chemistryTabulationMethods: Untemplated to simply the code and reduce compilation time

With the changes to chemistryModel to evaluate and integrate reaction rates
mass-fraction based rather than mole-fraction based ISAT is now independent of
the thermodynamics and with some restructuring of chemistryModel and the
addition of the non-templated base-class odeChemistryModel is has been possible
to un-template chemistryTabulationMethods and ISAT in particular.  This
simplifies the ISAT code and hence maintenance as well as reducing the
compilation time of chemistryModel on the various thermo packages.

etc/codeTemplates/dynamicCode/basicChemistryModelTemplate.C

@@ -91,12 +91,10 @@ namespace Foam
 #if ${method}CppTest == chemistryModelCppTest
 
 #include "makeChemistryReductionMethod.H"
-#include "makeChemistryTabulationMethod.H"
 
 namespace Foam
 {
     defineChemistryReductionMethod(nullArg, ThermoPhysics);
-    defineChemistryTabulationMethod(nullArg, ThermoPhysics);
 }
 
 #include "noChemistryReduction.H"
@@ -116,14 +114,6 @@ namespace Foam
     makeChemistryReductionMethod(PFA, ThermoPhysics);
 }
 
-#include "noChemistryTabulation.H"
-#include "ISAT.H"
-namespace Foam
-{
-    makeChemistryTabulationMethod(none, ThermoPhysics);
-    makeChemistryTabulationMethod(ISAT, ThermoPhysics);
-}
-
 #endif
 
 

src/thermophysicalModels/chemistryModel/Make/files

@@ -6,6 +6,8 @@ chemistrySolver/noChemistrySolver/noChemistrySolvers.C
 chemistrySolver/EulerImplicit/EulerImplicitChemistrySolvers.C
 chemistrySolver/ode/odeChemistrySolvers.C
 
+odeChemistryModel/odeChemistryModel.C
+
 chemistryModel/reduction/chemistryReductionMethod/chemistryReductionMethods.C
 chemistryModel/reduction/noChemistryReduction/noChemistryReductionMethods.C
 chemistryModel/reduction/DAC/DACChemistryReductionMethods.C
@@ -14,9 +16,13 @@ chemistryModel/reduction/DRGEP/DRGEPChemistryReductionMethods.C
 chemistryModel/reduction/EFA/EFAChemistryReductionMethods.C
 chemistryModel/reduction/PFA/PFAChemistryReductionMethods.C
 
-chemistryModel/tabulation/chemistryTabulationMethod/chemistryTabulationMethods.C
+chemistryModel/tabulation/chemistryTabulationMethod/chemistryTabulationMethod.C
-chemistryModel/tabulation/noChemistryTabulation/noChemistryTabulationMethods.C
+chemistryModel/tabulation/chemistryTabulationMethod/chemistryTabulationMethodNew.C
-chemistryModel/tabulation/ISAT/ISATChemistryTabulationMethods.C
+chemistryModel/tabulation/noChemistryTabulation/noChemistryTabulation.C
+chemistryModel/tabulation/ISAT/ISAT.C
+chemistryModel/tabulation/ISAT/chemPointISAT/chemPointISAT.C
+chemistryModel/tabulation/ISAT/binaryNode/binaryNode.C
+chemistryModel/tabulation/ISAT/binaryTree/binaryTree.C
 
 reactions/makeReactions.C
 

src/thermophysicalModels/chemistryModel/chemistryModel/chemistryModel.C

@@ -36,8 +36,7 @@ Foam::chemistryModel<ThermoType>::chemistryModel
     const fluidReactionThermo& thermo
 )
 :
-    basicChemistryModel(thermo),
+    odeChemistryModel(thermo),
-    ODESystem(),
     log_(this->lookupOrDefault("log", false)),
     loadBalancing_(this->lookupOrDefault("loadBalancing", false)),
     jacobianType_
@@ -46,18 +45,14 @@ Foam::chemistryModel<ThermoType>::chemistryModel
       ? jacobianTypeNames_.read(this->lookup("jacobian"))
       : jacobianType::fast
     ),
-    Yvf_(this->thermo().composition().Y()),
     mixture_(refCast<const multiComponentMixture<ThermoType>>(this->thermo())),
     specieThermos_(mixture_.specieThermos()),
     reactions_(mixture_.species(), specieThermos_, this->mesh(), *this),
-    nSpecie_(Yvf_.size()),
     RR_(nSpecie_),
     Y_(nSpecie_),
     c_(nSpecie_),
     YTpWork_(scalarField(nSpecie_ + 2)),
     YTpYTpWork_(scalarSquareMatrix(nSpecie_ + 2)),
-    cTos_(nSpecie_, -1),
-    sToc_(nSpecie_),
     mechRedPtr_
     (
         chemistryReductionMethod<ThermoType>::New
@@ -67,15 +62,7 @@ Foam::chemistryModel<ThermoType>::chemistryModel
         )
     ),
     mechRed_(*mechRedPtr_),
-    mechRedActive_(mechRed_.active()),
+    tabulationPtr_(chemistryTabulationMethod::New(*this, *this)),
-    tabulationPtr_
-    (
-        chemistryTabulationMethod<ThermoType>::New
-        (
-            *this,
-            *this
-        )
-    ),
     tabulation_(*tabulationPtr_)
 {
     // Create the fields for the chemistry sources
@@ -105,7 +92,7 @@ Foam::chemistryModel<ThermoType>::chemistryModel
 
     // When the mechanism reduction method is used, the 'active' flag for every
     // species should be initialised (by default 'active' is true)
-    if (mechRedActive_)
+    if (reduction_)
     {
         const basicSpecieMixture& composition = this->thermo().composition();
 
@@ -153,7 +140,7 @@ void Foam::chemistryModel<ThermoType>::derivatives
     scalarField& dYTpdt
 ) const
 {
-    if (mechRedActive_)
+    if (reduction_)
     {
         forAll(sToc_, i)
         {
@@ -198,7 +185,7 @@ void Foam::chemistryModel<ThermoType>::derivatives
                 c_,
                 li,
                 dYTpdt,
-                mechRedActive_,
+                reduction_,
                 cTos_,
                 0
             );
@@ -246,7 +233,7 @@ void Foam::chemistryModel<ThermoType>::jacobian
     scalarSquareMatrix& J
 ) const
 {
-    if (mechRedActive_)
+    if (reduction_)
     {
         forAll(sToc_, i)
         {
@@ -334,7 +321,7 @@ void Foam::chemistryModel<ThermoType>::jacobian
                 li,
                 dYTpdt,
                 ddNdtByVdcTp,
-                mechRedActive_,
+                reduction_,
                 cTos_,
                 0,
                 nSpecie_,
@@ -688,7 +675,7 @@ void Foam::chemistryModel<ThermoType>::calculate()
                     c_,
                     celli,
                     dNdtByV,
-                    mechRedActive_,
+                    reduction_,
                     cTos_,
                     0
                 );
@@ -796,7 +783,7 @@ Foam::scalar Foam::chemistryModel<ThermoType>::solve
         // (it will either expand the current data or add a new stored point).
         else
         {
-            if (mechRedActive_)
+            if (reduction_)
             {
                 // Compute concentrations
                 for (label i=0; i<nSpecie_; i++)
@@ -825,7 +812,7 @@ Foam::scalar Foam::chemistryModel<ThermoType>::solve
             while (timeLeft > small)
             {
                 scalar dt = timeLeft;
-                if (mechRedActive_)
+                if (reduction_)
                 {
                     // Solve the reduced set of ODE
                     solve
@@ -880,7 +867,7 @@ Foam::scalar Foam::chemistryModel<ThermoType>::solve
             // When operations are done and if mechanism reduction is active,
             // the number of species (which also affects nEqns) is set back
             // to the total number of species (stored in the mechRed object)
-            if (mechRedActive_)
+            if (reduction_)
             {
                 setNSpecie(mechRed_.nSpecie());
             }
@@ -911,7 +898,7 @@ Foam::scalar Foam::chemistryModel<ThermoType>::solve
     mechRed_.update();
     tabulation_.update();
 
