith/maitlandSmith.C     |   5 +-
 .../derived/maitlandSmith/maitlandSmith.H     |   3 +-
 .../derived/noInteraction/noInteraction.C     |   3 +-
 .../derived/noInteraction/noInteraction.H     |   2 +-
 .../pairPotentialList/pairPotentialList.C     |   3 +-
 .../pairPotentialList/pairPotentialList.H     |  15 ++-
 .../pairPotentialList/pairPotentialListI.H    |   1 +
 .../potential/potential/potential.H           |   4 +-
 .../potential/potential/potentialI.H          |   2 -
 .../basic/newTetherPotential.C                |  10 +-
 .../tetherPotential/basic/tetherPotential.H   |   2 +-
 .../derived/harmonicSpring/harmonicSpring.H   |   2 +-
 .../derived/pitchForkRing/pitchForkRing.H     |   2 +-
 .../restrainedHarmonicSpring.C                |   9 +-
 .../restrainedHarmonicSpring.H                |   2 +-
 .../tetherPotentialList/tetherPotentialList.C |   1 -
 .../tetherPotentialList/tetherPotentialList.H |   3 +
 82 files changed, 481 insertions(+), 445 deletions(-)
 delete mode 100644 src/lagrangian/molecularDynamics/molecularMeasurements/distribution/distributionIO.C

diff --git a/src/lagrangian/dsmc/submodels/BinaryCollisionModel/BinaryCollisionModel/BinaryCollisionModel.H b/src/lagrangian/dsmc/submodels/BinaryCollisionModel/BinaryCollisionModel/BinaryCollisionModel.H
index 4b422bdd31..0dc8f02ea7 100644
--- a/src/lagrangian/dsmc/submodels/BinaryCollisionModel/BinaryCollisionModel/BinaryCollisionModel.H
+++ b/src/lagrangian/dsmc/submodels/BinaryCollisionModel/BinaryCollisionModel/BinaryCollisionModel.H
@@ -152,26 +152,26 @@ public:
 
 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
-#define makeBinaryCollisionModel(CloudType)                            \
+#define makeBinaryCollisionModel(CloudType)                                   \
                                                                               \
     defineNamedTemplateTypeNameAndDebug                                       \
     (                                                                         \
-        BinaryCollisionModel<CloudType>,                               \
+        BinaryCollisionModel<CloudType>,                                      \
         0                                                                     \
     );                                                                        \
                                                                               \
     defineTemplateRunTimeSelectionTable                                       \
     (                                                                         \
-        BinaryCollisionModel<CloudType>,                               \
+        BinaryCollisionModel<CloudType>,                                      \
         dictionary                                                            \
     );
 
 
-#define makeBinaryCollisionModelType(SS, CloudType, ParcelType)        \
+#define makeBinaryCollisionModelType(SS, CloudType, ParcelType)               \
                                                                               \
     defineNamedTemplateTypeNameAndDebug(SS<CloudType<ParcelType> >, 0);       \
                                                                               \
-    BinaryCollisionModel<CloudType<ParcelType> >::                     \
+    BinaryCollisionModel<CloudType<ParcelType> >::                            \
         adddictionaryConstructorToTable<SS<CloudType<ParcelType> > >          \
             add##SS##CloudType##ParcelType##ConstructorToTable_;
 
diff --git a/src/lagrangian/molecularDynamics/molecularMeasurements/bufferedAccumulator/bufferedAccumulator.C b/src/lagrangian/molecularDynamics/molecularMeasurements/bufferedAccumulator/bufferedAccumulator.C
index 80c930bb02..de7d31fcb5 100644
--- a/src/lagrangian/molecularDynamics/molecularMeasurements/bufferedAccumulator/bufferedAccumulator.C
+++ b/src/lagrangian/molecularDynamics/molecularMeasurements/bufferedAccumulator/bufferedAccumulator.C
@@ -126,6 +126,7 @@ void Foam::bufferedAccumulator<Type>::setSizes
     }
 }
 
+
 template<class Type>
 Foam::label Foam::bufferedAccumulator<Type>::addToBuffers
 (
@@ -184,11 +185,10 @@ Foam::Field<Type> Foam::bufferedAccumulator<Type>::averaged() const
         WarningIn
         (
             "bufferedAccumulator<Type>::averagedbufferedAccumulator() const"
-        )
-        << "Averaged correlation function requested but averagesTaken = "
-        << averagesTaken_
-        << ". Returning empty field."
-        << endl;
+        )   << "Averaged correlation function requested but averagesTaken = "
+            << averagesTaken_
+            << ". Returning empty field."
+            << endl;
 
         return Field<Type>(bufferLength(), pTraits<Type>::zero);
     }
@@ -218,8 +218,7 @@ void Foam::bufferedAccumulator<Type>::operator=
         FatalErrorIn
         (
             "bufferedAccumulator<Type>::operator=(const bufferedAccumulator&)"
-        )
-            << "Attempted assignment to self"
+        )   << "Attempted assignment to self"
             << abort(FatalError);
     }
 
diff --git a/src/lagrangian/molecularDynamics/molecularMeasurements/bufferedAccumulator/bufferedAccumulatorIO.C b/src/lagrangian/molecularDynamics/molecularMeasurements/bufferedAccumulator/bufferedAccumulatorIO.C
index 2de8ccfb11..ec1956a345 100644
--- a/src/lagrangian/molecularDynamics/molecularMeasurements/bufferedAccumulator/bufferedAccumulatorIO.C
+++ b/src/lagrangian/molecularDynamics/molecularMeasurements/bufferedAccumulator/bufferedAccumulatorIO.C
@@ -34,9 +34,9 @@ Foam::Ostream&
 Foam::operator<<(Ostream& os, const bufferedAccumulator<Type>& bA)
 {
 
-    os<< bA.averagesTaken_
-      << static_cast<const List< Field<Type> >&>(bA)
-      << bA.bufferOffsets();
+    os  << bA.averagesTaken_
+        << static_cast<const List< Field<Type> >&>(bA)
+        << bA.bufferOffsets();
 
     // Check state of Ostream
     os.check
diff --git a/src/lagrangian/molecularDynamics/molecularMeasurements/correlationFunction/correlationFunction.C b/src/lagrangian/molecularDynamics/molecularMeasurements/correlationFunction/correlationFunction.C
index adad29b3f1..cce0d86a22 100644
--- a/src/lagrangian/molecularDynamics/molecularMeasurements/correlationFunction/correlationFunction.C
+++ b/src/lagrangian/molecularDynamics/molecularMeasurements/correlationFunction/correlationFunction.C
@@ -138,7 +138,7 @@ void Foam::correlationFunction<Type>::calculateCorrelationFunction
         FatalErrorIn("correlationFunction<Type>::calculateCorrelationFunction")
             << "Trying to supply a Field of length"
             << currentValues.size()
-            <<" to calculate the correlation function.  "
+            << " to calculate the correlation function. "
             << "Expecting a Field of length "
             << measurandFieldSize() << nl
             << abort(FatalError);
@@ -205,7 +205,7 @@ Foam::scalar Foam::correlationFunction<Type>::integral() const
 
     scalar cFIntegral = 0.0;
 
-    for(label v = 0; v < averageCF.size() - 1; v++)
+    for (label v = 0; v < averageCF.size() - 1; v++)
     {
         cFIntegral +=
             0.5
diff --git a/src/lagrangian/molecularDynamics/molecularMeasurements/correlationFunction/correlationFunction.H b/src/lagrangian/molecularDynamics/molecularMeasurements/correlationFunction/correlationFunction.H
index b751d044f7..fe2071aff3 100644
--- a/src/lagrangian/molecularDynamics/molecularMeasurements/correlationFunction/correlationFunction.H
+++ b/src/lagrangian/molecularDynamics/molecularMeasurements/correlationFunction/correlationFunction.H
@@ -155,7 +155,10 @@ public:
     // IOstream Operators
 
         friend Ostream& operator<< <Type>
-        (Ostream&, const correlationFunction<Type>&);
+        (
+            Ostream&,
+            const correlationFunction<Type>&
+        );
 };
 
 
diff --git a/src/lagrangian/molecularDynamics/molecularMeasurements/correlationFunction/correlationFunctionIO.C b/src/lagrangian/molecularDynamics/molecularMeasurements/correlationFunction/correlationFunctionIO.C
index b153227188..aa62cdcaf6 100644
--- a/src/lagrangian/molecularDynamics/molecularMeasurements/correlationFunction/correlationFunctionIO.C
+++ b/src/lagrangian/molecularDynamics/molecularMeasurements/correlationFunction/correlationFunctionIO.C
@@ -34,10 +34,10 @@ bool Foam::correlationFunction<Type>::writeAveraged(Ostream& os) const
 
     forAll(averageCF, v)
     {
-        os<< v*sampleInterval()
-          << token::SPACE
-          << averageCF[v]
-          << nl;
+        os  << v*sampleInterval()
+            << token::SPACE
+            << averageCF[v]
+            << nl;
     }
 
     return os.good();
@@ -51,12 +51,12 @@ Foam::Ostream& Foam::operator<<
     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);
+    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
diff --git a/src/lagrangian/molecularDynamics/molecularMeasurements/distribution/distribution.C b/src/lagrangian/molecularDynamics/molecularMeasurements/distribution/distribution.C
index 8c666939e8..439ed64bdf 100644
--- a/src/lagrangian/molecularDynamics/molecularMeasurements/distribution/distribution.C
+++ b/src/lagrangian/molecularDynamics/molecularMeasurements/distribution/distribution.C
@@ -75,7 +75,7 @@ label distribution::totalEntries() const
                 << "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 "
+                << "round'. Try distribution::approxTotalEntries which "
                 << "returns a scalar." << endl;
 
             sumOfEntries = -1;
@@ -336,8 +336,8 @@ List< Pair<scalar> > distribution::normalisedShifted(const scalar shiftValue)
                    *(oldDist[u].second() - oldDist[u-1].second())
                   +
                     (
-                        oldDist[u-1].second() * oldDist[u].first()
-                      - oldDist[u].second() * oldDist[u-1].first()
+                        oldDist[u-1].second()*oldDist[u].first()
+                      - oldDist[u].second()*oldDist[u-1].first()
                     )
                     /binWidth_;
             }
@@ -348,7 +348,7 @@ List< Pair<scalar> > distribution::normalisedShifted(const scalar shiftValue)
             {
                 newDist[u].second() =
                     (0.5 + scalar(newKey))*-oldDist[u].second()
-                  + oldDist[u].second() * (oldDist[u].first() + binWidth_)
+                  + oldDist[u].second()*(oldDist[u].first() + binWidth_)
                    /binWidth_;
             }
             else
@@ -358,8 +358,8 @@ List< Pair<scalar> > distribution::normalisedShifted(const scalar shiftValue)
                    *(oldDist[u+1].second() - oldDist[u].second())
                   +
                     (
-                        oldDist[u].second() * oldDist[u+1].first()
-                      - oldDist[u+1].second() * oldDist[u].first()
+                        oldDist[u].second()*oldDist[u+1].first()
+                      - oldDist[u+1].second()*oldDist[u].first()
                     )
                    /binWidth_;
             }
@@ -395,7 +395,7 @@ List<Pair<scalar> > distribution::raw()
     {
         label key = keys[k];
 
-        rawDist[k].first() = (0.5 + scalar(key)) * binWidth_;
+        rawDist[k].first() = (0.5 + scalar(key))*binWidth_;
 
         rawDist[k].second() = scalar((*this)[key]);
     }
diff --git a/src/lagrangian/molecularDynamics/molecularMeasurements/distribution/distribution.H b/src/lagrangian/molecularDynamics/molecularMeasurements/distribution/distribution.H
index 363f68a6cf..da1ce973bc 100644
--- a/src/lagrangian/molecularDynamics/molecularMeasurements/distribution/distribution.H
+++ b/src/lagrangian/molecularDynamics/molecularMeasurements/distribution/distribution.H
@@ -30,7 +30,6 @@ Description
 SourceFiles
     distributionI.H
     distribution.C
-    distributionIO.C
 
 \*---------------------------------------------------------------------------*/
 
@@ -46,7 +45,7 @@ namespace Foam
 {
 
 /*---------------------------------------------------------------------------*\
-                           Class distribution Declaration
+                        Class distribution Declaration
 \*---------------------------------------------------------------------------*/
 
 class distribution
diff --git a/src/lagrangian/molecularDynamics/molecularMeasurements/distribution/distributionIO.C b/src/lagrangian/molecularDynamics/molecularMeasurements/distribution/distributionIO.C
deleted file mode 100644
index 7e5a0118f0..0000000000
--- a/src/lagrangian/molecularDynamics/molecularMeasurements/distribution/distributionIO.C
+++ /dev/null
@@ -1,35 +0,0 @@
-/*---------------------------------------------------------------------------*\
-  =========                 |
-  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
-   \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 2008-2009 OpenCFD Ltd.
-     \\/     M anipulation  |
--------------------------------------------------------------------------------
-License
-    This file is part of OpenFOAM.
-
-    OpenFOAM is free software; you can redistribute it and/or modify it
-    under the terms of the GNU General Public License as published by the
-    Free Software Foundation; either version 2 of the License, or (at your
-    option) any later version.
-
-    OpenFOAM is distributed in the hope that it will be useful, but WITHOUT
-    ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
-    FITNESS FOR A PARTICULAR PURPOSE.  See the GNU General Public License
-    for more details.
-
-    You should have received a copy of the GNU General Public License
-    along with OpenFOAM; if not, write to the Free Software Foundation,
-    Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
-
-\*---------------------------------------------------------------------------*/
-
-#include "distribution.H"
-#include "IOstreams.H"
-
-// * * * * * * * * * * * * * * * * Constructors  * * * * * * * * * * * * * * //
-
-// construct from Istream
-
-
-// ************************************************************************* //
diff --git a/src/lagrangian/molecularDynamics/molecule/interactionLists/directInteractionList/directInteractionList.C b/src/lagrangian/molecularDynamics/molecule/interactionLists/directInteractionList/directInteractionList.C
index 6af4e7d5bf..1556db8317 100644
--- a/src/lagrangian/molecularDynamics/molecule/interactionLists/directInteractionList/directInteractionList.C
+++ b/src/lagrangian/molecularDynamics/molecule/interactionLists/directInteractionList/directInteractionList.C
@@ -79,8 +79,12 @@ void Foam::directInteractionList::buildDirectInteractionList
                             {
                                 if
                                 (
-                                    findIndex(directInteractionList[cellI],
-                                    cellJ) == -1
+                                    findIndex
+                                    (
+                                        directInteractionList[cellI],
+                                        cellJ
+                                    )
+                                 == -1
                                 )
                                 {
                                     directInteractionList[cellI].append(cellJ);
@@ -91,8 +95,13 @@ void Foam::directInteractionList::buildDirectInteractionList
                             {
                                 if
                                 (
-                                    findIndex(directInteractionList[cellJ],
-                                    cellI) == -1
+                                    findIndex
+                                    (
+                                        directInteractionList[cellJ],
+                                        cellI
+                                    )
+                                 ==
+                                    -1
                                 )
                                 {
                                     directInteractionList[cellJ].append(cellI);
@@ -109,11 +118,11 @@ void Foam::directInteractionList::buildDirectInteractionList
         Info<< tab << "Point-Face, Edge-Edge direct interaction list build."
             << endl;
 
-        forAll (mesh.points(), p)
+        forAll(mesh.points(), p)
         {
             forAll(mesh.faces(), f)
             {
-                if(il_.testPointFaceDistance(p, f))
+                if (il_.testPointFaceDistance(p, f))
                 {
                     const labelList& pCells(mesh.pointCells()[p]);
 
