diff --git a/Make/files b/Make/files
index 68423ef..43f1f5a 100644
--- a/Make/files
+++ b/Make/files
@@ -1,4 +1,5 @@
diffusivityModel/Particle/Particle.C
+diffusivityModel/Neutral/Neutral.C
diffusivityModel/diffusivityModel/diffusivityModel.C
eReactingFoam.C
diff --git a/Make/options b/Make/options
index 37cb8d9..f223db6 100644
--- a/Make/options
+++ b/Make/options
@@ -1,5 +1,6 @@
EXE_INC = \
-IdiffusivityModel/Particle \
+ -IdiffusivityModel/Neutral \
-IdiffusivityModel/diffusivityModel \
-I$(LIB_SRC)/finiteVolume/lnInclude \
-I$(LIB_SRC)/meshTools/lnInclude \
diff --git a/diffusivityModel/Neutral/Neutral.C b/diffusivityModel/Neutral/Neutral.C
new file mode 100644
index 0000000..d0d927c
--- /dev/null
+++ b/diffusivityModel/Neutral/Neutral.C
@@ -0,0 +1,120 @@
+/*---------------------------------------------------------------------------*\
+ ========= |
+ \\ / F ield | OpenFOAM: The Open Source CFD Toolbox
+ \\ / O peration |
+ \\ / A nd | Copyright (C) 2016 OpenFOAM Foundation
+ \\/ M anipulation |
+-------------------------------------------------------------------------------
+License
+ This file is part of OpenFOAM.
+
+ OpenFOAM is free software: you can redistribute it and/or modify it
+ under the terms of the GNU General Public License as published by
+ the Free Software Foundation, either version 3 of the License, or
+ (at your option) any later version.
+
+ OpenFOAM is distributed in the hope that it will be useful, but WITHOUT
+ ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+ FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
+ for more details.
+
+ You should have received a copy of the GNU General Public License
+ along with OpenFOAM. If not, see .
+
+\*---------------------------------------------------------------------------*/
+
+#include "Neutral.H"
+
+#include "dictionary.H"
+#include "scalarList.H"
+
+// * * * * * * * * * * * * * * Static Data Members * * * * * * * * * * * * * //
+
+// const dataType Foam::Neutral::staticData();
+
+
+// * * * * * * * * * * * * * Static Member Functions * * * * * * * * * * * * //
+
+
+// * * * * * * * * * * * * * Private Member Functions * * * * * * * * * * * //
+
+
+// * * * * * * * * * * * * Protected Member Functions * * * * * * * * * * * //
+
+
+// * * * * * * * * * * * * * * * * Constructors * * * * * * * * * * * * * * //
+
+Foam::Neutral::Neutral(const dictionary& dict)
+:
+ Particle(dict),
+ wellDepth_(dict.lookupOrDefault("wellDepth", 0.0)),
+ diameter_(dict.lookupOrDefault("diameter", 0.0)),
+ dipoleMoment_(dict.lookupOrDefault("dipoleMoment", 0.0)),
+ alpha_(dict.lookupOrDefault("dipolePolarizability", 0.0)),
+ alphaQ_(dict.lookupOrDefault("quadpolePolarizability", 0.0)),
+ C6_(dict.lookupOrDefault("dispersionCoef", 0.0)),
+ Zrot_(dict.lookupOrDefault("rotationalRelaxation", 0.0))
+{
+
+ const entry* entryPtr = dict.lookupEntryPtr("tranlib", false, true);
+
+ if (entryPtr)
+ {
+ scalarList tranlib(entryPtr->stream());
+
+ wellDepth_ = tranlib[1];
+ diameter_ = tranlib[2];
+ dipoleMoment_ = tranlib[3];
+ alpha_ = tranlib[4];
+ // alphaQ_ = tranlib[0];
+ // C6_ = tranlib[0];
+ Zrot_ = tranlib[5];
+ }
+
+}
+
+
+// * * * * * * * * * * * * * * * * Destructor * * * * * * * * * * * * * * * //
+
+Foam::Neutral::~Neutral()
+{}
+
+
+// * * * * * * * * * * * * * * Member Functions * * * * * * * * * * * * * * //
+
+
+// * * * * * * * * * * * * * * Member Operators * * * * * * * * * * * * * * //
+
+void Foam::Neutral::operator=(const Neutral& rhs)
+{
+ // Check for assignment to self
+ if (this == &rhs)
+ {
+ FatalErrorInFunction
+ << "Attempted assignment to self"
+ << abort(FatalError);
+ }
+}
+
+// * * * * * * * * * * * * * * Friend Functions * * * * * * * * * * * * * * //
+
+
+// * * * * * * * * * * * * * * Friend Operators * * * * * * * * * * * * * * //
+
+Foam::Ostream& Foam::operator<<(Ostream& os, const Neutral& st)
+{
+ os << static_cast(st) << tab
+ << st.wellDepth_ << tab
+ << st.diameter_ << tab
+ << st.dipoleMoment_ << tab
+ << st.alpha_ << tab
+ << st.alphaQ_ << tab
+ << st.C6_ << tab
+ << st.Zrot_;
+
+ os.check("Ostream& operator<<(Ostream& os, const specie& st)");
+ return os;
+}
+
+
+// ************************************************************************* //
diff --git a/diffusivityModel/Neutral/Neutral.H b/diffusivityModel/Neutral/Neutral.H