-    if (mechRedActive_ && Pstream::parRun())
+    if (reduction_ && Pstream::parRun())
     {
         List<bool> active(composition.active());
         Pstream::listCombineGather(active, orEqOp<bool>());

src/thermophysicalModels/chemistryModel/chemistryModel/chemistryModel.H

@@ -66,7 +66,7 @@ SourceFiles
 #ifndef chemistryModel_H
 #define chemistryModel_H
 
-#include "basicChemistryModel.H"
+#include "odeChemistryModel.H"
 #include "ReactionList.H"
 #include "ODESystem.H"
 #include "volFields.H"
@@ -74,7 +74,6 @@ SourceFiles
 #include "chemistryReductionMethod.H"
 #include "chemistryTabulationMethod.H"
 #include "DynamicField.H"
-#include "OFstream.H"
 
 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
@@ -88,8 +87,7 @@ namespace Foam
 template<class ThermoType>
 class chemistryModel
 :
-    public basicChemistryModel,
+    public odeChemistryModel
-    public ODESystem
 {
     // Private classes
 
@@ -136,9 +134,6 @@ class chemistryModel
         //- Type of the Jacobian to be calculated
         const jacobianType jacobianType_;
 
-        //- Reference to the field of specie mass fractions
-        const PtrList<volScalarField>& Yvf_;
-
         //- Reference to the multi component mixture
         const multiComponentMixture<ThermoType>& mixture_;
 
@@ -148,9 +143,6 @@ class chemistryModel
         //- Reactions
         const ReactionList<ThermoType> reactions_;
 
-        //- Number of species
-        label nSpecie_;
-
         //- List of reaction rate per specie [kg/m^3/s]
         PtrList<volScalarField::Internal> RR_;
 
@@ -172,27 +164,17 @@ class chemistryModel
         //- Specie-temperature-pressure workspace matrices
         mutable FixedList<scalarSquareMatrix, 2> YTpYTpWork_;
 
-        //- Temporary map from complete to simplified concentration fields
-        //  c -> sc
-        List<label> cTos_;
-
-        //- Temporary map from simplified to complete concentration fields
-        //  sc -> c
-        DynamicList<label> sToc_;
-
         //- Mechanism reduction method
         autoPtr<chemistryReductionMethod<ThermoType>> mechRedPtr_;
 
         //- Mechanism reduction method reference
         chemistryReductionMethod<ThermoType>& mechRed_;
 
-        bool mechRedActive_;
-
         //- Tabulation method
-        autoPtr<chemistryTabulationMethod<ThermoType>> tabulationPtr_;
+        autoPtr<chemistryTabulationMethod> tabulationPtr_;
 
         //- Tabulation method reference
-        chemistryTabulationMethod<ThermoType>& tabulation_;
+        chemistryTabulationMethod& tabulation_;
 
         //- Log file for average time spent solving the chemistry
         autoPtr<OFstream> cpuSolveFile_;
@@ -232,9 +214,6 @@ public:
 
     // Member Functions
 
-        //- Create and return a TDAC log file of the given name
-        inline autoPtr<OFstream> logFile(const word& name) const;
-
         //- Return reference to the mixture
         inline const multiComponentMixture<ThermoType>& mixture() const;
 
@@ -244,9 +223,6 @@ public:
         //- Thermodynamic data of the species
         inline const PtrList<ThermoType>& specieThermos() const;
 
-        //- The number of species
-        virtual inline label nSpecie() const;
-
         //- The number of reactions
         virtual inline label nReaction() const;
 
@@ -293,9 +269,6 @@ public:
 
         // ODE functions (overriding abstract functions in ODE.H)
 
-            //- Number of ODE's to solve
-            inline virtual label nEqns() const;
-
             virtual void derivatives
             (
                 const scalar t,
@@ -324,32 +297,14 @@ public:
             ) const = 0;
 
 
-        //- Return a reference to the list of mass fraction fields
-        inline const PtrList<volScalarField>& Y() const;
-
-
         // Mechanism reduction access functions
 
-            //- Return true if mechanism reduction is active
-            inline bool reduction() const;
-
-            //- Allow the reduction method to reset the number of species
-            inline void setNSpecie(const label newNs);
-
             //- Return true if specie i is active
             inline bool active(const label i) const;
 
             //- Set specie i active
             inline void setActive(const label i);
 
-            //- Return the index in the complete set of species
-            //  corresponding to the index si in the simplified set of species
-            inline label sToc(const label si) const;
-
-            //- Return the index in the simplified set of species
-            //  corresponding to the index si in the complete set of species
-            inline label cTos(const label ci) const;
-
 
     // Member Operators
 

src/thermophysicalModels/chemistryModel/chemistryModel/chemistryModelI.H

@@ -23,32 +23,8 @@ License
 
 \*---------------------------------------------------------------------------*/
 
-#include "OSspecific.H"
-
 // * * * * * * * * * * * * * * * Member Functions  * * * * * * * * * * * * * //
 
-template<class ThermoType>
-inline Foam::autoPtr<Foam::OFstream>
-Foam::chemistryModel<ThermoType>::logFile(const word& name) const
-{
-    mkDir(this->mesh().time().path()/"TDAC"/this->group());
-    return autoPtr<OFstream>
-    (
-        new OFstream
-        (
-            this->mesh().time().path()/"TDAC"/this->group()/name
-        )
-    );
-}
-
-template<class ThermoType>
-inline Foam::label Foam::chemistryModel<ThermoType>::nEqns() const
-{
-    // nEqns = number of species + temperature + pressure
-    return nSpecie_ + 2;
-}
-
-
 template<class ThermoType>
 inline Foam::PtrList<Foam::DimensionedField<Foam::scalar, Foam::volMesh>>&
 Foam::chemistryModel<ThermoType>::RR()
@@ -81,13 +57,6 @@ Foam::chemistryModel<ThermoType>::specieThermos() const
 }
 
 
-template<class ThermoType>
-inline Foam::label Foam::chemistryModel<ThermoType>::nSpecie() const
-{
-    return nSpecie_;
-}
-
-
 template<class ThermoType>
 inline Foam::label Foam::chemistryModel<ThermoType>::nReaction() const
 {
@@ -102,6 +71,7 @@ Foam::chemistryModel<ThermoType>::RR(const label i) const
     return RR_[i];
 }
 