@@ -129,8 +138,13 @@ void Foam::directInteractionList::buildDirectInteractionList
                         {
                             if
                             (
-                                findIndex(directInteractionList[cellI],
-                                cellO) == -1
+                                findIndex
+                                (
+                                    directInteractionList[cellI],
+                                    cellO
+                                )
+                             ==
+                                -1
                             )
                             {
                                 directInteractionList[cellI].append(cellO);
@@ -141,8 +155,13 @@ void Foam::directInteractionList::buildDirectInteractionList
                         {
                             if
                             (
-                                findIndex(directInteractionList[cellO],
-                                cellI) == -1
+                                findIndex
+                                (
+                                    directInteractionList[cellO],
+                                    cellI
+                                )
+                             ==
+                                -1
                             )
                             {
                                 directInteractionList[cellO].append(cellI);
@@ -160,8 +179,13 @@ void Foam::directInteractionList::buildDirectInteractionList
                             {
                                 if
                                 (
-                                    findIndex(directInteractionList[cellI],
-                                    cellN) == -1
+                                    findIndex
+                                    (
+                                        directInteractionList[cellI],
+                                        cellN
+                                    )
+                                 ==
+                                    -1
                                 )
                                 {
                                     directInteractionList[cellI].append(cellN);
@@ -172,8 +196,13 @@ void Foam::directInteractionList::buildDirectInteractionList
                             {
                                 if
                                 (
-                                    findIndex(directInteractionList[cellN],
-                                    cellI) == -1
+                                    findIndex
+                                    (
+                                        directInteractionList[cellN],
+                                        cellI
+                                    )
+                                 ==
+                                    -1
                                 )
                                 {
                                     directInteractionList[cellN].append(cellI);
@@ -187,7 +216,7 @@ void Foam::directInteractionList::buildDirectInteractionList
 
         label edgeJIndex;
 
-        forAll (mesh.edges(), edgeIIndex)
+        forAll(mesh.edges(), edgeIIndex)
         {
             const edge& eI(mesh.edges()[edgeIIndex]);
 
@@ -218,8 +247,13 @@ void Foam::directInteractionList::buildDirectInteractionList
                             {
                                 if
                                 (
-                                    findIndex(directInteractionList[cellI],
-                                    cellJ) == -1
+                                    findIndex
+                                    (
+                                        directInteractionList[cellI],
+                                        cellJ
+                                    )
+                                 ==
+                                    -1
                                 )
                                 {
                                     directInteractionList[cellI].append(cellJ);
@@ -230,8 +264,13 @@ void Foam::directInteractionList::buildDirectInteractionList
                             {
                                 if
                                 (
-                                    findIndex(directInteractionList[cellJ],
-                                    cellI) == -1
+                                    findIndex
+                                    (
+                                        directInteractionList[cellJ],
+                                        cellI
+                                    )
+                                 ==
+                                    -1
                                 )
                                 {
                                     directInteractionList[cellJ].append(cellI);
@@ -272,11 +311,11 @@ Foam::directInteractionList::directInteractionList
     labelListList(il.mesh().nCells()),
     il_(il)
 {
-    if((*this).size() > 1)
+    if ((*this).size() > 1)
     {
         buildDirectInteractionList(pointPointListBuild);
     }
-    else if((*this).size() == 1)
+    else if ((*this).size() == 1)
     {
         Info<< nl
             << "Single cell mesh, no direct interaction lists required."
@@ -305,16 +344,4 @@ Foam::directInteractionList::~directInteractionList()
 {}
 
 
-// * * * * * * * * * * * * * * * Member Functions  * * * * * * * * * * * * * //
-
-
-// * * * * * * * * * * * * * * * Member Operators  * * * * * * * * * * * * * //
-
-
-// * * * * * * * * * * * * * * * Friend Functions  * * * * * * * * * * * * * //
-
-
-// * * * * * * * * * * * * * * * Friend Operators  * * * * * * * * * * * * * //
-
-
 // ************************************************************************* //
diff --git a/src/lagrangian/molecularDynamics/molecule/interactionLists/directInteractionList/directInteractionList.H b/src/lagrangian/molecularDynamics/molecule/interactionLists/directInteractionList/directInteractionList.H
index 04a957170c..8a85404ca0 100644
--- a/src/lagrangian/molecularDynamics/molecule/interactionLists/directInteractionList/directInteractionList.H
+++ b/src/lagrangian/molecularDynamics/molecule/interactionLists/directInteractionList/directInteractionList.H
@@ -59,6 +59,7 @@ class directInteractionList
 
         const interactionLists& il_;
 
+
     // Private Member Functions
 
         void buildDirectInteractionList
@@ -72,6 +73,7 @@ class directInteractionList
         //- Disallow default bitwise assignment
         void operator=(const directInteractionList&);
 
+
 public:
 
     // Constructors
@@ -89,6 +91,7 @@ public:
             const interactionLists& il
         );
 
+
     // Destructor
 
         ~directInteractionList();
@@ -100,12 +103,6 @@ public:
 
         inline const interactionLists& il() const;
 
-        // Check
-
-        // Edit
-
-        // Write
-
 
     // IOstream Operators
 
diff --git a/src/lagrangian/molecularDynamics/molecule/interactionLists/directInteractionList/directInteractionListI.H b/src/lagrangian/molecularDynamics/molecule/interactionLists/directInteractionList/directInteractionListI.H
index 26529babb6..34c1d65080 100644
--- a/src/lagrangian/molecularDynamics/molecule/interactionLists/directInteractionList/directInteractionListI.H
+++ b/src/lagrangian/molecularDynamics/molecule/interactionLists/directInteractionList/directInteractionListI.H
@@ -24,8 +24,6 @@ License
 
 \*---------------------------------------------------------------------------*/
 
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-
 // * * * * * * * * * * * * * * * Member Functions  * * * * * * * * * * * * * //
 
 inline const Foam::interactionLists& Foam::directInteractionList::il() const
@@ -34,7 +32,4 @@ inline const Foam::interactionLists& Foam::directInteractionList::il() const
 }
 
 
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-
-
 // ************************************************************************* //
diff --git a/src/lagrangian/molecularDynamics/molecule/interactionLists/interactionLists.C b/src/lagrangian/molecularDynamics/molecule/interactionLists/interactionLists.C
index 10985a4cc2..f1036eaa0e 100644
--- a/src/lagrangian/molecularDynamics/molecule/interactionLists/interactionLists.C
+++ b/src/lagrangian/molecularDynamics/molecule/interactionLists/interactionLists.C
@@ -342,6 +342,7 @@ bool Foam::interactionLists::testPointFaceDistance
     );
 }
 
+
 bool Foam::interactionLists::testPointFaceDistance
 (
     const vector& p,
diff --git a/src/lagrangian/molecularDynamics/molecule/interactionLists/interactionLists.H b/src/lagrangian/molecularDynamics/molecule/interactionLists/interactionLists.H
index a8eeb55ddf..744b59b067 100644
--- a/src/lagrangian/molecularDynamics/molecule/interactionLists/interactionLists.H
+++ b/src/lagrangian/molecularDynamics/molecule/interactionLists/interactionLists.H
@@ -52,7 +52,7 @@ namespace Foam
 {
 
 /*---------------------------------------------------------------------------*\
-                           Class interactionLists Declaration
+                       Class interactionLists Declaration
 \*---------------------------------------------------------------------------*/
 
 class interactionLists
@@ -71,6 +71,7 @@ class interactionLists
 
         List<receivingReferralList> cellReceivingReferralLists_;
 
+
     // Private Member Functions
 
         //- Build referralLists which define how to send information
@@ -83,6 +84,7 @@ class interactionLists
         //- Disallow default bitwise assignment
         void operator=(const interactionLists&);
 
+
 public:
 
     // Static data members
@@ -90,6 +92,7 @@ public:
         //- Tolerance for checking that faces on a patch segment
         static scalar transTol;
 
+
     // Constructors
 
         //- Construct and create all information from the mesh
@@ -103,6 +106,7 @@ public:
         //- Construct from file
         interactionLists(const polyMesh& mesh);
 
+
     // Destructor
 
         ~interactionLists();
@@ -177,6 +181,7 @@ public:
                 const labelList& segmentPoints
             ) const;
 
+
         // Access
 
             inline const polyMesh& mesh() const;
diff --git a/src/lagrangian/molecularDynamics/molecule/interactionLists/referralLists/receivingReferralList.C b/src/lagrangian/molecularDynamics/molecule/interactionLists/referralLists/receivingReferralList.C
index e2db2ae6d7..2f646fcba5 100644
--- a/src/lagrangian/molecularDynamics/molecule/interactionLists/referralLists/receivingReferralList.C
+++ b/src/lagrangian/molecularDynamics/molecule/interactionLists/referralLists/receivingReferralList.C
@@ -143,7 +143,7 @@ bool operator==
 
 Foam::Istream& Foam::operator>>(Istream& is, receivingReferralList& rRL)
 {
-    is >> rRL.sourceProc_ >> static_cast<labelListList&>(rRL);
+    is  >> rRL.sourceProc_ >> static_cast<labelListList&>(rRL);
 
     is.check
     (
@@ -160,7 +160,7 @@ Foam::Ostream& Foam::operator<<
     const receivingReferralList& rRL
 )
 {
-    os << rRL.sourceProc() << token::SPACE
+    os  << rRL.sourceProc() << token::SPACE
         << static_cast< const labelListList& >(rRL);
 
     os.check
@@ -171,7 +171,5 @@ Foam::Ostream& Foam::operator<<
     return os;
 }
 
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-
 
 // ************************************************************************* //
diff --git a/src/lagrangian/molecularDynamics/molecule/interactionLists/referralLists/receivingReferralListI.H b/src/lagrangian/molecularDynamics/molecule/interactionLists/referralLists/receivingReferralListI.H
index 56134aca58..084863b01a 100644
--- a/src/lagrangian/molecularDynamics/molecule/interactionLists/referralLists/receivingReferralListI.H
+++ b/src/lagrangian/molecularDynamics/molecule/interactionLists/referralLists/receivingReferralListI.H
@@ -24,8 +24,6 @@ License
 
 \*---------------------------------------------------------------------------*/
 
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-
 // * * * * * * * * * * * * * * * Member Functions  * * * * * * * * * * * * * //
 
 inline Foam::label Foam::receivingReferralList::sourceProc() const
@@ -46,7 +44,4 @@ inline bool operator!=
 }
 
 
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-
-
 // ************************************************************************* //
diff --git a/src/lagrangian/molecularDynamics/molecule/interactionLists/referralLists/sendingReferralList.C b/src/lagrangian/molecularDynamics/molecule/interactionLists/referralLists/sendingReferralList.C
index e0a7737910..6235ddabfa 100644
--- a/src/lagrangian/molecularDynamics/molecule/interactionLists/referralLists/sendingReferralList.C
+++ b/src/lagrangian/molecularDynamics/molecule/interactionLists/referralLists/sendingReferralList.C
@@ -145,7 +145,7 @@ Foam::Istream& Foam::operator>>
     sendingReferralList& sRL
 )
 {
-    is >> sRL.destinationProc_ >> static_cast<labelList&>(sRL);
+    is  >> sRL.destinationProc_ >> static_cast<labelList&>(sRL);
 
     is.check("Istream& operator<<(Istream& f, const sendingReferralList& sRL");
 
@@ -159,7 +159,7 @@ Foam::Ostream& Foam::operator<<
     const sendingReferralList& rL
 )
 {
-    os << rL.destinationProc() << token::SPACE
+    os  << rL.destinationProc() << token::SPACE
         << static_cast< const labelList& >(rL);
 
     os.check("Ostream& operator<<(Ostream& f, const sendingReferralList& rL");
@@ -168,6 +168,4 @@ Foam::Ostream& Foam::operator<<
 }
 
 
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-
 // ************************************************************************* //
diff --git a/src/lagrangian/molecularDynamics/molecule/interactionLists/referralLists/sendingReferralListI.H b/src/lagrangian/molecularDynamics/molecule/interactionLists/referralLists/sendingReferralListI.H
index c6479a14cf..d34ffd3595 100644
--- a/src/lagrangian/molecularDynamics/molecule/interactionLists/referralLists/sendingReferralListI.H
+++ b/src/lagrangian/molecularDynamics/molecule/interactionLists/referralLists/sendingReferralListI.H
@@ -24,8 +24,6 @@ License
 
 \*---------------------------------------------------------------------------*/
 
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-
 // * * * * * * * * * * * * * * * Member Functions  * * * * * * * * * * * * * //
 
 inline Foam::label Foam::sendingReferralList::destinationProc() const
@@ -46,6 +44,4 @@ inline bool operator!=
 }
 
 
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-
 // ************************************************************************* //
diff --git a/src/lagrangian/molecularDynamics/molecule/interactionLists/referredCell/referredCell.C b/src/lagrangian/molecularDynamics/molecule/interactionLists/referredCell/referredCell.C
index d2a0ecd475..225ad5902a 100644
--- a/src/lagrangian/molecularDynamics/molecule/interactionLists/referredCell/referredCell.C
+++ b/src/lagrangian/molecularDynamics/molecule/interactionLists/referredCell/referredCell.C
@@ -38,7 +38,7 @@ void referredCell::setConstructionData
     const label sourceCell
 )
 {
-    // * * * * * * * * * * * Points * * * * * * * * * * *
+    // Points
 
     const labelList& points = mesh.cellPoints()[sourceCell];
 
@@ -51,7 +51,8 @@ void referredCell::setConstructionData
 
     vertexPositions_ = referPositions(sourceCellVertices);
 
-    // * * * * * * * * * * * Edges * * * * * * * * * * *
+
+    // Edges
 
     const labelList& edges = mesh.cellEdges()[sourceCell];
 
@@ -64,7 +65,8 @@ void referredCell::setConstructionData
 
     locallyMapEdgeList(points, sourceCellEdges);
 
-    // * * * * * * * * * * * Faces * * * * * * * * * * *
+
+    // Faces
 
     labelList faces(mesh.cells()[sourceCell]);
 
@@ -383,8 +385,8 @@ bool referredCell::duplicate(const referredCell& refCellDupl) const
     return
     (
         sourceProc_ == refCellDupl.sourceProc()
-        && sourceCell_ == refCellDupl.sourceCell()
-        && mag(offset_ - refCellDupl.offset()) < interactionLists::transTol
+     && sourceCell_ == refCellDupl.sourceCell()
+     && mag(offset_ - refCellDupl.offset()) < interactionLists::transTol
     );
 }
 
@@ -394,8 +396,8 @@ bool referredCell::duplicate(const label procNo,const label nCells) const
     return
     (
         sourceProc_ == procNo
-        && sourceCell_ < nCells
-        && mag(offset_) < interactionLists::transTol
+     && sourceCell_ < nCells
+     && mag(offset_) < interactionLists::transTol
     );
 }
 
@@ -405,7 +407,7 @@ bool referredCell::duplicate(const label procNo,const label nCells) const
 Istream& operator>>(Istream& is, referredCell& rC)
 {
 
-    is >> rC.sourceProc_
+    is  >> rC.sourceProc_
         >> rC.sourceCell_
         >> rC.vertexPositions_
         >> rC.edges_
@@ -424,7 +426,7 @@ Istream& operator>>(Istream& is, referredCell& rC)
 Ostream& operator<<(Ostream& os, const referredCell& rC)
 {
 
-    os << rC.sourceProc()
+    os  << rC.sourceProc()
         << token::SPACE << rC.sourceCell()
         << token::SPACE << rC.vertexPositions()
         << token::SPACE << rC.edges()
diff --git a/src/lagrangian/molecularDynamics/molecule/interactionLists/referredCell/referredCell.H b/src/lagrangian/molecularDynamics/molecule/interactionLists/referredCell/referredCell.H
index 7f2e5bdbe7..666b4f9268 100644
--- a/src/lagrangian/molecularDynamics/molecule/interactionLists/referredCell/referredCell.H
+++ b/src/lagrangian/molecularDynamics/molecule/interactionLists/referredCell/referredCell.H
@@ -53,7 +53,7 @@ namespace Foam
 {
 