new file mode 100644
index 0000000..4a438d8
--- /dev/null
+++ b/diffusivityModel/Neutral/Neutral.H
@@ -0,0 +1,174 @@
+/*---------------------------------------------------------------------------*\
+ ========= |
+ \\ / F ield | OpenFOAM: The Open Source CFD Toolbox
+ \\ / O peration |
+ \\ / A nd | Copyright (C) 2016 OpenFOAM Foundation
+ \\/ M anipulation |
+-------------------------------------------------------------------------------
+License
+ This file is part of OpenFOAM.
+
+ OpenFOAM is free software: you can redistribute it and/or modify it
+ under the terms of the GNU General Public License as published by
+ the Free Software Foundation, either version 3 of the License, or
+ (at your option) any later version.
+
+ OpenFOAM is distributed in the hope that it will be useful, but WITHOUT
+ ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+ FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
+ for more details.
+
+ You should have received a copy of the GNU General Public License
+ along with OpenFOAM. If not, see .
+
+Class
+ Foam::Neutral
+
+Description
+
+SourceFiles
+ NeutralI.H
+ Neutral.C
+ NeutralIO.C
+
+\*---------------------------------------------------------------------------*/
+
+#ifndef Neutral_H
+#define Neutral_H
+
+#include "Particle.H"
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+namespace Foam
+{
+
+// Forward declaration of classes
+class Istream;
+class Ostream;
+
+// Forward declaration of friend functions and operators
+class Neutral;
+Istream& operator>>(Istream&, Neutral&);
+Ostream& operator<<(Ostream&, const Neutral&);
+
+
+/*---------------------------------------------------------------------------*\
+ Class Neutral Declaration
+\*---------------------------------------------------------------------------*/
+
+class Neutral
+:
+ public Particle
+{
+ // Private data
+
+ //- Lenard-Jones parameter - potential well depth
+ //- epsilon / kB []
+ scalar wellDepth_;
+
+ //- Lenard-Jones parameter - collision diameter []
+ scalar diameter_;
+
+ //- Dipole moment []
+ scalar dipoleMoment_;
+
+ //- Dipole polarizability []
+ scalar alpha_;
+
+ //- Quadrupole polarizability []
+ scalar alphaQ_;
+
+ //- Dispersion coefficient []
+ scalar C6_;
+
+ //- Rotational relaxation collision number []
+ scalar Zrot_;
+
+
+ // Private Member Functions
+
+ //- Disallow default bitwise copy construct
+ Neutral(const Neutral&);
+
+ //- Disallow default bitwise assignment
+ void operator=(const Neutral&);
+
+
+public:
+
+ // Static data members
+
+ //- Static data staticData
+ // static const dataType staticData;
+
+
+ // Constructors
+
+ //- Construct from components
+ Neutral(const dictionary& dict);
+
+ //- Construct from Istream
+ Neutral(Istream&);
+
+ //- Construct as copy
+ // Neutral(const Neutral&);
+
+
+ //- Destructor
+ ~Neutral();
+
+
+ // Member Functions
+
+ // Access
+ inline scalar wellDepth() const;
+
+ inline scalar diameter() const;
+
+ inline scalar dipoleMoment() const;
+
+ inline scalar alpha() const;
+
+ inline scalar alphaQ() const;
+
+ inline scalar C6() const;
+
+ inline scalar Zrot() const;
+
+ // Check
+
+ // Edit
+
+ // Write
+
+
+ // Member Operators
+
+ // void operator=(const Neutral&);
+
+
+ // Friend Functions
+
+ // Friend Operators
+
+ // IOstream Operators
+
+ friend Istream& operator>>(Istream&, Neutral&);
+ friend Ostream& operator<<(Ostream&, const Neutral&);
+};
+
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+} // End namespace Foam
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+#include "NeutralI.H"
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+#endif
+
+// ************************************************************************* //
diff --git a/diffusivityModel/Neutral/NeutralI.H b/diffusivityModel/Neutral/NeutralI.H
new file mode 100644
index 0000000..e47be06
--- /dev/null
+++ b/diffusivityModel/Neutral/NeutralI.H
@@ -0,0 +1,107 @@
+/*---------------------------------------------------------------------------*\
+ ========= |
+ \\ / F ield | OpenFOAM: The Open Source CFD Toolbox
+ \\ / O peration |
+ \\ / A nd | Copyright (C) 2016 OpenFOAM Foundation
+ \\/ M anipulation |
+-------------------------------------------------------------------------------
+License
+ This file is part of OpenFOAM.