+
 template<class ThermoType>
 Foam::DimensionedField<Foam::scalar, Foam::volMesh>&
 Foam::chemistryModel<ThermoType>::RR(const label i)
@@ -110,21 +80,6 @@ Foam::chemistryModel<ThermoType>::RR(const label i)
 }
 
 
-template<class ThermoType>
-inline const Foam::PtrList<Foam::volScalarField>&
-Foam::chemistryModel<ThermoType>::Y() const
-{
-    return this->Yvf_;
-}
-
-
-template<class ThermoType>
-inline bool Foam::chemistryModel<ThermoType>::reduction() const
-{
-    return mechRedActive_;
-}
-
-
 template<class ThermoType>
 inline void Foam::chemistryModel<ThermoType>::setActive(const label i)
 {
@@ -139,45 +94,4 @@ inline bool Foam::chemistryModel<ThermoType>::active(const label i) const
 }
 
 
-template<class ThermoType>
-inline void Foam::chemistryModel<ThermoType>::setNSpecie(const label newNs)
-{
-    this->nSpecie_ = newNs;
-}
-
-
-template<class ThermoType>
-inline Foam::label Foam::chemistryModel<ThermoType>::sToc
-(
-    const label si
-) const
-{
-    if (mechRedActive_)
-    {
-        return sToc_[si];
-    }
-    else
-    {
-        return si;
-    }
-}
-
-
-template<class ThermoType>
-inline Foam::label Foam::chemistryModel<ThermoType>::cTos
-(
-    const label ci
-) const
-{
-    if (mechRedActive_)
-    {
-        return cTos_[ci];
-    }
-    else
-    {
-        return ci;
-    }
-}
-
-
 // ************************************************************************* //

src/thermophysicalModels/chemistryModel/chemistryModel/reduction/chemistryReductionMethod/chemistryReductionMethodNew.C

@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     | Website:  https://openfoam.org
-    \\  /    A nd           | Copyright (C) 2016-2021 OpenFOAM Foundation
+    \\  /    A nd           | Copyright (C) 2016-2022 OpenFOAM Foundation
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
@@ -86,10 +86,14 @@ Foam::chemistryReductionMethod<ThermoType>::New
                 << exit(FatalError);
         }
 
-        return autoPtr<chemistryReductionMethod<ThermoType>>
+        autoPtr<chemistryReductionMethod<ThermoType>> crmPtr
         (
             cstrIter()(dict, chemistry)
         );
+
+        chemistry.reduction_ = crmPtr->active();
+
+        return crmPtr;
     }
     else
     {

src/thermophysicalModels/chemistryModel/chemistryModel/tabulation/ISAT/ISAT.C

@@ -24,18 +24,32 @@ License
 \*---------------------------------------------------------------------------*/
 
 #include "ISAT.H"
+#include "odeChemistryModel.H"
 #include "LUscalarMatrix.H"
+#include "addToRunTimeSelectionTable.H"
+
+
+/* * * * * * * * * * * * * * * Static Member Data  * * * * * * * * * * * * * */
+
+namespace Foam
+{
+namespace chemistryTabulationMethods
+{
+    defineTypeNameAndDebug(ISAT, 0);
+    addToRunTimeSelectionTable(chemistryTabulationMethod, ISAT, dictionary);
+}
+}
+
 
 // * * * * * * * * * * * * * * * * Constructors  * * * * * * * * * * * * * * //
 
-template<class ThermoType>
+Foam::chemistryTabulationMethods::ISAT::ISAT
-Foam::chemistryTabulationMethods::ISAT<ThermoType>::ISAT
 (
     const dictionary& chemistryProperties,
-    const chemistryModel<ThermoType>& chemistry
+    const odeChemistryModel& chemistry
 )
 :
-    chemistryTabulationMethod<ThermoType>
+    chemistryTabulationMethod
     (
         chemistryProperties,
         chemistry
@@ -135,24 +149,22 @@ Foam::chemistryTabulationMethods::ISAT<ThermoType>::ISAT
 
 // * * * * * * * * * * * * * * * * Destructor  * * * * * * * * * * * * * * * //
 
-template<class ThermoType>
+Foam::chemistryTabulationMethods::ISAT::~ISAT()
-Foam::chemistryTabulationMethods::ISAT<ThermoType>::~ISAT()
 {}
 
 
 // * * * * * * * * * * * * * Private Member Functions  * * * * * * * * * * * //
 
-template<class ThermoType>
+void Foam::chemistryTabulationMethods::ISAT::addToMRU
-void Foam::chemistryTabulationMethods::ISAT<ThermoType>::addToMRU
 (
-    chemPointISAT<ThermoType>* phi0
+    chemPointISAT* phi0
 )
 {
     if (maxMRUSize_ > 0 && MRURetrieve_)
     {
         // First search if the chemPoint is already in the list
         bool isInList = false;
-        typename SLList <chemPointISAT<ThermoType>*>::iterator iter =
+        typename SLList <chemPointISAT*>::iterator iter =
             MRUList_.begin();
         for ( ; iter != MRUList_.end(); ++iter)
         {
@@ -190,10 +202,9 @@ void Foam::chemistryTabulationMethods::ISAT<ThermoType>::addToMRU
 }
 
 
-template<class ThermoType>
+void Foam::chemistryTabulationMethods::ISAT::calcNewC
-void Foam::chemistryTabulationMethods::ISAT<ThermoType>::calcNewC
 (
-    chemPointISAT<ThermoType>* phi0,
+    chemPointISAT* phi0,
     const scalarField& phiq,
     scalarField& Rphiq
 )
@@ -258,10 +269,9 @@ void Foam::chemistryTabulationMethods::ISAT<ThermoType>::calcNewC
 }
 
 
-template<class ThermoType>
+bool Foam::chemistryTabulationMethods::ISAT::grow
-bool Foam::chemistryTabulationMethods::ISAT<ThermoType>::grow
 (
-    chemPointISAT<ThermoType>* phi0,
+    chemPointISAT* phi0,
     const scalarField& phiq,
     const scalarField& Rphiq
 )
@@ -296,18 +306,16 @@ bool Foam::chemistryTabulationMethods::ISAT<ThermoType>::grow
 }
 
 
-template<class ThermoType>
+bool Foam::chemistryTabulationMethods::ISAT::cleanAndBalance()
-bool
-Foam::chemistryTabulationMethods::ISAT<ThermoType>::cleanAndBalance()
 {
     bool treeModified(false);
 
     // Check all chemPoints to see if we need to delete some of the chemPoints
     // according to the elapsed time and number of growths
-    chemPointISAT<ThermoType>* x = chemisTree_.treeMin();
+    chemPointISAT* x = chemisTree_.treeMin();
     while(x != nullptr)
     {
-        chemPointISAT<ThermoType>* xtmp = chemisTree_.treeSuccessor(x);
+        chemPointISAT* xtmp = chemisTree_.treeSuccessor(x);
 
         const scalar elapsedTimeSteps = timeSteps() - x->timeTag();
 
@@ -341,8 +349,7 @@ Foam::chemistryTabulationMethods::ISAT<ThermoType>::cleanAndBalance()
 }
 
 
-template<class ThermoType>
+void Foam::chemistryTabulationMethods::ISAT::computeA
-void Foam::chemistryTabulationMethods::ISAT<ThermoType>::computeA
 (
     scalarSquareMatrix& A,
     const scalarField& Rphiq,
@@ -400,8 +407,7 @@ void Foam::chemistryTabulationMethods::ISAT<ThermoType>::computeA
 