 /*---------------------------------------------------------------------------*\
-                           Class referredCell Declaration
+                          Class referredCell Declaration
 \*---------------------------------------------------------------------------*/
 
 class referredCell
diff --git a/src/lagrangian/molecularDynamics/molecule/interactionLists/referredCellList/referredCellList.C b/src/lagrangian/molecularDynamics/molecule/interactionLists/referredCellList/referredCellList.C
index 373385ae4d..2ba95daa18 100644
--- a/src/lagrangian/molecularDynamics/molecule/interactionLists/referredCellList/referredCellList.C
+++ b/src/lagrangian/molecularDynamics/molecule/interactionLists/referredCellList/referredCellList.C
@@ -357,7 +357,7 @@ void Foam::referredCellList::buildReferredCellList
 
     label iterationNo = 0;
 
-    while(cellsReferredThisIteration)
+    while (cellsReferredThisIteration)
     {
         label refIntListStartSize = referredInteractionList.size();
 
@@ -499,7 +499,10 @@ void Foam::referredCellList::buildReferredCellList
                                 (
                                     meshPointsOnThisSegment,
                                     facePoint
-                                ) == -1)
+                                )
+                             ==
+                                -1
+                            )
                             {
                                 meshPointsOnThisSegment.append(facePoint);
                             }
@@ -610,18 +613,20 @@ void Foam::referredCellList::buildReferredCellList
 
                     forAll(referredCellsFoundInRange,cFIR)
                     {
-                        referredCell& existingRefCell = referredInteractionList
-                        [
-                            referredCellsFoundInRange[cFIR]
-                        ];
+                        referredCell& existingRefCell =
+                            referredInteractionList
+                            [
+                                referredCellsFoundInRange[cFIR]
+                            ];
 
-                        referredCell cellToReRefer = existingRefCell.reRefer
-                        (
-                            patch.faceCentres()[0],
-                            patch.faceCentres()[patch.size()/2],
-                            patch.faceNormals()[0],
-                            patch.faceNormals()[patch.size()/2]
-                        );
+                        referredCell cellToReRefer =
+                            existingRefCell.reRefer
+                            (
+                                patch.faceCentres()[0],
+                                patch.faceCentres()[patch.size()/2],
+                                patch.faceNormals()[0],
+                                patch.faceNormals()[patch.size()/2]
+                            );
 
                         // Test all existing referred and real cells to check
                         // duplicates are not being made or cells aren't being
@@ -705,7 +710,9 @@ void Foam::referredCellList::buildReferredCellList
                                 (
                                     meshEdgesOnThisSegment,
                                     faceEdge
-                                ) == -1
+                                )
+                             ==
+                                -1
                             )
                             {
                                 meshEdgesOnThisSegment.append(faceEdge);
@@ -724,7 +731,10 @@ void Foam::referredCellList::buildReferredCellList
                                 (
                                     meshPointsOnThisSegment,
                                     facePoint
-                                ) == -1)
+                                )
+                             ==
+                                -1
+                            )
                             {
                                 meshPointsOnThisSegment.append(facePoint);
                             }
@@ -823,28 +833,30 @@ void Foam::referredCellList::buildReferredCellList
                     referredInteractionList.shrink();
 
                     referredCellsFoundInRange =
-                    il_.referredCellsInRangeOfSegment
-                    (
-                        referredInteractionList,
-                        meshFacesOnThisSegment,
-                        meshEdgesOnThisSegment,
-                        meshPointsOnThisSegment
-                    );
+                        il_.referredCellsInRangeOfSegment
+                        (
+                            referredInteractionList,
+                            meshFacesOnThisSegment,
+                            meshEdgesOnThisSegment,
+                            meshPointsOnThisSegment
+                        );
 
                     forAll(referredCellsFoundInRange,cFIR)
                     {
-                        referredCell& existingRefCell = referredInteractionList
-                        [
-                            referredCellsFoundInRange[cFIR]
-                        ];
+                        referredCell& existingRefCell =
+                            referredInteractionList
+                            [
+                                referredCellsFoundInRange[cFIR]
+                            ];
 
-                        referredCell cellToReRefer = existingRefCell.reRefer
-                        (
-                            patch.faceCentres()[patch.size()/2],
-                            patch.faceCentres()[0],
-                            patch.faceNormals()[patch.size()/2],
-                            patch.faceNormals()[0]
-                        );
+                        referredCell cellToReRefer =
+                            existingRefCell.reRefer
+                            (
+                                patch.faceCentres()[patch.size()/2],
+                                patch.faceCentres()[0],
+                                patch.faceNormals()[patch.size()/2],
+                                patch.faceNormals()[0]
+                            );
 
                         // Test all existing referred and real cells to check
                         // duplicates are not being made or cells aren't being
@@ -901,15 +913,15 @@ void Foam::referredCellList::buildReferredCellList
             forAll(procPatches,pP)
             {
                 const processorPolyPatch& patch =
-                refCast<const processorPolyPatch>
-                (
-                    mesh.boundaryMesh()[procPatches[pP]]
-                );
+                    refCast<const processorPolyPatch>
+                    (
+                        mesh.boundaryMesh()[procPatches[pP]]
+                    );
 
                 DynamicList<referredCell> referredCellsToTransfer;
 
                 const vectorList& neighbFaceCentres =
-                allNeighbourFaceCentres[pP];
+                    allNeighbourFaceCentres[pP];
 
                 const vectorList& neighbFaceAreas = allNeighbourFaceAreas[pP];
 
@@ -971,7 +983,9 @@ void Foam::referredCellList::buildReferredCellList
                                 (
                                     meshEdgesOnThisSegment,
                                     faceEdge
-                                ) == -1
+                                )
+                             ==
+                                -1
                             )
                             {
                                 meshEdgesOnThisSegment.append(faceEdge);
@@ -990,7 +1004,9 @@ void Foam::referredCellList::buildReferredCellList
                                 (
                                     meshPointsOnThisSegment,
                                     facePoint
-                                ) == -1
+                                )
+                             ==
+                                -1
                             )
                             {
                                 meshPointsOnThisSegment.append(facePoint);
@@ -1032,7 +1048,7 @@ void Foam::referredCellList::buildReferredCellList
                             forAll(realCellsFoundInRange,cFIR)
                             {
                                 const label realCell =
-                                realCellsFoundInRange[cFIR];
+                                    realCellsFoundInRange[cFIR];
 
                                 referredCell cellToRefer
                                 (
@@ -1074,19 +1090,20 @@ void Foam::referredCellList::buildReferredCellList
                         forAll(referredCellsFoundInRange,cFIR)
                         {
                             referredCell& existingRefCell =
-                            referredInteractionList
-                            [
-                                referredCellsFoundInRange[cFIR]
-                            ];
+                                referredInteractionList
+                                [
+                                    referredCellsFoundInRange[cFIR]
+                                ];
 
-                            referredCell cellToReRefer = existingRefCell.reRefer
-                            (
-                                patch.faceCentres()[faceT],
-                                neighbFaceCentres[faceT],
-                                patch.faceNormals()[faceT],
-                                neighbFaceAreas[faceT]
-                                /(mag(neighbFaceAreas[faceT]) + VSMALL)
-                            );
+                            referredCell cellToReRefer =
+                                existingRefCell.reRefer
+                                (
+                                    patch.faceCentres()[faceT],
+                                    neighbFaceCentres[faceT],
+                                    patch.faceNormals()[faceT],
+                                    neighbFaceAreas[faceT]
+                                    /(mag(neighbFaceAreas[faceT]) + VSMALL)
+                                );
 
                             referredCellsToTransfer.append(cellToReRefer);
                         }
@@ -1409,6 +1426,7 @@ void Foam::referredCellList::buildReferredCellList
     }
 }
 
+
 // * * * * * * * * * * * * * * * * Constructors  * * * * * * * * * * * * * * //
 
 Foam::referredCellList::referredCellList
@@ -1557,7 +1575,4 @@ void Foam::referredCellList::referMolecules
 }
 
 
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-
-
 // ************************************************************************* //
diff --git a/src/lagrangian/molecularDynamics/molecule/interactionLists/referredCellList/referredCellList.H b/src/lagrangian/molecularDynamics/molecule/interactionLists/referredCellList/referredCellList.H
index 54c137ed53..c8a77cb27f 100644
--- a/src/lagrangian/molecularDynamics/molecule/interactionLists/referredCellList/referredCellList.H
+++ b/src/lagrangian/molecularDynamics/molecule/interactionLists/referredCellList/referredCellList.H
@@ -48,7 +48,7 @@ namespace Foam
 class interactionLists;
 
 /*---------------------------------------------------------------------------*\
-                        Class referredCellList Declaration
+                      Class referredCellList Declaration
 \*---------------------------------------------------------------------------*/
 
 class referredCellList
@@ -59,7 +59,8 @@ class referredCellList
 
         const interactionLists& il_;
 
-        // Private Member Functions
+
+    // Private Member Functions
 
         void buildReferredCellList
         (
diff --git a/src/lagrangian/molecularDynamics/molecule/interactionLists/referredMolecule/referredMolecule.C b/src/lagrangian/molecularDynamics/molecule/interactionLists/referredMolecule/referredMolecule.C
index 1b19d21d7f..c1e2e48769 100644
--- a/src/lagrangian/molecularDynamics/molecule/interactionLists/referredMolecule/referredMolecule.C
+++ b/src/lagrangian/molecularDynamics/molecule/interactionLists/referredMolecule/referredMolecule.C
@@ -83,6 +83,4 @@ Foam::Ostream& Foam::operator<<
 }
 
 
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-
 // ************************************************************************* //
diff --git a/src/lagrangian/molecularDynamics/molecule/interactionLists/referredMolecule/referredMolecule.H b/src/lagrangian/molecularDynamics/molecule/interactionLists/referredMolecule/referredMolecule.H
index 45d342d2ed..27c3c98ee3 100644
--- a/src/lagrangian/molecularDynamics/molecule/interactionLists/referredMolecule/referredMolecule.H
+++ b/src/lagrangian/molecularDynamics/molecule/interactionLists/referredMolecule/referredMolecule.H
@@ -45,7 +45,7 @@ namespace Foam
 {
 
 /*---------------------------------------------------------------------------*\
-                           Class referredMolecule Declaration
+                      Class referredMolecule Declaration
 \*---------------------------------------------------------------------------*/
 
 class referredMolecule
diff --git a/src/lagrangian/molecularDynamics/molecule/interactionLists/referredMolecule/referredMoleculeI.H b/src/lagrangian/molecularDynamics/molecule/interactionLists/referredMolecule/referredMoleculeI.H
index 1b9666f20e..1db2f9a923 100644
--- a/src/lagrangian/molecularDynamics/molecule/interactionLists/referredMolecule/referredMoleculeI.H
+++ b/src/lagrangian/molecularDynamics/molecule/interactionLists/referredMolecule/referredMoleculeI.H
@@ -45,6 +45,7 @@ Foam::referredMolecule::sitePositions() const
     return sitePositions_;
 }
 
+
 // * * * * * * * * * * * * * * * Friend Operators  * * * * * * * * * * * * * //
 
 inline bool Foam::operator==
@@ -71,6 +72,4 @@ inline bool Foam::operator!=
 }
 
 
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-
 // ************************************************************************* //
diff --git a/src/lagrangian/molecularDynamics/molecule/mdTools/averageMDFields.H b/src/lagrangian/molecularDynamics/molecule/mdTools/averageMDFields.H
index 7d03872950..9781c9d70f 100644
--- a/src/lagrangian/molecularDynamics/molecule/mdTools/averageMDFields.H
+++ b/src/lagrangian/molecularDynamics/molecule/mdTools/averageMDFields.H
@@ -56,7 +56,7 @@ if (runTime.outputTime())
 
         forAll(singleSpeciesVelocity, sSV)
         {
-            if(allSpeciesN_RU[v][sSV])
+            if (allSpeciesN_RU[v][sSV])
             {
                 singleSpeciesVelocity[sSV] =
                     allSpeciesVelocitySum_RU[v][sSV]
@@ -78,7 +78,7 @@ if (runTime.outputTime())
 
     forAll(totalVelocity.internalField(), tV)
     {
-        if(totalMass_sum[tV] > VSMALL)
+        if (totalMass_sum[tV] > VSMALL)
         {
             totalVelocity.internalField()[tV] =
                 totalMomentum_sum[tV]
@@ -110,14 +110,13 @@ if (runTime.outputTime())
 
         forAll(singleSpeciesTemp, sST)
         {
-            if(allSpeciesN_RU[t][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]
                         -
                         (
@@ -130,11 +129,10 @@ if (runTime.outputTime())
 
                 totalTemperatureVTerms_sum[sST] +=
                     allSpeciesM_RU[t][sST]
-                    /allSpeciesN_RU[t][sST]
-                    *
-                    (
+                   /allSpeciesN_RU[t][sST]
+                   *(
                         allSpeciesVelocityMagSquaredSum_RU[t][sST]
-                        -
+                      -
                         (
                             allSpeciesVelocitySum_RU[t][sST]
                             &
@@ -187,10 +185,9 @@ if (runTime.outputTime())
             {
                 singleSpeciesMeanKE[sSMKE] =
                     allSpeciesM_RU[mKE][sSMKE]
-                    /allSpeciesN_RU[mKE][sSMKE]
-                    /(2.0 * allSpeciesN_RU[mKE][sSMKE])
-                    *
-                    (
+                   /allSpeciesN_RU[mKE][sSMKE]
+                   /(2.0*allSpeciesN_RU[mKE][sSMKE])
+                   *(
                         allSpeciesVelocityMagSquaredSum_RU[mKE][sSMKE]
                     );
 
@@ -198,8 +195,7 @@ if (runTime.outputTime())
                     allSpeciesM_RU[mKE][sSMKE]
                     /allSpeciesN_RU[mKE][sSMKE]
                     /2.0
-                    *
-                    (
+                   *(
                         allSpeciesVelocityMagSquaredSum_RU[mKE][sSMKE]
                     );
             }
diff --git a/src/lagrangian/molecularDynamics/molecule/mdTools/calculateAutoCorrelationFunctions.H b/src/lagrangian/molecularDynamics/molecule/mdTools/calculateAutoCorrelationFunctions.H
index bc5848475d..968cfa93cb 100644
--- a/src/lagrangian/molecularDynamics/molecule/mdTools/calculateAutoCorrelationFunctions.H
+++ b/src/lagrangian/molecularDynamics/molecule/mdTools/calculateAutoCorrelationFunctions.H
@@ -60,18 +60,15 @@ if (mesh.time().timeIndex() % pacf.sampleSteps() == 0)
     {
         p.x() +=
             mol().mass() * mol().U().y() * mol().U().z()
-            +
-            0.5 * mol().rf().yz();
+          + 0.5*mol().rf().yz();
 
         p.y() +=
             mol().mass() * mol().U().z() * mol().U().x()
-            +
-            0.5 * mol().rf().zx();
+          + 0.5*mol().rf().zx();
 
         p.z() +=
             mol().mass() * mol().U().x() * mol().U().y()
-            +
-            0.5 * mol().rf().xy();
+          + 0.5*mol().rf().xy();
     }
 
     pacf.calculateCorrelationFunction(p);
@@ -93,12 +90,10 @@ if (mesh.time().timeIndex() % hfacf.sampleSteps() == 0)
     {
         s +=
         (
-            0.5 * mol().mass() * magSqr(mol().U())
-            +
-            mol().potentialEnergy()
-        ) * mol().U()
-        +
-        0.5 * ( mol().rf() & mol().U() );
+            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/molecule/mdTools/calculateTransportProperties.H b/src/lagrangian/molecularDynamics/molecule/mdTools/calculateTransportProperties.H
index 74f1db9da7..0ee094ff14 100644
--- a/src/lagrangian/molecularDynamics/molecule/mdTools/calculateTransportProperties.H
+++ b/src/lagrangian/molecularDynamics/molecule/mdTools/calculateTransportProperties.H
@@ -37,7 +37,7 @@ if (writeVacf)
     }
 }
 
-Info << "Diffusion coefficient = "
+Info<< "Diffusion coefficient = "
     << vacf.integral() << endl;
 
 if (writePacf)
@@ -57,13 +57,13 @@ Info<< "Viscosity = "
     << pacf.integral()/averageTemperature/moleculeCloud::kb/meshVolume
     << endl;
 