+
+ OpenFOAM is free software: you can redistribute it and/or modify it
+ under the terms of the GNU General Public License as published by
+ the Free Software Foundation, either version 3 of the License, or
+ (at your option) any later version.
+
+ OpenFOAM is distributed in the hope that it will be useful, but WITHOUT
+ ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+ FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
+ for more details.
+
+ You should have received a copy of the GNU General Public License
+ along with OpenFOAM. If not, see .
+
+\*---------------------------------------------------------------------------*/
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+// * * * * * * * * * * * * * Private Member Functions * * * * * * * * * * * //
+
+
+// * * * * * * * * * * * * * * * * Constructors * * * * * * * * * * * * * * //
+
+
+// * * * * * * * * * * * * * * * * Destructor * * * * * * * * * * * * * * * //
+
+
+// * * * * * * * * * * * * * * * Member Functions * * * * * * * * * * * * * //
+
+inline Foam::scalar Foam::Neutral::wellDepth()
+ const
+{
+ return wellDepth_;
+}
+
+
+inline Foam::scalar Foam::Neutral::diameter()
+ const
+{
+ return diameter_;
+}
+
+
+inline Foam::scalar Foam::Neutral::dipoleMoment()
+ const
+{
+ return dipoleMoment_;
+}
+
+
+inline Foam::scalar Foam::Neutral::alpha()
+ const
+{
+ return alpha_;
+}
+
+
+inline Foam::scalar Foam::Neutral::alphaQ()
+ const
+{
+ return alphaQ_;
+}
+
+
+inline Foam::scalar Foam::Neutral::C6()
+ const
+{
+ return C6_;
+}
+
+
+inline Foam::scalar Foam::Neutral::Zrot()
+ const
+{
+ return Zrot_;
+}
+
+
+
+// * * * * * * * * * * * * * * * Member Operators * * * * * * * * * * * * * //
+
+
+// * * * * * * * * * * * * * * * Friend Functions * * * * * * * * * * * * * //
+
+
+// * * * * * * * * * * * * * * * Friend Operators * * * * * * * * * * * * * //
+
+
+// * * * * * * * * * * * * * * IOstream Operators * * * * * * * * * * * * * //
+
+
+// * * * * * * * * * * * * * * * Ostream Operator * * * * * * * * * * * * * //
+
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+
+// ************************************************************************* //
diff --git a/diffusivityModel/diffusivityModel/diffusivityModel.C b/diffusivityModel/diffusivityModel/diffusivityModel.C
index a808785..b276449 100644
--- a/diffusivityModel/diffusivityModel/diffusivityModel.C
+++ b/diffusivityModel/diffusivityModel/diffusivityModel.C
@@ -30,6 +30,7 @@ License
#include "volFieldsFwd.H"
#include "scalarMatrices.H"
#include "Particle.H"
+#include "Neutral.H"
// * * * * * * * * * * * * * * Static Data Members * * * * * * * * * * * * * //
@@ -115,7 +116,8 @@ Foam::diffusivityModel::diffusivityModel(const psiReactionThermo& thermo)
{
readNeutrals = true;
- // new Neutral (tranDict);
+ Neutral n(tranDict);
+ Info << n << endl;
}
}
/*