 // * * * * * * * * * * * * * * * Member Functions  * * * * * * * * * * * * * //
 
-template<class ThermoType>
+bool Foam::chemistryTabulationMethods::ISAT::retrieve
-bool Foam::chemistryTabulationMethods::ISAT<ThermoType>::retrieve
 (
     const Foam::scalarField& phiq,
     scalarField& Rphiq
@@ -413,7 +419,7 @@ bool Foam::chemistryTabulationMethods::ISAT<ThermoType>::retrieve
     }
 
     bool retrieved(false);
-    chemPointISAT<ThermoType>* phi0;
+    chemPointISAT* phi0;
 
     // If the tree is not empty
     if (chemisTree_.size())
@@ -437,7 +443,7 @@ bool Foam::chemistryTabulationMethods::ISAT<ThermoType>::retrieve
         {
             typename SLList
             <
-                chemPointISAT<ThermoType>*
+                chemPointISAT*
             >::iterator iter = MRUList_.begin();
 
             for ( ; iter != MRUList_.end(); ++iter)
@@ -485,8 +491,7 @@ bool Foam::chemistryTabulationMethods::ISAT<ThermoType>::retrieve
 }
 
 
-template<class ThermoType>
+Foam::label Foam::chemistryTabulationMethods::ISAT::add
-Foam::label Foam::chemistryTabulationMethods::ISAT<ThermoType>::add
 (
     const scalarField& phiq,
     const scalarField& Rphiq,
@@ -534,20 +539,20 @@ Foam::label Foam::chemistryTabulationMethods::ISAT<ThermoType>::add
         // It can be partially rebuild with the MRU list if this is used.
         if (!cleanAndBalance())
         {
-            DynamicList<chemPointISAT<ThermoType>*> tempList;
+            DynamicList<chemPointISAT*> tempList;
             if (maxMRUSize_>0)
             {
                 // Create a copy of each chemPointISAT of the MRUList_ before
                 // they are deleted
                 typename SLList
                 <
-                    chemPointISAT<ThermoType>*
+                    chemPointISAT*
                 >::iterator iter = MRUList_.begin();
                 for ( ; iter != MRUList_.end(); ++iter)
                 {
                     tempList.append
                     (
-                        new chemPointISAT<ThermoType>(*iter())
+                        new chemPointISAT(*iter())
                     );
                 }
             }
@@ -558,7 +563,7 @@ Foam::label Foam::chemistryTabulationMethods::ISAT<ThermoType>::add
 
             // Construct the tree without giving a reference to attach to it
             // since the structure has been completely discarded
-            chemPointISAT<ThermoType>* nulPhi = 0;
+            chemPointISAT* nulPhi = 0;
             forAll(tempList, i)
             {
                 chemisTree().insertNewLeaf
@@ -614,8 +619,7 @@ Foam::label Foam::chemistryTabulationMethods::ISAT<ThermoType>::add
 }
 
 
-template<class ThermoType>
+void Foam::chemistryTabulationMethods::ISAT::writePerformance()
-void Foam::chemistryTabulationMethods::ISAT<ThermoType>::writePerformance()
 {
     if (log_)
     {
@@ -653,8 +657,7 @@ void Foam::chemistryTabulationMethods::ISAT<ThermoType>::writePerformance()
 }
 
 
-template<class ThermoType>
+void Foam::chemistryTabulationMethods::ISAT::reset()
-void Foam::chemistryTabulationMethods::ISAT<ThermoType>::reset()
 {
     // Increment counter of time-step
     timeSteps_++;
@@ -666,8 +669,7 @@ void Foam::chemistryTabulationMethods::ISAT<ThermoType>::reset()
 }
 
 
-template<class ThermoType>
+bool Foam::chemistryTabulationMethods::ISAT::update()
-bool Foam::chemistryTabulationMethods::ISAT<ThermoType>::update()
 {
     bool updated = cleanAndBalance();
     writePerformance();

src/thermophysicalModels/chemistryModel/chemistryModel/tabulation/ISAT/ISAT.H

@@ -41,7 +41,11 @@ Description
 #ifndef ISAT_H
 #define ISAT_H
 
+#include "chemistryTabulationMethod.H"
 #include "binaryTree.H"
+#include "volFields.H"
+#include "OFstream.H"
+#include "cpuTime.H"
 
 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
@@ -54,16 +58,15 @@ namespace chemistryTabulationMethods
                             Class ISAT Declaration
 \*---------------------------------------------------------------------------*/
 
-template<class ThermoType>
 class ISAT
 :
-    public chemistryTabulationMethod<ThermoType>
+    public chemistryTabulationMethod
 {
     // Private Data
 
         const dictionary coeffsDict_;
 
-        const chemistryModel<ThermoType>& chemistry_;
+        const odeChemistryModel& chemistry_;
 
         //- Switch to select performance logging
         Switch log_;
@@ -72,7 +75,7 @@ class ISAT
         const bool reduction_;
 
         //- List of the stored 'points' organised in a binary tree
-        binaryTree<ThermoType> chemisTree_;
+        binaryTree chemisTree_;
 
         //- List of scale factors for species, temperature and pressure
         scalarField scaleFactor_;
@@ -101,13 +104,13 @@ class ISAT
         Switch MRURetrieve_;
 
         //- Most Recently Used (MRU) list of chemPoint
-        SLList<chemPointISAT<ThermoType>*> MRUList_;
+        SLList<chemPointISAT*> MRUList_;
 
         //- Maximum size of the MRU list
         label maxMRUSize_;
 
         //- Store a pointer to the last chemPointISAT found
-        chemPointISAT<ThermoType>* lastSearch_;
+        chemPointISAT* lastSearch_;
 
         //- Switch to allow growth (on by default)
         Switch growPoints_;
@@ -150,7 +153,7 @@ class ISAT
     // Private Member Functions
 
         //- Add a chemPoint to the MRU list
-        void addToMRU(chemPointISAT<ThermoType>* phi0);
+        void addToMRU(chemPointISAT* phi0);
 
         //- Compute and return the mapping of the composition phiq
         //  Input : phi0 the nearest chemPoint used in the linear interpolation
@@ -161,7 +164,7 @@ class ISAT
         //  Rphiq = Rphi0 + A * (phiq-phi0)
         void calcNewC
         (
-            chemPointISAT<ThermoType>* phi0,
+            chemPointISAT* phi0,
             const scalarField& phiq,
             scalarField& Rphiq
         );
@@ -175,7 +178,7 @@ class ISAT
         //  Output: true if phiq is in the EOA, false if not
         bool grow
         (
-            chemPointISAT<ThermoType>* phi0,
+            chemPointISAT* phi0,
             const scalarField& phiq,
             const scalarField& Rphiq
         );
@@ -216,7 +219,7 @@ public:
         ISAT
         (
             const dictionary& chemistryProperties,
-            const chemistryModel<ThermoType>& chemistry
+            const odeChemistryModel& chemistry
         );
 
         //- Disallow default bitwise copy construction
@@ -241,12 +244,12 @@ public:
             return reduction_;
         }
 