-if(writeHFacf)
+if (writeHFacf)
 {
     OFstream hfacfFile
     (
         runTime.path()/ + "hfacf"
     );
-    
+
     if (!hfacf.writeAveraged(hfacfFile))
     {
         FatalErrorIn(args.executable())
@@ -73,7 +73,7 @@ if(writeHFacf)
     }
 }
 
-Info << "Thermal conductivity = "
+Info<< "Thermal conductivity = "
     << hfacf.integral()
         /averageTemperature
         /averageTemperature
diff --git a/src/lagrangian/molecularDynamics/molecule/mdTools/md.H b/src/lagrangian/molecularDynamics/molecule/mdTools/md.H
index ae4ab08124..9a079764ae 100644
--- a/src/lagrangian/molecularDynamics/molecule/mdTools/md.H
+++ b/src/lagrangian/molecularDynamics/molecule/mdTools/md.H
@@ -1,11 +1,9 @@
 #ifndef md_H
 #define md_H
-
-#   include "potential.H"
-#   include "moleculeCloud.H"
-#   include "correlationFunction.H"
-#   include "distribution.H"
-#   include "reducedUnits.H"
-
+    #include "potential.H"
+    #include "moleculeCloud.H"
+    #include "correlationFunction.H"
+    #include "distribution.H"
+    #include "reducedUnits.H"
 #endif
 
diff --git a/src/lagrangian/molecularDynamics/molecule/mdTools/meanMomentumEnergyAndNMols.H b/src/lagrangian/molecularDynamics/molecule/mdTools/meanMomentumEnergyAndNMols.H
index 827ff3ffc2..fb5118bb5a 100644
--- a/src/lagrangian/molecularDynamics/molecule/mdTools/meanMomentumEnergyAndNMols.H
+++ b/src/lagrangian/molecularDynamics/molecule/mdTools/meanMomentumEnergyAndNMols.H
@@ -186,7 +186,7 @@ if (singleStepNMols)
 }
 else
 {
-    Info << "No molecules in system" << endl;
+    Info<< "No molecules in system" << endl;
 }
 
 
diff --git a/src/lagrangian/molecularDynamics/molecule/mdTools/resetMDFields.H b/src/lagrangian/molecularDynamics/molecule/mdTools/resetMDFields.H
index ff274a3336..af0197b5fe 100644
--- a/src/lagrangian/molecularDynamics/molecule/mdTools/resetMDFields.H
+++ b/src/lagrangian/molecularDynamics/molecule/mdTools/resetMDFields.H
@@ -3,24 +3,24 @@ if (runTime.outputTime())
     allSpeciesN_RU = List< scalarField >
     (
         molecules.potential().nIds(),
-        scalarField (mesh.nCells(), 0.0)
+        scalarField(mesh.nCells(), 0.0)
     );
 
     allSpeciesM_RU = List< scalarField >
     (
         molecules.potential().nIds(),
-        scalarField (mesh.nCells(), 0.0)
+        scalarField(mesh.nCells(), 0.0)
     );
 
     allSpeciesVelocitySum_RU = List< vectorField >
     (
         molecules.potential().nIds(),
-        vectorField (mesh.nCells(), vector::zero)
+        vectorField(mesh.nCells(), vector::zero)
     );
 
     allSpeciesVelocityMagSquaredSum_RU = List< scalarField >
     (
         molecules.potential().nIds(),
-        scalarField (mesh.nCells(), 0.0)
+        scalarField(mesh.nCells(), 0.0)
     );
 }
diff --git a/src/lagrangian/molecularDynamics/molecule/mdTools/temperatureAndPressure.H b/src/lagrangian/molecularDynamics/molecule/mdTools/temperatureAndPressure.H
index cd02fcce08..788763b163 100644
--- a/src/lagrangian/molecularDynamics/molecule/mdTools/temperatureAndPressure.H
+++ b/src/lagrangian/molecularDynamics/molecule/mdTools/temperatureAndPressure.H
@@ -110,4 +110,5 @@ if (runTime.outputTime())
     accumulatedDOFs = 0;
 }
 
+
 // ************************************************************************* //
diff --git a/src/lagrangian/molecularDynamics/molecule/molecule/molecule.H b/src/lagrangian/molecularDynamics/molecule/molecule/molecule.H
index 538d4f340c..ef2de145c4 100644
--- a/src/lagrangian/molecularDynamics/molecule/molecule/molecule.H
+++ b/src/lagrangian/molecularDynamics/molecule/molecule/molecule.H
@@ -108,6 +108,7 @@ public:
 
             bool linearMoleculeTest() const;
 
+
     public:
 
         inline constantProperties();
@@ -214,6 +215,7 @@ private:
 
         List<vector> sitePositions_;
 
+
     // Private Member Functions
 
         tensor rotationTensorX(scalar deltaT) const;
@@ -222,6 +224,7 @@ private:
 
         tensor rotationTensorZ(scalar deltaT) const;
 
+
 public:
 
     friend class Cloud<molecule>;
diff --git a/src/lagrangian/molecularDynamics/molecule/molecule/moleculeI.H b/src/lagrangian/molecularDynamics/molecule/molecule/moleculeI.H
index 743d45b7f9..447a04e4ea 100644
--- a/src/lagrangian/molecularDynamics/molecule/molecule/moleculeI.H
+++ b/src/lagrangian/molecularDynamics/molecule/molecule/moleculeI.H
@@ -119,10 +119,8 @@ inline Foam::molecule::constantProperties::constantProperties
         {
             const vector& p(siteReferencePositions_[i]);
 
-            momOfInertia += siteMasses_[i]*diagTensor
-            (
-                0, p.x()*p.x(), p.x()*p.x()
-            );
+            momOfInertia +=
+                siteMasses_[i]*diagTensor(0, p.x()*p.x(), p.x()*p.x());
         }
 
         momentOfInertia_ = diagTensor
@@ -156,8 +154,7 @@ inline Foam::molecule::constantProperties::constantProperties
         {
             FatalErrorIn("molecule::constantProperties::constantProperties")
                 << "An eigenvalue of the inertia tensor is zero, the molecule "
-                << dict.name()
-                << " is not a valid 6DOF shape."
+                << dict.name() << " is not a valid 6DOF shape."
                 << nl << abort(FatalError);
         }
 
@@ -172,7 +169,7 @@ inline Foam::molecule::constantProperties::constantProperties
         // global axes
 
         tensor Q =
-        vector(1,0,0)*e.x() + vector(0,1,0)*e.y() + vector(0,0,1)*e.z();
+            vector(1,0,0)*e.x() + vector(0,1,0)*e.y() + vector(0,0,1)*e.z();
 
         // Transform the site positions
 
@@ -379,7 +376,7 @@ inline bool Foam::molecule::constantProperties::pairPotentialSite
 {
     label s = findIndex(siteIds_, sId);
 
-    if(s == -1)
+    if (s == -1)
     {
         FatalErrorIn("moleculeI.H") << nl
             << sId << " site not found."
@@ -403,10 +400,12 @@ inline bool Foam::molecule::constantProperties::electrostaticSite
 {
     label s = findIndex(siteIds_, sId);
 
-    if(s == -1)
+    if (s == -1)
     {
-        FatalErrorIn("moleculeI.H") << nl
-            << sId << " site not found."
+        FatalErrorIn
+        (
+            "molecule::constantProperties::electrostaticSite(label)"
+        )   << sId << " site not found."
             << nl << abort(FatalError);
     }
 
@@ -616,6 +615,4 @@ inline Foam::label Foam::molecule::id() const
 }
 
 
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-
 // ************************************************************************* //
diff --git a/src/lagrangian/molecularDynamics/molecule/molecule/moleculeIO.C b/src/lagrangian/molecularDynamics/molecule/molecule/moleculeIO.C
index f43b4aac6e..04ae825df5 100644
--- a/src/lagrangian/molecularDynamics/molecule/molecule/moleculeIO.C
+++ b/src/lagrangian/molecularDynamics/molecule/molecule/moleculeIO.C
@@ -55,16 +55,16 @@ Foam::molecule::molecule
     {
         if (is.format() == IOstream::ASCII)
         {
-            is >> Q_;
-            is >> v_;
-            is >> a_;
-            is >> pi_;
-            is >> tau_;
-            is >> siteForces_;
-            is >> sitePositions_;
-            is >> specialPosition_;
+            is  >> Q_;
+            is  >> v_;
+            is  >> a_;
+            is  >> pi_;
+            is  >> tau_;
+            is  >> siteForces_;
+            is  >> sitePositions_;
+            is  >> specialPosition_;
             potentialEnergy_ = readScalar(is);
-            is >> rf_;
+            is  >> rf_;
             special_ = readLabel(is);
             id_ = readLabel(is);
         }
@@ -74,18 +74,18 @@ Foam::molecule::molecule
             (
                 reinterpret_cast<char*>(&Q_),
                 sizeof(Q_)
-                + sizeof(v_)
-                + sizeof(a_)
-                + sizeof(pi_)
-                + sizeof(tau_)
-                + sizeof(specialPosition_)
-                + sizeof(potentialEnergy_)
-                + sizeof(rf_)
-                + sizeof(special_)
-                + sizeof(id_)
+              + sizeof(v_)
+              + sizeof(a_)
+              + sizeof(pi_)
+              + sizeof(tau_)
+              + sizeof(specialPosition_)
+              + sizeof(potentialEnergy_)
+              + sizeof(rf_)
+              + sizeof(special_)
+              + sizeof(id_)
             );
 
-            is >> siteForces_ >> sitePositions_;
+            is  >> siteForces_ >> sitePositions_;
         }
     }
 
@@ -176,6 +176,7 @@ void Foam::molecule::writeFields(const moleculeCloud& mC)
         mC.fieldIOobject("piGlobal", IOobject::NO_READ),
         np
     );
+
     IOField<vector> tauGlobal
     (
         mC.fieldIOobject("tauGlobal", IOobject::NO_READ),
@@ -276,17 +277,17 @@ Foam::Ostream& Foam::operator<<(Ostream& os, const molecule& mol)
         (
             reinterpret_cast<const char*>(&mol.Q_),
             sizeof(mol.Q_)
-            + sizeof(mol.v_)
-            + sizeof(mol.a_)
-            + sizeof(mol.pi_)
-            + sizeof(mol.tau_)
-            + sizeof(mol.specialPosition_)
-            + sizeof(mol.potentialEnergy_)
-            + sizeof(mol.rf_)
-            + sizeof(mol.special_)
-            + sizeof(mol.id_)
+          + sizeof(mol.v_)
+          + sizeof(mol.a_)
+          + sizeof(mol.pi_)
+          + sizeof(mol.tau_)
+          + sizeof(mol.specialPosition_)
+          + sizeof(mol.potentialEnergy_)
+          + sizeof(mol.rf_)
+          + sizeof(mol.special_)
+          + sizeof(mol.id_)
         );
-        os << mol.siteForces_ << mol.sitePositions_;
+        os  << mol.siteForces_ << mol.sitePositions_;
     }
 
     // Check state of Ostream
diff --git a/src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloud.C b/src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloud.C
index e69f1dfa5d..b747373e3a 100644
--- a/src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloud.C
+++ b/src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloud.C
@@ -928,7 +928,6 @@ void Foam::moleculeCloud::initialiseMolecules
 
                     n++;
                 }
-
             }
         }
     }
@@ -1177,7 +1176,7 @@ void Foam::moleculeCloud::writeXYZ(const fileName& fName) const
 {
     OFstream str(fName);
 
-    str<< nSites() << nl << "moleculeCloud site positions in angstroms" << nl;
+    str << nSites() << nl << "moleculeCloud site positions in angstroms" << nl;
 
     const_iterator mol(this->begin());
 
@@ -1189,7 +1188,7 @@ void Foam::moleculeCloud::writeXYZ(const fileName& fName) const
         {
             const point& sP = mol().sitePositions()[i];
 
-            str<< pot_.siteIdList()[cP.siteIds()[i]]
+            str << pot_.siteIdList()[cP.siteIds()[i]]
                 << ' ' << sP.x()*1e10
                 << ' ' << sP.y()*1e10
                 << ' ' << sP.z()*1e10
diff --git a/src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloud.H b/src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloud.H
index 719605a89c..6863227c12 100644
--- a/src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloud.H
+++ b/src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloud.H
@@ -52,7 +52,7 @@ namespace Foam
 {
 
 /*---------------------------------------------------------------------------*\
-                           Class moleculeCloud Declaration
+                       Class moleculeCloud Declaration
 \*---------------------------------------------------------------------------*/
 
 class moleculeCloud
@@ -76,6 +76,7 @@ private:
 
         Random rndGen_;
 
+
     // Private Member Functions
 
         void buildConstProps();
@@ -163,6 +164,7 @@ public:
 
         static scalar vacuumPermittivity;
 
+
     // Constructors
 
         //- Construct given mesh and potential references
@@ -180,8 +182,8 @@ public:
             const IOdictionary& mdInitialiseDict
         );
 
-    // Member Functions
 
+    // Member Functions
 
         //- Evolve the molecules (move, calculate forces, control state etc)
         void evolve();
@@ -194,6 +196,7 @@ public:
             const scalar measuredTemperature
         );
 
+
         // Access
 
             inline const polyMesh& mesh() const;
@@ -207,19 +210,18 @@ public:
             inline const List<molecule::constantProperties> constProps() const;
 
             inline const molecule::constantProperties&
-            constProps(label id) const;
+                constProps(label id) const;
 
             inline Random& rndGen();
 
+
     // Member Operators
 
         //- Write fields
-
-            void writeFields() const;
+        void writeFields() const;
 
         //- Write molecule sites in XYZ format
-
-            void writeXYZ(const fileName& fName) const;
+        void writeXYZ(const fileName& fName) const;
 };
 
 
diff --git a/src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloudI.H b/src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloudI.H
index acc3348044..94c9f49286 100644
--- a/src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloudI.H
+++ b/src/lagrangian/molecularDynamics/molecule/moleculeCloud/moleculeCloudI.H
@@ -32,9 +32,9 @@ inline void Foam::moleculeCloud::evaluatePair
     molecule* molJ
 )
 {
-    const pairPotentialList& pairPot(pot_.pairPotentials());
+    const pairPotentialList& pairPot = pot_.pairPotentials();
 
-    const pairPotential& electrostatic(pairPot.electrostatic());
+    const pairPotential& electrostatic = pairPot.electrostatic();
 
     label idI = molI->id();
 
@@ -67,7 +67,7 @@ inline void Foam::moleculeCloud::evaluatePair
             if (pairPotentialSitesI[sI] && pairPotentialSitesJ[sJ])
             {
                 vector rsIsJ =
-                molI->sitePositions()[sI] - molJ->sitePositions()[sJ];
+                    molI->sitePositions()[sI] - molJ->sitePositions()[sJ];
 
                 scalar rsIsJMagSq = magSqr(rsIsJ);
 
@@ -75,8 +75,9 @@ inline void Foam::moleculeCloud::evaluatePair
                 {
                     scalar rsIsJMag = mag(rsIsJ);
 
-                    vector fsIsJ = (rsIsJ/rsIsJMag)
-                    *pairPot.force(idsI, idsJ, rsIsJMag);
+                    vector fsIsJ =
+                        (rsIsJ/rsIsJMag)
+                       *pairPot.force(idsI, idsJ, rsIsJMag);
 
                     molI->siteForces()[sI] += fsIsJ;
 
@@ -94,7 +95,7 @@ inline void Foam::moleculeCloud::evaluatePair
                     vector rIJ = molI->position() - molJ->position();
 
                     tensor virialContribution =
-                    (rsIsJ * fsIsJ)*(rsIsJ & rIJ)/rsIsJMagSq;
+                        (rsIsJ*fsIsJ)*(rsIsJ & rIJ)/rsIsJMagSq;
 
                     molI->rf() += virialContribution;
 