-        const chemistryModel<ThermoType>& chemistry()
+        const odeChemistryModel& chemistry()
         {
             return chemistry_;
         }
 
-        inline binaryTree<ThermoType>& chemisTree()
+        inline binaryTree& chemisTree()
         {
             return chemisTree_;
         }
@@ -298,12 +301,6 @@ public:
 
 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
-#ifdef NoRepository
-    #include "ISAT.C"
-#endif
-
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-
 #endif
 
 // ************************************************************************* //

src/thermophysicalModels/chemistryModel/chemistryModel/tabulation/ISAT/binaryNode/binaryNode.C

@@ -24,11 +24,11 @@ License
 \*---------------------------------------------------------------------------*/
 
 #include "binaryNode.H"
+#include "ISAT.H"
 
 // * * * * * * * * * * * * * * * * Constructors  * * * * * * * * * * * * * * //
 
-template<class ThermoType>
+Foam::binaryNode::binaryNode()
-Foam::binaryNode<ThermoType>::binaryNode()
 :
     leafLeft_(nullptr),
     leafRight_(nullptr),
@@ -38,12 +38,11 @@ Foam::binaryNode<ThermoType>::binaryNode()
 {}
 
 
-template<class ThermoType>
+Foam::binaryNode::binaryNode
-Foam::binaryNode<ThermoType>::binaryNode
 (
-    chemPointISAT<ThermoType>* elementLeft,
+    chemPointISAT* elementLeft,
-    chemPointISAT<ThermoType>* elementRight,
+    chemPointISAT* elementRight,
-    binaryNode<ThermoType>* parent
+    binaryNode* parent
 )
 :
     leafLeft_(elementLeft),
@@ -60,11 +59,10 @@ Foam::binaryNode<ThermoType>::binaryNode
 
 // * * * * * * * * * * * * * * * Member Functions  * * * * * * * * * * * * * //
 
-template<class ThermoType>
+void Foam::binaryNode::calcV
-void Foam::binaryNode<ThermoType>::calcV
 (
-    chemPointISAT<ThermoType>*& elementLeft,
+    chemPointISAT*& elementLeft,
-    chemPointISAT<ThermoType>*& elementRight,
+    chemPointISAT*& elementRight,
     scalarField& v
 )
 {
@@ -140,11 +138,10 @@ void Foam::binaryNode<ThermoType>::calcV
 }
 
 
-template<class ThermoType>
+Foam::scalar Foam::binaryNode::calcA
-Foam::scalar Foam::binaryNode<ThermoType>::calcA
 (
-    chemPointISAT<ThermoType>* elementLeft,
+    chemPointISAT* elementLeft,
-    chemPointISAT<ThermoType>* elementRight
+    chemPointISAT* elementRight
 )
 {
     scalarField phih((elementLeft->phi() + elementRight->phi())/2);

src/thermophysicalModels/chemistryModel/chemistryModel/tabulation/ISAT/binaryNode/binaryNode.H

@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     | Website:  https://openfoam.org
-    \\  /    A nd           | Copyright (C) 2016-2021 OpenFOAM Foundation
+    \\  /    A nd           | Copyright (C) 2016-2022 OpenFOAM Foundation
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
@@ -46,26 +46,25 @@ namespace Foam
                          Class binaryNode Declaration
 \*---------------------------------------------------------------------------*/
 
-template<class ThermoType>
 class binaryNode
 {
 
 public:
 
     //- Element on the left
-    chemPointISAT<ThermoType>* leafLeft_;
+    chemPointISAT* leafLeft_;
 
     //- Element on the right
-    chemPointISAT<ThermoType>* leafRight_;
+    chemPointISAT* leafRight_;
 
     //- Node which follows on the left
-    binaryNode<ThermoType>* nodeLeft_;
+    binaryNode* nodeLeft_;
 
     //- Node which follows on the right
-    binaryNode<ThermoType>* nodeRight_;
+    binaryNode* nodeRight_;
 
     //- Parent node
-    binaryNode<ThermoType>* parent_;
+    binaryNode* parent_;
 
     scalarField v_;
 
@@ -102,8 +101,8 @@ public:
     //  Returnq: void (v is stored in the empty scalarField)
     void calcV
     (
-        chemPointISAT<ThermoType>*& elementLeft,
+        chemPointISAT*& elementLeft,
-        chemPointISAT<ThermoType>*& elementRight,
+        chemPointISAT*& elementRight,
         scalarField& v
     );
 
@@ -115,8 +114,8 @@ public:
     // part (where phi0 is).
     scalar calcA
     (
-        chemPointISAT<ThermoType>* elementLeft,
+        chemPointISAT* elementLeft,
-        chemPointISAT<ThermoType>* elementRight
+        chemPointISAT* elementRight
     );
 
     // Constructors
@@ -127,9 +126,9 @@ public:
         //- Construct from components
         binaryNode
         (
-            chemPointISAT<ThermoType>* elementLeft,
+            chemPointISAT* elementLeft,
-            chemPointISAT<ThermoType>* elementRight,
+            chemPointISAT* elementRight,
-            binaryNode<ThermoType>* parent
+            binaryNode* parent
         );
 
 
@@ -137,27 +136,27 @@ public:
 
         //- Access
 
-            inline chemPointISAT<ThermoType>*& leafLeft()
+            inline chemPointISAT*& leafLeft()
             {
                 return leafLeft_;
             }
 
-            inline chemPointISAT<ThermoType>*& leafRight()
+            inline chemPointISAT*& leafRight()
             {
                 return leafRight_;
             }
 
-            inline binaryNode<ThermoType>*& nodeLeft()
+            inline binaryNode*& nodeLeft()
             {
                 return nodeLeft_;
             }
 
-            inline binaryNode<ThermoType>*& nodeRight()
+            inline binaryNode*& nodeRight()
             {
                 return nodeRight_;
             }
 
-            inline binaryNode<ThermoType>*& parent()
+            inline binaryNode*& parent()
             {
                 return parent_;
             }
@@ -192,12 +191,6 @@ public:
 
 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
-#ifdef NoRepository
-    #include "binaryNode.C"
-#endif
-
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-
 #endif
 
 // ************************************************************************* //

src/thermophysicalModels/chemistryModel/chemistryModel/tabulation/ISAT/binaryTree/binaryTree.C

@@ -25,11 +25,11 @@ License
 
 #include "binaryTree.H"
 #include "SortableList.H"
+#include "demandDrivenData.H"
 
 // * * * * * * * * * * * * Private Member Functions  * * * * * * * * * * * * //
 
-template<class ThermoType>
+void Foam::binaryTree::insertNode(chP*& phi0, bn*& newNode)
-void Foam::binaryTree<ThermoType>::insertNode(chP*& phi0, bn*& newNode)
 {
     if (phi0 == phi0->node()->leafRight())// phi0 is on the right
     {
@@ -52,8 +52,7 @@ void Foam::binaryTree<ThermoType>::insertNode(chP*& phi0, bn*& newNode)
 }
 
 
-template<class ThermoType>
+bool Foam::binaryTree::inSubTree
-bool Foam::binaryTree<ThermoType>::inSubTree
 (
     const scalarField& phiq,
     bn* y,
@@ -157,8 +156,7 @@ bool Foam::binaryTree<ThermoType>::inSubTree
 }
 
 
-template<class ThermoType>
+void Foam::binaryTree::deleteSubTree(bn* subTreeRoot)
-void Foam::binaryTree<ThermoType>::deleteSubTree(bn* subTreeRoot)
 {
     if (subTreeRoot != nullptr)
     {
@@ -171,8 +169,7 @@ void Foam::binaryTree<ThermoType>::deleteSubTree(bn* subTreeRoot)
 }
 
 
-template<class ThermoType>
+void Foam::binaryTree::transplant(bn* u, bn* v)
-void Foam::binaryTree<ThermoType>::transplant(bn* u, bn* v)
 {
     if (v != nullptr)
     {
@@ -208,9 +205,7 @@ void Foam::binaryTree<ThermoType>::transplant(bn* u, bn* v)
 }
 
 
-template<class ThermoType>
+Foam::chemPointISAT* Foam::binaryTree::chemPSibling(bn* y)
-Foam::chemPointISAT<ThermoType>*
-Foam::binaryTree<ThermoType>::chemPSibling(bn* y)
 {
     if (y->parent() != nullptr)
     {
@@ -237,9 +232,7 @@ Foam::binaryTree<ThermoType>::chemPSibling(bn* y)
 }
 
 
-template<class ThermoType>
+Foam::chemPointISAT* Foam::binaryTree::chemPSibling(chP* x)
-Foam::chemPointISAT<ThermoType>*
-Foam::binaryTree<ThermoType>::chemPSibling(chP* x)
 {
     if (size_>1)
     {
@@ -267,8 +260,7 @@ Foam::binaryTree<ThermoType>::chemPSibling(chP* x)
 }
 
 
-template<class ThermoType>
+Foam::binaryNode* Foam::binaryTree::nodeSibling(bn* y)
-Foam::binaryNode<ThermoType>* Foam::binaryTree<ThermoType>::nodeSibling(bn* y)
 {
     if (y->parent()!=nullptr)
     {
@@ -293,8 +285,7 @@ Foam::binaryNode<ThermoType>* Foam::binaryTree<ThermoType>::nodeSibling(bn* y)
 }
 
 
-template<class ThermoType>
+Foam::binaryNode* Foam::binaryTree::nodeSibling(chP* x)
-Foam::binaryNode<ThermoType>* Foam::binaryTree<ThermoType>::nodeSibling(chP* x)
 {
     if (size_>1)
     {
@@ -320,8 +311,7 @@ Foam::binaryNode<ThermoType>* Foam::binaryTree<ThermoType>::nodeSibling(chP* x)
 }
 
 
-template<class ThermoType>
+void Foam::binaryTree::deleteAllNode(bn* subTreeRoot)
-void Foam::binaryTree<ThermoType>::deleteAllNode(bn* subTreeRoot)
 {
     if (subTreeRoot != nullptr)
     {
@@ -334,10 +324,9 @@ void Foam::binaryTree<ThermoType>::deleteAllNode(bn* subTreeRoot)
 
 // * * * * * * * * * * * * * * * * Constructors  * * * * * * * * * * * * * * //
 
-template<class ThermoType>
+Foam::binaryTree::binaryTree
-Foam::binaryTree<ThermoType>::binaryTree
 (
-    chemistryTabulationMethods::ISAT<ThermoType>& table,
+    chemistryTabulationMethods::ISAT& table,
     dictionary coeffsDict
 )
 :
@@ -352,8 +341,7 @@ Foam::binaryTree<ThermoType>::binaryTree
 
 // * * * * * * * * * * * * * * * Member Functions  * * * * * * * * * * * * * //
 
-template<class ThermoType>
+Foam::label Foam::binaryTree::depth(bn* subTreeRoot)
-Foam::label Foam::binaryTree<ThermoType>::depth(bn* subTreeRoot)
 {
     // when we reach the leaf, we return 0
     if (subTreeRoot == nullptr)
@@ -373,8 +361,7 @@ Foam::label Foam::binaryTree<ThermoType>::depth(bn* subTreeRoot)
 }
 
 
-template<class ThermoType>
+void Foam::binaryTree::insertNewLeaf
-void Foam::binaryTree<ThermoType>::insertNewLeaf
 (
     const scalarField& phiq,
     const scalarField& Rphiq,
@@ -459,8 +446,7 @@ void Foam::binaryTree<ThermoType>::insertNewLeaf
 }
 
 
-template<class ThermoType>
+void Foam::binaryTree::binaryTreeSearch
-void Foam::binaryTree<ThermoType>::binaryTreeSearch
 (
     const scalarField& phiq,
     bn* node,
@@ -513,8 +499,7 @@ void Foam::binaryTree<ThermoType>::binaryTreeSearch
 }
 
 
-template<class ThermoType>
+bool Foam::binaryTree::secondaryBTSearch
-bool Foam::binaryTree<ThermoType>::secondaryBTSearch
 (
     const scalarField& phiq,
     chP*& x
@@ -571,8 +556,7 @@ bool Foam::binaryTree<ThermoType>::secondaryBTSearch
 }
 
 
-template<class ThermoType>
+void Foam::binaryTree::deleteLeaf(chP*& phi0)
-void Foam::binaryTree<ThermoType>::deleteLeaf(chP*& phi0)
 {
     if (size_ == 1) // only one point is stored
     {
@@ -634,8 +618,7 @@ void Foam::binaryTree<ThermoType>::deleteLeaf(chP*& phi0)
 }
 
 
-template<class ThermoType>
+void Foam::binaryTree::balance()
-void Foam::binaryTree<ThermoType>::balance()
 {
     //1) walk through the entire tree by starting with the tree's most left
     // chemPoint
@@ -727,9 +710,7 @@ void Foam::binaryTree<ThermoType>::balance()
 }
 
 
-template<class ThermoType>
+Foam::chemPointISAT* Foam::binaryTree::treeMin(bn* subTreeRoot)
-Foam::chemPointISAT<ThermoType>*
-Foam::binaryTree<ThermoType>::treeMin(bn* subTreeRoot)
 {
     if (subTreeRoot!=nullptr)
     {
@@ -746,9 +727,7 @@ Foam::binaryTree<ThermoType>::treeMin(bn* subTreeRoot)
 }
 
 
-template<class ThermoType>
+Foam::chemPointISAT* Foam::binaryTree::treeSuccessor(chP* x)
-Foam::chemPointISAT<ThermoType>*
-Foam::binaryTree<ThermoType>::treeSuccessor(chP* x)
 {
     if (size_>1)
     {
@@ -799,8 +778,7 @@ Foam::binaryTree<ThermoType>::treeSuccessor(chP* x)
 }
 
 
-template<class ThermoType>
+void Foam::binaryTree::clear()
-void Foam::binaryTree<ThermoType>::clear()
 {
     // Recursively delete the element in the subTree
     deleteSubTree();
@@ -813,15 +791,13 @@ void Foam::binaryTree<ThermoType>::clear()
 }
 
 
-template<class ThermoType>
+bool Foam::binaryTree::isFull()
-bool Foam::binaryTree<ThermoType>::isFull()
 {
     return size_ >= maxNLeafs_;
 }
 