@@ -121,15 +122,17 @@ inline void Foam::moleculeCloud::evaluatePair
 
                     scalar chargeJ = constPropJ.siteCharges()[sJ];
 
-                    vector fsIsJ = (rsIsJ/rsIsJMag)
-                    *chargeI*chargeJ*electrostatic.force(rsIsJMag);
+                    vector fsIsJ =
+                        (rsIsJ/rsIsJMag)
+                       *chargeI*chargeJ*electrostatic.force(rsIsJMag);
 
                     molI->siteForces()[sI] += fsIsJ;
 
                     molJ->siteForces()[sJ] += -fsIsJ;
 
-                    scalar potentialEnergy = chargeI*chargeJ
-                    *electrostatic.energy(rsIsJMag);
+                    scalar potentialEnergy =
+                        chargeI*chargeJ
+                       *electrostatic.energy(rsIsJMag);
 
                     molI->potentialEnergy() += 0.5*potentialEnergy;
 
@@ -138,7 +141,7 @@ inline void Foam::moleculeCloud::evaluatePair
                     vector rIJ = molI->position() - molJ->position();
 
                     tensor virialContribution =
-                    (rsIsJ * fsIsJ)*(rsIsJ & rIJ)/rsIsJMagSq;
+                        (rsIsJ*fsIsJ)*(rsIsJ & rIJ)/rsIsJMagSq;
 
                     molI->rf() += virialContribution;
 
@@ -153,15 +156,16 @@ inline void Foam::moleculeCloud::evaluatePair
     }
 }
 
+
 inline void Foam::moleculeCloud::evaluatePair
 (
     molecule* molReal,
     referredMolecule* molRef
 )
 {
-    const pairPotentialList& pairPot(pot_.pairPotentials());
+    const pairPotentialList& pairPot = pot_.pairPotentials();
 
-    const pairPotential& electrostatic(pairPot.electrostatic());
+    const pairPotential& electrostatic = pairPot.electrostatic();
 
     label idReal = molReal->id();
 
@@ -194,16 +198,18 @@ inline void Foam::moleculeCloud::evaluatePair
             if (pairPotentialSitesReal[sReal] && pairPotentialSitesRef[sRef])
             {
                 vector rsRealsRef =
-                molReal->sitePositions()[sReal] - molRef->sitePositions()[sRef];
+                    molReal->sitePositions()[sReal]
+                  - molRef->sitePositions()[sRef];
 
                 scalar rsRealsRefMagSq = magSqr(rsRealsRef);
 
-                if(pairPot.rCutSqr(idsReal, idsRef, rsRealsRefMagSq))
+                if (pairPot.rCutSqr(idsReal, idsRef, rsRealsRefMagSq))
                 {
                     scalar rsRealsRefMag = mag(rsRealsRef);
 
-                    vector fsRealsRef = (rsRealsRef/rsRealsRefMag)
-                    *pairPot.force(idsReal, idsRef, rsRealsRefMag);
+                    vector fsRealsRef =
+                        (rsRealsRef/rsRealsRefMag)
+                       *pairPot.force(idsReal, idsRef, rsRealsRefMag);
 
                     molReal->siteForces()[sReal] += fsRealsRef;
 
@@ -216,9 +222,10 @@ inline void Foam::moleculeCloud::evaluatePair
 
                     vector rRealRef = molReal->position() - molRef->position();
 
-                    molReal->rf() += (rsRealsRef * fsRealsRef)
-                    *(rsRealsRef & rRealRef)
-                    /rsRealsRefMagSq;
+                    molReal->rf() +=
+                        (rsRealsRef*fsRealsRef)
+                       *(rsRealsRef & rRealRef)
+                       /rsRealsRefMagSq;
 
                     // molReal->rf() += rsRealsRef * fsRealsRef;
 
@@ -228,11 +235,12 @@ inline void Foam::moleculeCloud::evaluatePair
             if (electrostaticSitesReal[sReal] && electrostaticSitesRef[sRef])
             {
                 vector rsRealsRef =
-                molReal->sitePositions()[sReal] - molRef->sitePositions()[sRef];
+                    molReal->sitePositions()[sReal]
+                  - molRef->sitePositions()[sRef];
 
                 scalar rsRealsRefMagSq = magSqr(rsRealsRef);
 
-                if(rsRealsRefMagSq <= electrostatic.rCutSqr())
+                if (rsRealsRefMagSq <= electrostatic.rCutSqr())
                 {
                     scalar rsRealsRefMag = mag(rsRealsRef);
 
@@ -240,22 +248,25 @@ inline void Foam::moleculeCloud::evaluatePair
 
                     scalar chargeRef = constPropRef.siteCharges()[sRef];
 
-                    vector fsRealsRef = (rsRealsRef/rsRealsRefMag)
-                    *chargeReal*chargeRef
-                    *electrostatic.force(rsRealsRefMag);
+                    vector fsRealsRef =
+                        (rsRealsRef/rsRealsRefMag)
+                       *chargeReal*chargeRef
+                       *electrostatic.force(rsRealsRefMag);
 
                     molReal->siteForces()[sReal] += fsRealsRef;
 
-                    scalar potentialEnergy = chargeReal*chargeRef
-                    *electrostatic.energy(rsRealsRefMag);
+                    scalar potentialEnergy =
+                        chargeReal*chargeRef
+                       *electrostatic.energy(rsRealsRefMag);
 
                     molReal->potentialEnergy() += 0.5*potentialEnergy;
 
                     vector rRealRef = molReal->position() - molRef->position();
 
-                    molReal->rf() += (rsRealsRef * fsRealsRef)
-                    *(rsRealsRef & rRealRef)
-                    /rsRealsRefMagSq;
+                    molReal->rf() +=
+                        (rsRealsRef*fsRealsRef)
+                       *(rsRealsRef & rRealRef)
+                       /rsRealsRefMagSq;
 
                     // molReal->rf() += rsRealsRef * fsRealsRef;
                 }
@@ -271,9 +282,9 @@ inline bool Foam::moleculeCloud::evaluatePotentialLimit
     molecule* molJ
 ) const
 {
-    const pairPotentialList& pairPot(pot_.pairPotentials());
+    const pairPotentialList& pairPot = pot_.pairPotentials();
 
-    const pairPotential& electrostatic(pairPot.electrostatic());
+    const pairPotential& electrostatic = pairPot.electrostatic();
 
     label idI = molI->id();
 
@@ -306,11 +317,11 @@ inline bool Foam::moleculeCloud::evaluatePotentialLimit
             if (pairPotentialSitesI[sI] && pairPotentialSitesJ[sJ])
             {
                 vector rsIsJ =
-                molI->sitePositions()[sI] - molJ->sitePositions()[sJ];
+                    molI->sitePositions()[sI] - molJ->sitePositions()[sJ];
 
                 scalar rsIsJMagSq = magSqr(rsIsJ);
 
-                if(pairPot.rCutSqr(idsI, idsJ, rsIsJMagSq))
+                if (pairPot.rCutSqr(idsI, idsJ, rsIsJMagSq))
                 {
                     scalar rsIsJMag = mag(rsIsJ);
 
@@ -321,7 +332,7 @@ inline bool Foam::moleculeCloud::evaluatePotentialLimit
                     if (rsIsJMag < SMALL)
                     {
                         WarningIn("moleculeCloud::removeHighEnergyOverlaps()")
-                        << "Molecule site pair closer than "
+                            << "Molecule site pair closer than "
                             << SMALL
                             << ": mag separation = " << rsIsJMag
                             << ". These may have been placed on top of each"
@@ -355,11 +366,11 @@ inline bool Foam::moleculeCloud::evaluatePotentialLimit
             if (electrostaticSitesI[sI] && electrostaticSitesJ[sJ])
             {
                 vector rsIsJ =
-                molI->sitePositions()[sI] - molJ->sitePositions()[sJ];
+                    molI->sitePositions()[sI] - molJ->sitePositions()[sJ];
 
                 scalar rsIsJMagSq = magSqr(rsIsJ);
 
-                if(pairPot.rCutMaxSqr(rsIsJMagSq))
+                if (pairPot.rCutMaxSqr(rsIsJMagSq))
                 {
                     scalar rsIsJMag = mag(rsIsJ);
 
@@ -370,7 +381,7 @@ inline bool Foam::moleculeCloud::evaluatePotentialLimit
                     if (rsIsJMag < SMALL)
                     {
                         WarningIn("moleculeCloud::removeHighEnergyOverlaps()")
-                        << "Molecule site pair closer than "
+                            << "Molecule site pair closer than "
                             << SMALL
                             << ": mag separation = " << rsIsJMag
                             << ". These may have been placed on top of each"
@@ -414,9 +425,9 @@ inline bool Foam::moleculeCloud::evaluatePotentialLimit
     referredMolecule* molRef
 ) const
 {
-    const pairPotentialList& pairPot(pot_.pairPotentials());
+    const pairPotentialList& pairPot = pot_.pairPotentials();
 
-    const pairPotential& electrostatic(pairPot.electrostatic());
+    const pairPotential& electrostatic = pairPot.electrostatic();
 
     label idReal = molReal->id();
 
@@ -449,11 +460,12 @@ inline bool Foam::moleculeCloud::evaluatePotentialLimit
             if (pairPotentialSitesReal[sReal] && pairPotentialSitesRef[sRef])
             {
                 vector rsRealsRef =
-                molReal->sitePositions()[sReal] - molRef->sitePositions()[sRef];
+                    molReal->sitePositions()[sReal]
+                  - molRef->sitePositions()[sRef];
 
                 scalar rsRealsRefMagSq = magSqr(rsRealsRef);
 
-                if(pairPot.rCutSqr(idsReal, idsRef, rsRealsRefMagSq))
+                if (pairPot.rCutSqr(idsReal, idsRef, rsRealsRefMagSq))
                 {
                     scalar rsRealsRefMag = mag(rsRealsRef);
 
@@ -464,7 +476,7 @@ inline bool Foam::moleculeCloud::evaluatePotentialLimit
                     if (rsRealsRefMag < SMALL)
                     {
                         WarningIn("moleculeCloud::removeHighEnergyOverlaps()")
-                        << "Molecule site pair closer than "
+                            << "Molecule site pair closer than "
                             << SMALL
                             << ": mag separation = " << rsRealsRefMag
                             << ". These may have been placed on top of each"
@@ -499,11 +511,12 @@ inline bool Foam::moleculeCloud::evaluatePotentialLimit
             if (electrostaticSitesReal[sReal] && electrostaticSitesRef[sRef])
             {
                 vector rsRealsRef =
-                molReal->sitePositions()[sReal] - molRef->sitePositions()[sRef];
+                    molReal->sitePositions()[sReal]
+                  - molRef->sitePositions()[sRef];
 
                 scalar rsRealsRefMagSq = magSqr(rsRealsRef);
 
-                if(pairPot.rCutMaxSqr(rsRealsRefMagSq))
+                if (pairPot.rCutMaxSqr(rsRealsRefMagSq))
                 {
                     scalar rsRealsRefMag = mag(rsRealsRef);
 
@@ -514,7 +527,7 @@ inline bool Foam::moleculeCloud::evaluatePotentialLimit
                     if (rsRealsRefMag < SMALL)
                     {
                         WarningIn("moleculeCloud::removeHighEnergyOverlaps()")
-                        << "Molecule site pair closer than "
+                            << "Molecule site pair closer than "
                             << SMALL
                             << ": mag separation = " << rsRealsRefMag
                             << ". These may have been placed on top of each"
@@ -539,8 +552,9 @@ inline bool Foam::moleculeCloud::evaluatePotentialLimit
                     (
                         mag
                         (
-                            chargeReal*chargeRef
-                            *electrostatic.energy(rsRealsRefMag)
+                            chargeReal
+                           *chargeRef
+                           *electrostatic.energy(rsRealsRefMag)
                         )
                       > pot_.potentialEnergyLimit()
                     )
@@ -599,6 +613,7 @@ inline Foam::vector Foam::moleculeCloud::equipartitionAngularMomentum
     }
 }
 
+
 // * * * * * * * * * * * * * * * Member Functions  * * * * * * * * * * * * * //
 
 inline const Foam::polyMesh& Foam::moleculeCloud::mesh() const
diff --git a/src/lagrangian/molecularDynamics/molecule/reducedUnits/reducedUnits.H b/src/lagrangian/molecularDynamics/molecule/reducedUnits/reducedUnits.H
index cce0c725f1..acefe4b815 100644
--- a/src/lagrangian/molecularDynamics/molecule/reducedUnits/reducedUnits.H
+++ b/src/lagrangian/molecularDynamics/molecule/reducedUnits/reducedUnits.H
@@ -46,7 +46,7 @@ namespace Foam
 {
 
 /*---------------------------------------------------------------------------*\
-                           Class reducedUnits Declaration
+                         Class reducedUnits Declaration
 \*---------------------------------------------------------------------------*/
 
 class reducedUnits
diff --git a/src/lagrangian/molecularDynamics/potential/electrostaticPotential/electrostaticPotential.C b/src/lagrangian/molecularDynamics/potential/electrostaticPotential/electrostaticPotential.C
index bc0f50a944..1dff432741 100644
--- a/src/lagrangian/molecularDynamics/potential/electrostaticPotential/electrostaticPotential.C
+++ b/src/lagrangian/molecularDynamics/potential/electrostaticPotential/electrostaticPotential.C
@@ -27,8 +27,6 @@ License
 #include "electrostaticPotential.H"
 #include "mathematicalConstants.H"
 
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-
 // * * * * * * * * * * * * * * * * Constructors  * * * * * * * * * * * * * * //
 
 Foam::electrostaticPotential::electrostaticPotential()
diff --git a/src/lagrangian/molecularDynamics/potential/electrostaticPotential/electrostaticPotential.H b/src/lagrangian/molecularDynamics/potential/electrostaticPotential/electrostaticPotential.H
index cee15d771b..d2c4bb88b9 100644
--- a/src/lagrangian/molecularDynamics/potential/electrostaticPotential/electrostaticPotential.H
+++ b/src/lagrangian/molecularDynamics/potential/electrostaticPotential/electrostaticPotential.H
@@ -44,7 +44,7 @@ namespace Foam
 {
 
 /*---------------------------------------------------------------------------*\
-                           Class electrostaticPotential Declaration
+                   Class electrostaticPotential Declaration
 \*---------------------------------------------------------------------------*/
 
 class electrostaticPotential
diff --git a/src/lagrangian/molecularDynamics/potential/energyScalingFunction/basic/energyScalingFunction.C b/src/lagrangian/molecularDynamics/potential/energyScalingFunction/basic/energyScalingFunction.C
index 2110ca8428..df247d84de 100644
--- a/src/lagrangian/molecularDynamics/potential/energyScalingFunction/basic/energyScalingFunction.C
+++ b/src/lagrangian/molecularDynamics/potential/energyScalingFunction/basic/energyScalingFunction.C
@@ -36,8 +36,6 @@ namespace Foam
 defineTypeNameAndDebug(energyScalingFunction, 0);
 defineRunTimeSelectionTable(energyScalingFunction, dictionary);
 
-// * * * * * * * * * * * * * Private Member Functions  * * * * * * * * * * * //
-
 // * * * * * * * * * * * * * * * * Constructors  * * * * * * * * * * * * * * //
 
 Foam::energyScalingFunction::energyScalingFunction
@@ -66,6 +64,7 @@ bool Foam::energyScalingFunction::read
     return true;
 }
 
+
 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
 } // End namespace Foam
diff --git a/src/lagrangian/molecularDynamics/potential/energyScalingFunction/basic/energyScalingFunction.H b/src/lagrangian/molecularDynamics/potential/energyScalingFunction/basic/energyScalingFunction.H
index 5055db985f..8815151bcf 100644
--- a/src/lagrangian/molecularDynamics/potential/energyScalingFunction/basic/energyScalingFunction.H
+++ b/src/lagrangian/molecularDynamics/potential/energyScalingFunction/basic/energyScalingFunction.H
@@ -48,7 +48,7 @@ namespace Foam
 {
 