 
-template<class ThermoType>
+void Foam::binaryTree::resetNumRetrieve()
-void Foam::binaryTree<ThermoType>::resetNumRetrieve()
 {
     // Has to go along each chP of the tree
     if (size_ > 0)

src/thermophysicalModels/chemistryModel/chemistryModel/tabulation/ISAT/binaryTree/binaryTree.H

@@ -55,15 +55,14 @@ namespace Foam
                            Class binaryTree Declaration
 \*---------------------------------------------------------------------------*/
 
-template<class ThermoType>
 class binaryTree
 {
 public:
 
     // Public Typedefs
 
-        typedef binaryNode<ThermoType> bn;
+        typedef binaryNode bn;
-        typedef chemPointISAT<ThermoType> chP;
+        typedef chemPointISAT chP;
 
 
 private:
@@ -71,7 +70,7 @@ private:
     // Private Data
 
         //- Reference to the ISAT table
-        chemistryTabulationMethods::ISAT<ThermoType>& table_;
+        chemistryTabulationMethods::ISAT& table_;
 
         //- Root node of the binary tree
         bn *root_;
@@ -105,7 +104,7 @@ private:
             chP* x
         );
 
-        void deleteSubTree(binaryNode<ThermoType>* subTreeRoot);
+        void deleteSubTree(binaryNode* subTreeRoot);
 
         inline void deleteSubTree()
         {
@@ -135,7 +134,7 @@ public:
         //- Construct from dictionary and chemistryOnLineLibrary
         binaryTree
         (
-            chemistryTabulationMethods::ISAT<ThermoType>& table,
+            chemistryTabulationMethods::ISAT& table,
             dictionary coeffsDict
         );
 
@@ -251,12 +250,6 @@ public:
 
 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
-#ifdef NoRepository
-    #include "binaryTree.C"
-#endif
-
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-
 #endif
 
 // ************************************************************************* //

src/thermophysicalModels/chemistryModel/chemistryModel/tabulation/ISAT/chemPointISAT/chemPointISAT.C

@@ -24,19 +24,19 @@ License
 \*---------------------------------------------------------------------------*/
 
 #include "chemPointISAT.H"
+#include "ISAT.H"
+#include "odeChemistryModel.H"
 #include "SVD.H"
 
 // * * * * * * * * * * * * * * Static Data Members * * * * * * * * * * * * * //
 
 // Defined as static to be able to dynamically change it during simulations
 // (all chemPoints refer to the same object)
-template<class ThermoType>
+Foam::scalar Foam::chemPointISAT::tolerance_;
-Foam::scalar Foam::chemPointISAT<ThermoType>::tolerance_;
 
 // * * * * * * * * * * * * Private Member Functions  * * * * * * * * * * * * //
 
-template<class ThermoType>
+void Foam::chemPointISAT::qrDecompose
-void Foam::chemPointISAT<ThermoType>::qrDecompose
 (
     const label nCols,
     scalarSquareMatrix& R
@@ -102,8 +102,7 @@ void Foam::chemPointISAT<ThermoType>::qrDecompose
 }
 
 
-template<class ThermoType>
+void Foam::chemPointISAT::qrUpdate
-void Foam::chemPointISAT<ThermoType>::qrUpdate
 (
     scalarSquareMatrix& R,
     const label n,
@@ -156,8 +155,7 @@ void Foam::chemPointISAT<ThermoType>::qrUpdate
 }
 
 
-template<class ThermoType>
+void Foam::chemPointISAT::rotate
-void Foam::chemPointISAT<ThermoType>::rotate
 (
     scalarSquareMatrix& R,
     const label i,
@@ -196,10 +194,9 @@ void Foam::chemPointISAT<ThermoType>::rotate
 
 // * * * * * * * * * * * * * * * * Constructors  * * * * * * * * * * * * * * //
 
-template<class ThermoType>
+Foam::chemPointISAT::chemPointISAT
-Foam::chemPointISAT<ThermoType>::chemPointISAT
 (
-    chemistryTabulationMethods::ISAT<ThermoType>& table,
+    chemistryTabulationMethods::ISAT& table,
     const scalarField& phi,
     const scalarField& Rphi,
     const scalarSquareMatrix& A,
@@ -208,7 +205,7 @@ Foam::chemPointISAT<ThermoType>::chemPointISAT
     const label completeSpaceSize,
     const label nActive,
     const dictionary& coeffsDict,
-    binaryNode<ThermoType>* node
+    binaryNode* node
 )
 :
     table_(table),
@@ -299,10 +296,9 @@ Foam::chemPointISAT<ThermoType>::chemPointISAT
 }
 
 
-template<class ThermoType>
+Foam::chemPointISAT::chemPointISAT
-Foam::chemPointISAT<ThermoType>::chemPointISAT
 (
-    Foam::chemPointISAT<ThermoType>& p
+    Foam::chemPointISAT& p
 )
 :
     table_(p.table_),
@@ -334,8 +330,7 @@ Foam::chemPointISAT<ThermoType>::chemPointISAT
 
 // * * * * * * * * * * * * * * * Member Functions  * * * * * * * * * * * * * //
 
-template<class ThermoType>
+bool Foam::chemPointISAT::inEOA(const scalarField& phiq)
-bool Foam::chemPointISAT<ThermoType>::inEOA(const scalarField& phiq)
 {
     const scalarField dphi(phiq - phi());
 
@@ -474,8 +469,7 @@ bool Foam::chemPointISAT<ThermoType>::inEOA(const scalarField& phiq)
 }
 
 
-template<class ThermoType>
+bool Foam::chemPointISAT::checkSolution
-bool Foam::chemPointISAT<ThermoType>::checkSolution
 (
     const scalarField& phiq,
     const scalarField& Rphiq
@@ -540,8 +534,7 @@ bool Foam::chemPointISAT<ThermoType>::checkSolution
 }
 
 
-template<class ThermoType>
+bool Foam::chemPointISAT::grow(const scalarField& phiq)
-bool Foam::chemPointISAT<ThermoType>::grow(const scalarField& phiq)
 {
     const scalarField dphi(phiq - phi());
     const label initNActiveSpecies(nActive_);
@@ -717,29 +710,25 @@ bool Foam::chemPointISAT<ThermoType>::grow(const scalarField& phiq)
 }
 
 
-template<class ThermoType>
+void Foam::chemPointISAT::increaseNumRetrieve()
-void Foam::chemPointISAT<ThermoType>::increaseNumRetrieve()
 {
     this->numRetrieve_++;
 }
 
 
-template<class ThermoType>
+void Foam::chemPointISAT::resetNumRetrieve()
-void Foam::chemPointISAT<ThermoType>::resetNumRetrieve()
 {
     this->numRetrieve_ = 0;
 }
 
 
-template<class ThermoType>
+void Foam::chemPointISAT::increaseNLifeTime()
-void Foam::chemPointISAT<ThermoType>::increaseNLifeTime()
 {
     this->nLifeTime_++;
 }
 
 
-template<class ThermoType>
+Foam::label Foam::chemPointISAT::simplifiedToCompleteIndex
-Foam::label Foam::chemPointISAT<ThermoType>::simplifiedToCompleteIndex
 (
     const label i
 )

src/thermophysicalModels/chemistryModel/chemistryModel/tabulation/ISAT/chemPointISAT/chemPointISAT.H

@@ -122,6 +122,10 @@ Description
 #ifndef chemPointISAT_H
 #define chemPointISAT_H
 