 /*---------------------------------------------------------------------------*\
-                Class energyScalingFunction Declaration
+                   Class energyScalingFunction Declaration
 \*---------------------------------------------------------------------------*/
 
 class energyScalingFunction
@@ -144,8 +144,6 @@ public:
 
 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-
 #endif
 
 // ************************************************************************* //
diff --git a/src/lagrangian/molecularDynamics/potential/energyScalingFunction/basic/newEnergyScalingFunction.C b/src/lagrangian/molecularDynamics/potential/energyScalingFunction/basic/newEnergyScalingFunction.C
index e9c03e78c0..ccbdb8c92e 100644
--- a/src/lagrangian/molecularDynamics/potential/energyScalingFunction/basic/newEnergyScalingFunction.C
+++ b/src/lagrangian/molecularDynamics/potential/energyScalingFunction/basic/newEnergyScalingFunction.C
@@ -58,8 +58,8 @@ autoPtr<energyScalingFunction> energyScalingFunction::New
         (
             "energyScalingFunction::New()"
         )   << "Unknown energyScalingFunction type "
-            << energyScalingFunctionTypeName << endl << endl
-            << "Valid  energyScalingFunctions are : " << endl
+            << energyScalingFunctionTypeName << nl << nl
+            << "Valid  energyScalingFunctions are: " << nl
             << dictionaryConstructorTablePtr_->toc()
             << exit(FatalError);
     }
diff --git a/src/lagrangian/molecularDynamics/potential/energyScalingFunction/derived/doubleSigmoid/doubleSigmoid.C b/src/lagrangian/molecularDynamics/potential/energyScalingFunction/derived/doubleSigmoid/doubleSigmoid.C
index 6c43a1d63e..defeb779a0 100644
--- a/src/lagrangian/molecularDynamics/potential/energyScalingFunction/derived/doubleSigmoid/doubleSigmoid.C
+++ b/src/lagrangian/molecularDynamics/potential/energyScalingFunction/derived/doubleSigmoid/doubleSigmoid.C
@@ -57,6 +57,7 @@ scalar doubleSigmoid::sigmoidScale
     return 1.0 / (1.0 + exp( scale * (r - shift)));
 }
 
+
 // * * * * * * * * * * * * * * * * Constructors  * * * * * * * * * * * * * * //
 
 doubleSigmoid::doubleSigmoid
@@ -67,13 +68,17 @@ doubleSigmoid::doubleSigmoid
 )
 :
     energyScalingFunction(name, energyScalingFunctionProperties, pairPot),
-    doubleSigmoidCoeffs_(energyScalingFunctionProperties.subDict(typeName + "Coeffs")),
+    doubleSigmoidCoeffs_
+    (
+        energyScalingFunctionProperties.subDict(typeName + "Coeffs")
+    ),
     shift1_(readScalar(doubleSigmoidCoeffs_.lookup("shift1"))),
     scale1_(readScalar(doubleSigmoidCoeffs_.lookup("scale1"))),
     shift2_(readScalar(doubleSigmoidCoeffs_.lookup("shift2"))),
     scale2_(readScalar(doubleSigmoidCoeffs_.lookup("scale2")))
 {}
 
+
 // * * * * * * * * * * * * * * Member Functions  * * * * * * * * * * * * * * //
 
 void doubleSigmoid::scaleEnergy(scalar& e, const scalar r) const
@@ -81,17 +86,19 @@ void doubleSigmoid::scaleEnergy(scalar& e, const scalar r) const
     e *= sigmoidScale(r, shift1_, scale1_) * sigmoidScale(r, shift2_, scale2_);
 }
 
+
 bool doubleSigmoid::read(const dictionary& energyScalingFunctionProperties)
 {
     energyScalingFunction::read(energyScalingFunctionProperties);
 
-    doubleSigmoidCoeffs_ = energyScalingFunctionProperties.subDict(typeName + "Coeffs");
+    doubleSigmoidCoeffs_ =
+        energyScalingFunctionProperties.subDict(typeName + "Coeffs");
 
     doubleSigmoidCoeffs_.lookup("shift1") >> shift1_;
     doubleSigmoidCoeffs_.lookup("scale1") >> scale1_;
     doubleSigmoidCoeffs_.lookup("shift2") >> shift2_;
     doubleSigmoidCoeffs_.lookup("scale2") >> scale2_;
-    
+
     return true;
 }
 
diff --git a/src/lagrangian/molecularDynamics/potential/energyScalingFunction/derived/doubleSigmoid/doubleSigmoid.H b/src/lagrangian/molecularDynamics/potential/energyScalingFunction/derived/doubleSigmoid/doubleSigmoid.H
index b2b9e189e9..27e75fb190 100644
--- a/src/lagrangian/molecularDynamics/potential/energyScalingFunction/derived/doubleSigmoid/doubleSigmoid.H
+++ b/src/lagrangian/molecularDynamics/potential/energyScalingFunction/derived/doubleSigmoid/doubleSigmoid.H
@@ -46,7 +46,7 @@ namespace energyScalingFunctions
 {
 
 /*---------------------------------------------------------------------------*\
-                           Class doubleSigmoid Declaration
+                        Class doubleSigmoid Declaration
 \*---------------------------------------------------------------------------*/
 
 class doubleSigmoid
@@ -62,6 +62,7 @@ class doubleSigmoid
         scalar shift2_;
         scalar scale2_;
 
+
     // Private Member Functions
 
         scalar sigmoidScale
diff --git a/src/lagrangian/molecularDynamics/potential/energyScalingFunction/derived/noScaling/noScaling.C b/src/lagrangian/molecularDynamics/potential/energyScalingFunction/derived/noScaling/noScaling.C
index 4b89cb174e..412f753887 100644
--- a/src/lagrangian/molecularDynamics/potential/energyScalingFunction/derived/noScaling/noScaling.C
+++ b/src/lagrangian/molecularDynamics/potential/energyScalingFunction/derived/noScaling/noScaling.C
@@ -45,8 +45,6 @@ addToRunTimeSelectionTable
     dictionary
 );
 
-// * * * * * * * * * * * * Private Member Functions  * * * * * * * * * * * * //
-
 
 // * * * * * * * * * * * * * * * * Constructors  * * * * * * * * * * * * * * //
 
@@ -60,15 +58,17 @@ noScaling::noScaling
     energyScalingFunction(name, energyScalingFunctionProperties, pairPot)
 {}
 
+
 // * * * * * * * * * * * * * * Member Functions  * * * * * * * * * * * * * * //
 
 void noScaling::scaleEnergy(scalar& e, const scalar r) const
 {}
 
+
 bool noScaling::read(const dictionary& energyScalingFunctionProperties)
 {
     energyScalingFunction::read(energyScalingFunctionProperties);
-    
+
     return true;
 }
 
diff --git a/src/lagrangian/molecularDynamics/potential/energyScalingFunction/derived/shifted/shifted.C b/src/lagrangian/molecularDynamics/potential/energyScalingFunction/derived/shifted/shifted.C
index 9b4c5a4b9c..d6866cfc8f 100644
--- a/src/lagrangian/molecularDynamics/potential/energyScalingFunction/derived/shifted/shifted.C
+++ b/src/lagrangian/molecularDynamics/potential/energyScalingFunction/derived/shifted/shifted.C
@@ -45,8 +45,6 @@ addToRunTimeSelectionTable
     dictionary
 );
 
-// * * * * * * * * * * * * Private Member Functions  * * * * * * * * * * * * //
-
 
 // * * * * * * * * * * * * * * * * Constructors  * * * * * * * * * * * * * * //
 
@@ -61,6 +59,7 @@ shifted::shifted
     e_at_rCut_(pairPot.unscaledEnergy(pairPot.rCut()))
 {}
 
+
 // * * * * * * * * * * * * * * Member Functions  * * * * * * * * * * * * * * //
 
 void shifted::scaleEnergy(scalar& e, const scalar r) const
@@ -68,10 +67,11 @@ void shifted::scaleEnergy(scalar& e, const scalar r) const
     e -= e_at_rCut_;
 }
 
+
 bool shifted::read(const dictionary& energyScalingFunctionProperties)
 {
     energyScalingFunction::read(energyScalingFunctionProperties);
-    
+
     return true;
 }
 
diff --git a/src/lagrangian/molecularDynamics/potential/energyScalingFunction/derived/shifted/shifted.H b/src/lagrangian/molecularDynamics/potential/energyScalingFunction/derived/shifted/shifted.H
index 1177a35feb..01b0b413f3 100644
--- a/src/lagrangian/molecularDynamics/potential/energyScalingFunction/derived/shifted/shifted.H
+++ b/src/lagrangian/molecularDynamics/potential/energyScalingFunction/derived/shifted/shifted.H
@@ -57,6 +57,7 @@ class shifted
 
         scalar e_at_rCut_;
 
+
 public:
 
     //- Runtime type information
@@ -79,6 +80,7 @@ public:
         ~shifted()
         {}
 
+
     // Member Functions
 
         void scaleEnergy(scalar& e, const scalar r) const;
diff --git a/src/lagrangian/molecularDynamics/potential/energyScalingFunction/derived/shiftedForce/shiftedForce.C b/src/lagrangian/molecularDynamics/potential/energyScalingFunction/derived/shiftedForce/shiftedForce.C
index da2b2baaf0..72041de3e0 100644
--- a/src/lagrangian/molecularDynamics/potential/energyScalingFunction/derived/shiftedForce/shiftedForce.C
+++ b/src/lagrangian/molecularDynamics/potential/energyScalingFunction/derived/shiftedForce/shiftedForce.C
@@ -45,8 +45,6 @@ addToRunTimeSelectionTable
     dictionary
 );
 
-// * * * * * * * * * * * * Private Member Functions  * * * * * * * * * * * * //
-
 
 // * * * * * * * * * * * * * * * * Constructors  * * * * * * * * * * * * * * //
 
@@ -63,6 +61,7 @@ shiftedForce::shiftedForce
     de_dr_at_rCut_(pairPot.energyDerivative(rCut_, false))
 {}
 
+
 // * * * * * * * * * * * * * * Member Functions  * * * * * * * * * * * * * * //
 
 void shiftedForce::scaleEnergy(scalar& e, const scalar r) const
@@ -70,10 +69,11 @@ void shiftedForce::scaleEnergy(scalar& e, const scalar r) const
     e -= ( e_at_rCut_ + de_dr_at_rCut_ * (r - rCut_) );
 }
 
+
 bool shiftedForce::read(const dictionary& energyScalingFunctionProperties)
 {
     energyScalingFunction::read(energyScalingFunctionProperties);
-    
+
     return true;
 }
 
diff --git a/src/lagrangian/molecularDynamics/potential/energyScalingFunction/derived/shiftedForce/shiftedForce.H b/src/lagrangian/molecularDynamics/potential/energyScalingFunction/derived/shiftedForce/shiftedForce.H
index 2ae26169ab..f6d97d002b 100644
--- a/src/lagrangian/molecularDynamics/potential/energyScalingFunction/derived/shiftedForce/shiftedForce.H
+++ b/src/lagrangian/molecularDynamics/potential/energyScalingFunction/derived/shiftedForce/shiftedForce.H
@@ -46,7 +46,7 @@ namespace energyScalingFunctions
 {
 
 /*---------------------------------------------------------------------------*\
-                           Class shiftedForce Declaration
+                       Class shiftedForce Declaration
 \*---------------------------------------------------------------------------*/
 
 class shiftedForce
diff --git a/src/lagrangian/molecularDynamics/potential/energyScalingFunction/derived/sigmoid/sigmoid.C b/src/lagrangian/molecularDynamics/potential/energyScalingFunction/derived/sigmoid/sigmoid.C
index 443fbb0ade..c689608172 100644
--- a/src/lagrangian/molecularDynamics/potential/energyScalingFunction/derived/sigmoid/sigmoid.C
+++ b/src/lagrangian/molecularDynamics/potential/energyScalingFunction/derived/sigmoid/sigmoid.C
@@ -45,6 +45,7 @@ addToRunTimeSelectionTable
     dictionary
 );
 
+
 // * * * * * * * * * * * * Private Member Functions  * * * * * * * * * * * * //
 
 scalar sigmoid::sigmoidScale
@@ -57,6 +58,7 @@ scalar sigmoid::sigmoidScale
     return 1.0 / (1.0 + exp( scale * (r - shift)));
 }
 
+
 // * * * * * * * * * * * * * * * * Constructors  * * * * * * * * * * * * * * //
 
 sigmoid::sigmoid
@@ -67,11 +69,15 @@ sigmoid::sigmoid
 )
 :
     energyScalingFunction(name, energyScalingFunctionProperties, pairPot),
-    sigmoidCoeffs_(energyScalingFunctionProperties.subDict(typeName + "Coeffs")),
+    sigmoidCoeffs_
+    (
+        energyScalingFunctionProperties.subDict(typeName + "Coeffs")
+    ),
     shift_(readScalar(sigmoidCoeffs_.lookup("shift"))),
     scale_(readScalar(sigmoidCoeffs_.lookup("scale")))
 {}
 
+
 // * * * * * * * * * * * * * * Member Functions  * * * * * * * * * * * * * * //
 
 void sigmoid::scaleEnergy(scalar& e, const scalar r) const
@@ -79,15 +85,17 @@ void sigmoid::scaleEnergy(scalar& e, const scalar r) const
     e *= sigmoidScale(r, shift_, scale_);
 }
 
+
 bool sigmoid::read(const dictionary& energyScalingFunctionProperties)
 {
     energyScalingFunction::read(energyScalingFunctionProperties);
 
-    sigmoidCoeffs_ = energyScalingFunctionProperties.subDict(typeName + "Coeffs");
+    sigmoidCoeffs_ =
+        energyScalingFunctionProperties.subDict(typeName + "Coeffs");
 
     sigmoidCoeffs_.lookup("shift") >> shift_;
     sigmoidCoeffs_.lookup("scale") >> shift_;
-    
+
     return true;
 }
 
diff --git a/src/lagrangian/molecularDynamics/potential/pairPotential/basic/newPairPotential.C b/src/lagrangian/molecularDynamics/potential/pairPotential/basic/newPairPotential.C
index d9092c1a24..2986a0e539 100644
--- a/src/lagrangian/molecularDynamics/potential/pairPotential/basic/newPairPotential.C
+++ b/src/lagrangian/molecularDynamics/potential/pairPotential/basic/newPairPotential.C
@@ -54,8 +54,8 @@ autoPtr<pairPotential> pairPotential::New
         (
             "pairPotential::New()"
         )   << "Unknown pairPotential type "
-            << pairPotentialTypeName << endl << endl
-            << "Valid  pairPotentials are : " << endl
+            << pairPotentialTypeName << nl << nl
+            << "Valid  pairPotentials are: " << nl
             << dictionaryConstructorTablePtr_->toc()
             << exit(FatalError);
     }
diff --git a/src/lagrangian/molecularDynamics/potential/pairPotential/basic/pairPotential.H b/src/lagrangian/molecularDynamics/potential/pairPotential/basic/pairPotential.H
index e1ddc7b544..9be12ebd0c 100644
--- a/src/lagrangian/molecularDynamics/potential/pairPotential/basic/pairPotential.H
+++ b/src/lagrangian/molecularDynamics/potential/pairPotential/basic/pairPotential.H
@@ -54,7 +54,7 @@ namespace Foam
 class energyScalingFunction;
 
 /*---------------------------------------------------------------------------*\
-                Class pairPotential Declaration
+                     Class pairPotential Declaration
 \*---------------------------------------------------------------------------*/
 
 class pairPotential
@@ -80,6 +80,7 @@ protected:
 
         bool writeTables_;
 
+
     // Private Member Functions
 
         void scaleEnergy(scalar& e, const scalar r) const;
@@ -160,7 +161,7 @@ public:
 
         inline bool writeTables() const;
 
-        virtual scalar unscaledEnergy (const scalar r) const = 0;
+        virtual scalar unscaledEnergy(const scalar r) const = 0;
 
         scalar scaledEnergy(const scalar r) const;
 
diff --git a/src/lagrangian/molecularDynamics/potential/pairPotential/basic/pairPotentialIO.C b/src/lagrangian/molecularDynamics/potential/pairPotential/basic/pairPotentialIO.C
index dffe4233b4..a07f21bece 100644
--- a/src/lagrangian/molecularDynamics/potential/pairPotential/basic/pairPotentialIO.C
+++ b/src/lagrangian/molecularDynamics/potential/pairPotential/basic/pairPotentialIO.C
@@ -38,12 +38,12 @@ bool Foam::pairPotential::writeEnergyAndForceTables(Ostream& os) const
 
     forAll(eTab, e)
     {
-        os<< eTab[e].first()
-          << token::SPACE
-          << eTab[e].second()
-          << token::SPACE
-          << fTab[e].second()
-          << nl;
+        os  << eTab[e].first()
+            << token::SPACE
+            << eTab[e].second()
+            << token::SPACE
+            << fTab[e].second()
+            << nl;
     }
 
     return os.good();
diff --git a/src/lagrangian/molecularDynamics/potential/pairPotential/derived/azizChen/azizChen.C b/src/lagrangian/molecularDynamics/potential/pairPotential/derived/azizChen/azizChen.C
index 2d990c110b..2e44f617da 100644
--- a/src/lagrangian/molecularDynamics/potential/pairPotential/derived/azizChen/azizChen.C
+++ b/src/lagrangian/molecularDynamics/potential/pairPotential/derived/azizChen/azizChen.C
@@ -45,8 +45,6 @@ addToRunTimeSelectionTable
     dictionary
 );
 
-// * * * * * * * * * * * * Private Member Functions  * * * * * * * * * * * * //
-
 
 // * * * * * * * * * * * * * * * * Constructors  * * * * * * * * * * * * * * //
 
@@ -71,6 +69,7 @@ azizChen::azizChen
     setLookupTables();
 }
 
+
 // * * * * * * * * * * * * * * Member Functions  * * * * * * * * * * * * * * //
 
 scalar azizChen::unscaledEnergy(const scalar r) const
@@ -84,15 +83,16 @@ scalar azizChen::unscaledEnergy(const scalar r) const
         F = exp(-pow(((D_ / x) - 1.0),2));
     }
 
-    return epsilon_ *
-    (
-        A_ * Foam::pow(x, gamma_) * exp(-alpha_ * x)
-      - (
-            (C6_/ Foam::pow(x, 6))
-          + (C8_/ Foam::pow(x, 8))
-          + (C10_/ Foam::pow(x, 10))
-        )
-      * F
+    return
+        epsilon_
+       *(
+            A_ * Foam::pow(x, gamma_)*exp(-alpha_*x)
+          - (
+                (C6_/ Foam::pow(x, 6))
+              + (C8_/ Foam::pow(x, 8))
+              + (C10_/ Foam::pow(x, 10))
+            )
+           *F
     );
 }
 
@@ -112,7 +112,7 @@ bool azizChen::read(const dictionary& azizChen)
     azizChenCoeffs_.lookup("C10") >> C10_;
     azizChenCoeffs_.lookup("D") >> D_;
     azizChenCoeffs_.lookup("gamma") >> gamma_;
-    
+
     return true;
 }
 
diff --git a/src/lagrangian/molecularDynamics/potential/pairPotential/derived/azizChen/azizChen.H b/src/lagrangian/molecularDynamics/potential/pairPotential/derived/azizChen/azizChen.H
index 5af682d87a..53f9348128 100644
--- a/src/lagrangian/molecularDynamics/potential/pairPotential/derived/azizChen/azizChen.H
+++ b/src/lagrangian/molecularDynamics/potential/pairPotential/derived/azizChen/azizChen.H
@@ -85,6 +85,7 @@ class azizChen
         scalar D_;
         scalar gamma_;
 
+
 public:
 
     //- Runtime type information
diff --git a/src/lagrangian/molecularDynamics/potential/pairPotential/derived/coulomb/coulomb.C b/src/lagrangian/molecularDynamics/potential/pairPotential/derived/coulomb/coulomb.C
index 21444b215f..7dd0232032 100644
--- a/src/lagrangian/molecularDynamics/potential/pairPotential/derived/coulomb/coulomb.C
+++ b/src/lagrangian/molecularDynamics/potential/pairPotential/derived/coulomb/coulomb.C
@@ -47,9 +47,7 @@ addToRunTimeSelectionTable
 );
 
 scalar coulomb::oneOverFourPiEps0 =
-1.0/(4.0 * mathematicalConstant::pi * 8.854187817e-12);
-
-// * * * * * * * * * * * * Private Member Functions  * * * * * * * * * * * * //
+    1.0/(4.0 * mathematicalConstant::pi * 8.854187817e-12);
 
 
 // * * * * * * * * * * * * * * * * Constructors  * * * * * * * * * * * * * * //
@@ -65,6 +63,7 @@ coulomb::coulomb
     setLookupTables();
 }
 
+
 // * * * * * * * * * * * * * * Member Functions  * * * * * * * * * * * * * * //
 
 scalar coulomb::unscaledEnergy(const scalar r) const
diff --git a/src/lagrangian/molecularDynamics/potential/pairPotential/derived/coulomb/coulomb.H b/src/lagrangian/molecularDynamics/potential/pairPotential/derived/coulomb/coulomb.H
index cb3eada59e..f1e06712bb 100644
--- a/src/lagrangian/molecularDynamics/potential/pairPotential/derived/coulomb/coulomb.H
+++ b/src/lagrangian/molecularDynamics/potential/pairPotential/derived/coulomb/coulomb.H
@@ -56,7 +56,8 @@ class coulomb
 public:
 
     //- Runtime type information
-        TypeName("coulomb");
+    TypeName("coulomb");
+
 
     // Static data members
 
diff --git a/src/lagrangian/molecularDynamics/potential/pairPotential/derived/dampedCoulomb/dampedCoulomb.C b/src/lagrangian/molecularDynamics/potential/pairPotential/derived/dampedCoulomb/dampedCoulomb.C
index 711c2a4511..fd771e1854 100644
--- a/src/lagrangian/molecularDynamics/potential/pairPotential/derived/dampedCoulomb/dampedCoulomb.C
+++ b/src/lagrangian/molecularDynamics/potential/pairPotential/derived/dampedCoulomb/dampedCoulomb.C
@@ -47,9 +47,7 @@ addToRunTimeSelectionTable
 );
 
 scalar dampedCoulomb::oneOverFourPiEps0 =
-1.0/(4.0 * mathematicalConstant::pi * 8.854187817e-12);
-
-// * * * * * * * * * * * * Private Member Functions  * * * * * * * * * * * * //
+    1.0/(4.0 * mathematicalConstant::pi * 8.854187817e-12);
 
 
 // * * * * * * * * * * * * * * * * Constructors  * * * * * * * * * * * * * * //
@@ -70,6 +68,7 @@ dampedCoulomb::dampedCoulomb
     setLookupTables();
 }
 
+
 // * * * * * * * * * * * * * * Member Functions  * * * * * * * * * * * * * * //
 
 scalar dampedCoulomb::unscaledEnergy(const scalar r) const
@@ -83,7 +82,7 @@ bool dampedCoulomb::read(const dictionary& pairPotentialProperties)
     pairPotential::read(pairPotentialProperties);
 
     dampedCoulombCoeffs_ =
-    pairPotentialProperties.subDict(typeName + "Coeffs");
+        pairPotentialProperties.subDict(typeName + "Coeffs");
 
     dampedCoulombCoeffs_.lookup("alpha") >> alpha_;
 
diff --git a/src/lagrangian/molecularDynamics/potential/pairPotential/derived/dampedCoulomb/dampedCoulomb.H b/src/lagrangian/molecularDynamics/potential/pairPotential/derived/dampedCoulomb/dampedCoulomb.H
index eb44399dbe..377b531824 100644
--- a/src/lagrangian/molecularDynamics/potential/pairPotential/derived/dampedCoulomb/dampedCoulomb.H
+++ b/src/lagrangian/molecularDynamics/potential/pairPotential/derived/dampedCoulomb/dampedCoulomb.H
@@ -46,7 +46,7 @@ namespace pairPotentials
 {
 
 /*---------------------------------------------------------------------------*\
-                           Class dampedCoulomb Declaration
+                         Class dampedCoulomb Declaration
 \*---------------------------------------------------------------------------*/
 
 class dampedCoulomb
@@ -59,15 +59,18 @@ class dampedCoulomb
 
         scalar alpha_;
 
+
 public:
 
     //- Runtime type information
-        TypeName("dampedCoulomb");
+    TypeName("dampedCoulomb");
+
 
     // Static data members
 
         static scalar oneOverFourPiEps0;
 
+
     // Constructors
 
         //- Construct from components
diff --git a/src/lagrangian/molecularDynamics/potential/pairPotential/derived/exponentialRepulsion/exponentialRepulsion.C b/src/lagrangian/molecularDynamics/potential/pairPotential/derived/exponentialRepulsion/exponentialRepulsion.C
index a303935b1e..ae34ef4cdb 100644
--- a/src/lagrangian/molecularDynamics/potential/pairPotential/derived/exponentialRepulsion/exponentialRepulsion.C
+++ b/src/lagrangian/molecularDynamics/potential/pairPotential/derived/exponentialRepulsion/exponentialRepulsion.C
@@ -45,8 +45,6 @@ addToRunTimeSelectionTable
     dictionary
 );
 
-// * * * * * * * * * * * * Private Member Functions  * * * * * * * * * * * * //
-
 
 // * * * * * * * * * * * * * * * * Constructors  * * * * * * * * * * * * * * //
 
@@ -57,13 +55,17 @@ exponentialRepulsion::exponentialRepulsion
 )
 :
     pairPotential(name, exponentialRepulsion),
-    exponentialRepulsionCoeffs_(exponentialRepulsion.subDict(typeName + "Coeffs")),
+    exponentialRepulsionCoeffs_
+    (
+        exponentialRepulsion.subDict(typeName + "Coeffs")
+    ),
     rm_(readScalar(exponentialRepulsionCoeffs_.lookup("rm"))),
     epsilon_(readScalar(exponentialRepulsionCoeffs_.lookup("epsilon")))
 {
     setLookupTables();
 }
 
+
 // * * * * * * * * * * * * * * Member Functions  * * * * * * * * * * * * * * //
 
 scalar exponentialRepulsion::unscaledEnergy(const scalar r) const
@@ -76,7 +78,8 @@ bool exponentialRepulsion::read(const dictionary& exponentialRepulsion)
 {
     pairPotential::read(exponentialRepulsion);
 
-    exponentialRepulsionCoeffs_ = exponentialRepulsion.subDict(typeName + "Coeffs");
+    exponentialRepulsionCoeffs_ =
+        exponentialRepulsion.subDict(typeName + "Coeffs");
 
     exponentialRepulsionCoeffs_.lookup("rm") >> rm_;
     exponentialRepulsionCoeffs_.lookup("epsilon") >> epsilon_;
diff --git a/src/lagrangian/molecularDynamics/potential/pairPotential/derived/exponentialRepulsion/exponentialRepulsion.H b/src/lagrangian/molecularDynamics/potential/pairPotential/derived/exponentialRepulsion/exponentialRepulsion.H
index 148ea002cf..8ce1ee4a0f 100644
--- a/src/lagrangian/molecularDynamics/potential/pairPotential/derived/exponentialRepulsion/exponentialRepulsion.H
+++ b/src/lagrangian/molecularDynamics/potential/pairPotential/derived/exponentialRepulsion/exponentialRepulsion.H
@@ -46,7 +46,7 @@ namespace pairPotentials
 {
 
 /*---------------------------------------------------------------------------*\
-                           Class exponentialRepulsion Declaration
+                   Class exponentialRepulsion Declaration
 \*---------------------------------------------------------------------------*/
 
 class exponentialRepulsion
@@ -60,6 +60,7 @@ class exponentialRepulsion
         scalar rm_;
         scalar epsilon_;
 
+
 public:
 
     //- Runtime type information
diff --git a/src/lagrangian/molecularDynamics/potential/pairPotential/derived/lennardJones/lennardJones.C b/src/lagrangian/molecularDynamics/potential/pairPotential/derived/lennardJones/lennardJones.C
index 4e3e634930..d5a1deb88e 100644
--- a/src/lagrangian/molecularDynamics/potential/pairPotential/derived/lennardJones/lennardJones.C
+++ b/src/lagrangian/molecularDynamics/potential/pairPotential/derived/lennardJones/lennardJones.C
@@ -45,8 +45,6 @@ addToRunTimeSelectionTable
     dictionary
 );
 
-// * * * * * * * * * * * * Private Member Functions  * * * * * * * * * * * * //
-
 
 // * * * * * * * * * * * * * * * * Constructors  * * * * * * * * * * * * * * //
 
@@ -64,6 +62,7 @@ lennardJones::lennardJones
     setLookupTables();
 }
 
+
 // * * * * * * * * * * * * * * Member Functions  * * * * * * * * * * * * * * //
 
 scalar lennardJones::unscaledEnergy(const scalar r) const
diff --git a/src/lagrangian/molecularDynamics/potential/pairPotential/derived/lennardJones/lennardJones.H b/src/lagrangian/molecularDynamics/potential/pairPotential/derived/lennardJones/lennardJones.H
index 92dc4b5f55..2ae3c036ae 100644
--- a/src/lagrangian/molecularDynamics/potential/pairPotential/derived/lennardJones/lennardJones.H
+++ b/src/lagrangian/molecularDynamics/potential/pairPotential/derived/lennardJones/lennardJones.H
@@ -46,7 +46,7 @@ namespace pairPotentials
 {
 
 /*---------------------------------------------------------------------------*\
-                           Class lennardJones Declaration
+                         Class lennardJones Declaration
 \*---------------------------------------------------------------------------*/
 
 class lennardJones
@@ -60,6 +60,7 @@ class lennardJones
         scalar sigma_;
         scalar epsilon_;
 
+
 public:
 
     //- Runtime type information
diff --git a/src/lagrangian/molecularDynamics/potential/pairPotential/derived/maitlandSmith/maitlandSmith.C b/src/lagrangian/molecularDynamics/potential/pairPotential/derived/maitlandSmith/maitlandSmith.C
index 6ae3c92add..7545573591 100644
--- a/src/lagrangian/molecularDynamics/potential/pairPotential/derived/maitlandSmith/maitlandSmith.C
+++ b/src/lagrangian/molecularDynamics/potential/pairPotential/derived/maitlandSmith/maitlandSmith.C
@@ -45,8 +45,6 @@ addToRunTimeSelectionTable
     dictionary
 );
 
-// * * * * * * * * * * * * Private Member Functions  * * * * * * * * * * * * //
-
 
 // * * * * * * * * * * * * * * * * Constructors  * * * * * * * * * * * * * * //
 
@@ -66,6 +64,7 @@ maitlandSmith::maitlandSmith
     setLookupTables();
 }
 
+
 // * * * * * * * * * * * * * * Member Functions  * * * * * * * * * * * * * * //
 
 scalar maitlandSmith::unscaledEnergy(const scalar r) const
@@ -90,7 +89,7 @@ bool maitlandSmith::read(const dictionary& maitlandSmith)
     maitlandSmithCoeffs_.lookup("gamma") >> gamma_;
     maitlandSmithCoeffs_.lookup("rm") >> rm_;
     maitlandSmithCoeffs_.lookup("epsilon") >> epsilon_;
-    
+
     return true;
 }
 
diff --git a/src/lagrangian/molecularDynamics/potential/pairPotential/derived/maitlandSmith/maitlandSmith.H b/src/lagrangian/molecularDynamics/potential/pairPotential/derived/maitlandSmith/maitlandSmith.H
index 37468b2daf..cdeb01211b 100644
--- a/src/lagrangian/molecularDynamics/potential/pairPotential/derived/maitlandSmith/maitlandSmith.H
+++ b/src/lagrangian/molecularDynamics/potential/pairPotential/derived/maitlandSmith/maitlandSmith.H
@@ -72,7 +72,7 @@ namespace pairPotentials
 {
 
 /*---------------------------------------------------------------------------*\
-                           Class maitlandSmith Declaration
+                       Class maitlandSmith Declaration
 \*---------------------------------------------------------------------------*/
 
 class maitlandSmith
@@ -88,6 +88,7 @@ class maitlandSmith
         scalar rm_;
         scalar epsilon_;
 
+
 public:
 
     //- Runtime type information
diff --git a/src/lagrangian/molecularDynamics/potential/pairPotential/derived/noInteraction/noInteraction.C b/src/lagrangian/molecularDynamics/potential/pairPotential/derived/noInteraction/noInteraction.C
index d3c08871eb..3326fd7fe1 100644
--- a/src/lagrangian/molecularDynamics/potential/pairPotential/derived/noInteraction/noInteraction.C
+++ b/src/lagrangian/molecularDynamics/potential/pairPotential/derived/noInteraction/noInteraction.C
@@ -45,8 +45,6 @@ addToRunTimeSelectionTable
     dictionary
 );
 
-// * * * * * * * * * * * * Private Member Functions  * * * * * * * * * * * * //
-
 
 // * * * * * * * * * * * * * * * * Constructors  * * * * * * * * * * * * * * //
 
@@ -61,6 +59,7 @@ noInteraction::noInteraction
     setLookupTables();
 }
 
+
 // * * * * * * * * * * * * * * Member Functions  * * * * * * * * * * * * * * //
 
 scalar noInteraction::unscaledEnergy(const scalar r) const
diff --git a/src/lagrangian/molecularDynamics/potential/pairPotential/derived/noInteraction/noInteraction.H b/src/lagrangian/molecularDynamics/potential/pairPotential/derived/noInteraction/noInteraction.H
index 938f2a30a9..5d3fd5742d 100644
--- a/src/lagrangian/molecularDynamics/potential/pairPotential/derived/noInteraction/noInteraction.H
+++ b/src/lagrangian/molecularDynamics/potential/pairPotential/derived/noInteraction/noInteraction.H
@@ -46,7 +46,7 @@ namespace pairPotentials
 {
 
 /*---------------------------------------------------------------------------*\
-                           Class noInteraction Declaration
+                       Class noInteraction Declaration
 \*---------------------------------------------------------------------------*/
 
 class noInteraction
diff --git a/src/lagrangian/molecularDynamics/potential/pairPotential/pairPotentialList/pairPotentialList.C b/src/lagrangian/molecularDynamics/potential/pairPotential/pairPotentialList/pairPotentialList.C
index 0172cf94c0..2d77c4ce59 100644
--- a/src/lagrangian/molecularDynamics/potential/pairPotential/pairPotentialList/pairPotentialList.C
+++ b/src/lagrangian/molecularDynamics/potential/pairPotential/pairPotentialList/pairPotentialList.C
@@ -170,6 +170,7 @@ void Foam::pairPotentialList::readPairPotentialDict
     rCutMaxSqr_ = rCutMax_*rCutMax_;
 }
 
+
 // * * * * * * * * * * * * * * * * Constructors  * * * * * * * * * * * * * * //
 
 Foam::pairPotentialList::pairPotentialList()
@@ -177,6 +178,7 @@ Foam::pairPotentialList::pairPotentialList()
     PtrList<pairPotential>()
 {}
 
+
 Foam::pairPotentialList::pairPotentialList
 (
     const List<word>& idList,
@@ -319,6 +321,5 @@ Foam::scalar Foam::pairPotentialList::energy
     return e;
 }
 
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
 // ************************************************************************* //
diff --git a/src/lagrangian/molecularDynamics/potential/pairPotential/pairPotentialList/pairPotentialList.H b/src/lagrangian/molecularDynamics/potential/pairPotential/pairPotentialList/pairPotentialList.H
index 19e678eb22..b4193a46ae 100644
--- a/src/lagrangian/molecularDynamics/potential/pairPotential/pairPotentialList/pairPotentialList.H
+++ b/src/lagrangian/molecularDynamics/potential/pairPotential/pairPotentialList/pairPotentialList.H
@@ -47,7 +47,7 @@ namespace Foam
 {
 
 /*---------------------------------------------------------------------------*\
-                           Class pairPotentialList Declaration
+                      Class pairPotentialList Declaration
 \*---------------------------------------------------------------------------*/
 
 class pairPotentialList
@@ -64,6 +64,7 @@ class pairPotentialList
 
         autoPtr<pairPotential> electrostaticPotential_;
 
+
     // Private Member Functions
 
         inline label pairPotentialIndex
@@ -85,6 +86,7 @@ class pairPotentialList
         //- Disallow default bitwise copy construct
         pairPotentialList(const pairPotentialList&);
 
+
 public:
 
     // Constructors
@@ -99,10 +101,12 @@ public:
             const polyMesh& mesh
         );
 
+
     // Destructor
 
         ~pairPotentialList();
 
+
     // Member Functions
 
         void buildPotentials
@@ -112,6 +116,7 @@ public:
             const polyMesh& mesh
         );
 
+
         // Access
 
             inline scalar rCutMax() const;
@@ -134,13 +139,13 @@ public:
                 const scalar rIJMagSqr
             ) const;
 
-            scalar rMin (const label a, const label b) const;
+            scalar rMin(const label a, const label b) const;
 
-            scalar dr (const label a, const label b) const;
+            scalar dr(const label a, const label b) const;
 
-            scalar rCutSqr (const label a, const label b) const;
+            scalar rCutSqr(const label a, const label b) const;
 
-            scalar rCut (const label a, const label b) const;
+            scalar rCut(const label a, const label b) const;
 
             scalar force
             (
diff --git a/src/lagrangian/molecularDynamics/potential/pairPotential/pairPotentialList/pairPotentialListI.H b/src/lagrangian/molecularDynamics/potential/pairPotential/pairPotentialList/pairPotentialListI.H
index 0e296697f1..c14aa3695e 100644
--- a/src/lagrangian/molecularDynamics/potential/pairPotential/pairPotentialList/pairPotentialListI.H
+++ b/src/lagrangian/molecularDynamics/potential/pairPotential/pairPotentialList/pairPotentialListI.H
@@ -56,6 +56,7 @@ inline Foam::label Foam::pairPotentialList::pairPotentialIndex
     return index;
 }
 
+
 // * * * * * * * * * * * * * * * Member Functions  * * * * * * * * * * * * * //
 
 inline Foam::scalar Foam::pairPotentialList::rCutMax() const
diff --git a/src/lagrangian/molecularDynamics/potential/potential/potential.H b/src/lagrangian/molecularDynamics/potential/potential/potential.H
index 5c8569cb0c..32f9b2a1d2 100644
--- a/src/lagrangian/molecularDynamics/potential/potential/potential.H
+++ b/src/lagrangian/molecularDynamics/potential/potential/potential.H
@@ -49,7 +49,7 @@ namespace Foam
 {
 
 /*---------------------------------------------------------------------------*\
-                           Class potential Declaration
+                         Class potential Declaration
 \*---------------------------------------------------------------------------*/
 
 class potential
@@ -74,6 +74,7 @@ class potential
 
         vector gravity_;
 
+
     // Private Member Functions
 
         void setSiteIdList(const IOdictionary& moleculePropertiesDict);
@@ -108,6 +109,7 @@ public:
             IOdictionary& idListDict
         );
 
+
     // Destructor
 
         ~potential();
diff --git a/src/lagrangian/molecularDynamics/potential/potential/potentialI.H b/src/lagrangian/molecularDynamics/potential/potential/potentialI.H
index 0b72556152..38ba634455 100644
--- a/src/lagrangian/molecularDynamics/potential/potential/potentialI.H
+++ b/src/lagrangian/molecularDynamics/potential/potential/potentialI.H
@@ -24,8 +24,6 @@ License
 
 \*---------------------------------------------------------------------------*/
 
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-
 // * * * * * * * * * * * * * * * Member Functions  * * * * * * * * * * * * * //
 
 inline Foam::label Foam::potential::nIds() const
diff --git a/src/lagrangian/molecularDynamics/potential/tetherPotential/basic/newTetherPotential.C b/src/lagrangian/molecularDynamics/potential/tetherPotential/basic/newTetherPotential.C
index d8c4e57532..85c8a70359 100644
--- a/src/lagrangian/molecularDynamics/potential/tetherPotential/basic/newTetherPotential.C
+++ b/src/lagrangian/molecularDynamics/potential/tetherPotential/basic/newTetherPotential.C
@@ -39,7 +39,11 @@ autoPtr<tetherPotential> tetherPotential::New
     const dictionary& tetherPotentialProperties
 )
 {
-    word tetherPotentialTypeName(tetherPotentialProperties.lookup("tetherPotential"));
+    word
+        tetherPotentialTypeName
+        (
+            tetherPotentialProperties.lookup("tetherPotential")
+        );
 
     Info<< nl << "Selecting tether potential "
         << tetherPotentialTypeName << " for "
@@ -54,8 +58,8 @@ autoPtr<tetherPotential> tetherPotential::New
         (
             "tetherPotential::New()"
         )   << "Unknown tetherPotential type "
-            << tetherPotentialTypeName << endl << endl
-            << "Valid  tetherPotentials are : " << endl
+            << tetherPotentialTypeName << nl << nl
+            << "Valid  tetherPotentials are: " << nl
             << dictionaryConstructorTablePtr_->toc()
             << exit(FatalError);
     }
diff --git a/src/lagrangian/molecularDynamics/potential/tetherPotential/basic/tetherPotential.H b/src/lagrangian/molecularDynamics/potential/tetherPotential/basic/tetherPotential.H
index a70da01177..f65e5bb6b8 100644
--- a/src/lagrangian/molecularDynamics/potential/tetherPotential/basic/tetherPotential.H
+++ b/src/lagrangian/molecularDynamics/potential/tetherPotential/basic/tetherPotential.H
@@ -48,7 +48,7 @@ namespace Foam
 {
 
 /*---------------------------------------------------------------------------*\
-                Class tetherPotential Declaration
+                      Class tetherPotential Declaration
 \*---------------------------------------------------------------------------*/
 
 class tetherPotential
diff --git a/src/lagrangian/molecularDynamics/potential/tetherPotential/derived/harmonicSpring/harmonicSpring.H b/src/lagrangian/molecularDynamics/potential/tetherPotential/derived/harmonicSpring/harmonicSpring.H
index 90b3251c17..4af51cfdff 100644
--- a/src/lagrangian/molecularDynamics/potential/tetherPotential/derived/harmonicSpring/harmonicSpring.H
+++ b/src/lagrangian/molecularDynamics/potential/tetherPotential/derived/harmonicSpring/harmonicSpring.H
@@ -46,7 +46,7 @@ namespace tetherPotentials
 {
 
 /*---------------------------------------------------------------------------*\
-                           Class harmonicSpring Declaration
+                       Class harmonicSpring Declaration
 \*---------------------------------------------------------------------------*/
 
 class harmonicSpring
diff --git a/src/lagrangian/molecularDynamics/potential/tetherPotential/derived/pitchForkRing/pitchForkRing.H b/src/lagrangian/molecularDynamics/potential/tetherPotential/derived/pitchForkRing/pitchForkRing.H
index f78a3aa7c2..2bb98e39bd 100644
--- a/src/lagrangian/molecularDynamics/potential/tetherPotential/derived/pitchForkRing/pitchForkRing.H
+++ b/src/lagrangian/molecularDynamics/potential/tetherPotential/derived/pitchForkRing/pitchForkRing.H
@@ -46,7 +46,7 @@ namespace tetherPotentials
 {
 
 /*---------------------------------------------------------------------------*\
-                           Class pitchForkRing Declaration
+                       Class pitchForkRing Declaration
 \*---------------------------------------------------------------------------*/
 
 class pitchForkRing
diff --git a/src/lagrangian/molecularDynamics/potential/tetherPotential/derived/restrainedHarmonicSpring/restrainedHarmonicSpring.C b/src/lagrangian/molecularDynamics/potential/tetherPotential/derived/restrainedHarmonicSpring/restrainedHarmonicSpring.C
index 289190798f..5396013a17 100644
--- a/src/lagrangian/molecularDynamics/potential/tetherPotential/derived/restrainedHarmonicSpring/restrainedHarmonicSpring.C
+++ b/src/lagrangian/molecularDynamics/potential/tetherPotential/derived/restrainedHarmonicSpring/restrainedHarmonicSpring.C
@@ -45,8 +45,6 @@ addToRunTimeSelectionTable
     dictionary
 );
 
-// * * * * * * * * * * * * Private Member Functions  * * * * * * * * * * * * //
-
 
 // * * * * * * * * * * * * * * * * Constructors  * * * * * * * * * * * * * * //
 
@@ -88,6 +86,7 @@ scalar restrainedHarmonicSpring::energy(const vector r) const
     }
 }
 
+
 vector restrainedHarmonicSpring::force(const vector r) const
 {
     scalar magR = mag(r);
@@ -102,7 +101,11 @@ vector restrainedHarmonicSpring::force(const vector r) const
     }
 }
 
-bool restrainedHarmonicSpring::read(const dictionary& tetherPotentialProperties)
+
+bool restrainedHarmonicSpring::read
+(
+    const dictionary& tetherPotentialProperties
+)
 {
     tetherPotential::read(tetherPotentialProperties);
 
diff --git a/src/lagrangian/molecularDynamics/potential/tetherPotential/derived/restrainedHarmonicSpring/restrainedHarmonicSpring.H b/src/lagrangian/molecularDynamics/potential/tetherPotential/derived/restrainedHarmonicSpring/restrainedHarmonicSpring.H
index 028809010a..1711c4f5f3 100644
--- a/src/lagrangian/molecularDynamics/potential/tetherPotential/derived/restrainedHarmonicSpring/restrainedHarmonicSpring.H
+++ b/src/lagrangian/molecularDynamics/potential/tetherPotential/derived/restrainedHarmonicSpring/restrainedHarmonicSpring.H
@@ -46,7 +46,7 @@ namespace tetherPotentials
 {
 
 /*---------------------------------------------------------------------------*\
-                           Class restrainedHarmonicSpring Declaration
+                  Class restrainedHarmonicSpring Declaration
 \*---------------------------------------------------------------------------*/
 
 class restrainedHarmonicSpring
diff --git a/src/lagrangian/molecularDynamics/potential/tetherPotential/tetherPotentialList/tetherPotentialList.C b/src/lagrangian/molecularDynamics/potential/tetherPotential/tetherPotentialList/tetherPotentialList.C
index d0b514b9b5..93498b8f71 100644
--- a/src/lagrangian/molecularDynamics/potential/tetherPotential/tetherPotentialList/tetherPotentialList.C
+++ b/src/lagrangian/molecularDynamics/potential/tetherPotential/tetherPotentialList/tetherPotentialList.C
@@ -154,6 +154,5 @@ Foam::scalar Foam::tetherPotentialList::energy
     return (*this)[tetherPotentialIndex(a)].energy(rIT);
 }
 
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
 // ************************************************************************* //
diff --git a/src/lagrangian/molecularDynamics/potential/tetherPotential/tetherPotentialList/tetherPotentialList.H b/src/lagrangian/molecularDynamics/potential/tetherPotential/tetherPotentialList/tetherPotentialList.H
index cb9bf9633b..8ca770f523 100644
--- a/src/lagrangian/molecularDynamics/potential/tetherPotential/tetherPotentialList/tetherPotentialList.H
+++ b/src/lagrangian/molecularDynamics/potential/tetherPotential/tetherPotentialList/tetherPotentialList.H
@@ -57,6 +57,7 @@ class tetherPotentialList
 
         List<label> idMap_;
 
+
     // Private Member Functions
 
         inline label tetherPotentialIndex
@@ -92,10 +93,12 @@ public:
             const List<word>& tetherSiteIdList
         );
 
+
     // Destructor
 
         ~tetherPotentialList();
 
+
     // Member Functions
 
         void buildPotentials