+#include "scalarField.H"
+#include "LUscalarMatrix.H"
+#include "Switch.H"
+
 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
 namespace Foam
@@ -129,15 +133,10 @@ namespace Foam
 
 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
-template<class ThermoType>
 class binaryNode;
 
-template<class ThermoType>
-class chemistryModel;
-
 namespace chemistryTabulationMethods
 {
-    template<class ThermoType>
     class ISAT;
 }
 
@@ -146,13 +145,12 @@ namespace chemistryTabulationMethods
                         Class chemPointISAT Declaration
 \*---------------------------------------------------------------------------*/
 
-template<class ThermoType>
 class chemPointISAT
 {
     // Private Data
 
         //- Reference to the ISAT table
-        chemistryTabulationMethods::ISAT<ThermoType>& table_;
+        chemistryTabulationMethods::ISAT& table_;
 
         //- Vector storing the composition, temperature and pressure
         //  and deltaT if a variable time step is set on
@@ -172,7 +170,7 @@ class chemPointISAT
         scalarField scaleFactor_;
 
         //- Reference to the node in the binary tree holding this chemPoint
-        binaryNode<ThermoType>* node_;
+        binaryNode* node_;
 
         //- The size of the composition space (size of the vector phi)
         label completeSpaceSize_;
@@ -251,7 +249,7 @@ public:
         //- Construct from components
         chemPointISAT
         (
-            chemistryTabulationMethods::ISAT<ThermoType>& table,
+            chemistryTabulationMethods::ISAT& table,
             const scalarField& phi,
             const scalarField& Rphi,
             const scalarSquareMatrix& A,
@@ -260,24 +258,24 @@ public:
             const label completeSpaceSize,
             const label nActive,
             const dictionary& coeffsDict,
-            binaryNode<ThermoType>* node = nullptr
+            binaryNode* node = nullptr
         );
 
         //- Construct from another chemPoint and reference to a binary node
         chemPointISAT
         (
-            const chemPointISAT<ThermoType>& p,
+            const chemPointISAT& p,
-            binaryNode<ThermoType>* node
+            binaryNode* node
         );
 
         //- Construct from another chemPoint
-        chemPointISAT(chemPointISAT<ThermoType>& p);
+        chemPointISAT(chemPointISAT& p);
 
 
     // Member Functions
 
         //- Access to the ISAT table
-        inline const chemistryTabulationMethods::ISAT<ThermoType>& table() const
+        inline const chemistryTabulationMethods::ISAT& table() const
         {
             return table_;
         }
@@ -317,7 +315,7 @@ public:
             tolerance_ = newTol;
         }
 
-        inline binaryNode<ThermoType>*& node()
+        inline binaryNode*& node()
         {
             return node_;
         }
@@ -448,12 +446,6 @@ public:
 
 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
-#ifdef NoRepository
-    #include "chemPointISAT.C"
-#endif
-
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-
 #endif
 
 // ************************************************************************* //

src/thermophysicalModels/chemistryModel/chemistryModel/tabulation/chemistryTabulationMethod/chemistryTabulationMethod.C

@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     | Website:  https://openfoam.org
-    \\  /    A nd           | Copyright (C) 2016-2021 OpenFOAM Foundation
+    \\  /    A nd           | Copyright (C) 2016-2022 OpenFOAM Foundation
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
@@ -24,23 +24,30 @@ License
 \*---------------------------------------------------------------------------*/
 
 #include "chemistryTabulationMethod.H"
-#include "chemistryModel.H"
+#include "odeChemistryModel.H"
+
+// * * * * * * * * * * * * * * Static Data Members * * * * * * * * * * * * * //
+
+namespace Foam
+{
+    defineTypeNameAndDebug(chemistryTabulationMethod, 0);
+    defineRunTimeSelectionTable(chemistryTabulationMethod, dictionary);
+}
+
 
 // * * * * * * * * * * * * * * * * Constructors  * * * * * * * * * * * * * * //
 
-template<class ThermoType>
+Foam::chemistryTabulationMethod::chemistryTabulationMethod
-Foam::chemistryTabulationMethod<ThermoType>::chemistryTabulationMethod
 (
     const dictionary& dict,
-    const chemistryModel<ThermoType>& chemistry
+    const odeChemistryModel& chemistry
 )
 {}
 
 
 // * * * * * * * * * * * * * * * * Destructor  * * * * * * * * * * * * * * * //
 
-template<class ThermoType>
+Foam::chemistryTabulationMethod::~chemistryTabulationMethod()
-Foam::chemistryTabulationMethod<ThermoType>::~chemistryTabulationMethod()
 {}
 
 

src/thermophysicalModels/chemistryModel/chemistryModel/tabulation/chemistryTabulationMethod/chemistryTabulationMethod.H

@@ -46,14 +46,12 @@ namespace Foam
 
 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
-template<class ThermoType>
+class odeChemistryModel;
-class chemistryModel;
 
 /*---------------------------------------------------------------------------*\
                   Class chemistryTabulationMethod Declaration
 \*---------------------------------------------------------------------------*/
 
-template<class ThermoType>
 class chemistryTabulationMethod
 {
 public:
@@ -70,7 +68,7 @@ public:
         dictionary,
         (
             const dictionary& dict,
-            const chemistryModel<ThermoType>& chemistry
+            const odeChemistryModel& chemistry
         ),
         (dict, chemistry)
     );
@@ -82,7 +80,7 @@ public:
         chemistryTabulationMethod
         (
             const dictionary& dict,
-            const chemistryModel<ThermoType>& chemistry
+            const odeChemistryModel& chemistry
         );
 
 
@@ -91,7 +89,7 @@ public:
         static autoPtr<chemistryTabulationMethod> New
         (
             const IOdictionary& dict,
-            const chemistryModel<ThermoType>& chemistry
+            const odeChemistryModel& chemistry
         );
 
 
@@ -142,13 +140,6 @@ public:
 
 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
-#ifdef NoRepository
-    #include "chemistryTabulationMethod.C"
-    #include "chemistryTabulationMethodNew.C"
-#endif
-
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-
 #endif
 
 // ************************************************************************* //

src/thermophysicalModels/chemistryModel/chemistryModel/tabulation/chemistryTabulationMethod/chemistryTabulationMethodNew.C

@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     | Website:  https://openfoam.org
-    \\  /    A nd           | Copyright (C) 2016-2021 OpenFOAM Foundation
+    \\  /    A nd           | Copyright (C) 2016-2022 OpenFOAM Foundation
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
@@ -29,12 +29,11 @@ License
 
 // * * * * * * * * * * * * * * * * Selectors * * * * * * * * * * * * * * * * //
 
-template<class ThermoType>
+Foam::autoPtr<Foam::chemistryTabulationMethod>
-Foam::autoPtr<Foam::chemistryTabulationMethod<ThermoType>>
+Foam::chemistryTabulationMethod::New
-Foam::chemistryTabulationMethod<ThermoType>::New
 (
     const IOdictionary& dict,
-    const chemistryModel<ThermoType>& chemistry
+    const odeChemistryModel& chemistry
 )
 {
     if (dict.found("tabulation"))
@@ -45,57 +44,28 @@ Foam::chemistryTabulationMethod<ThermoType>::New
 
         Info<< "Selecting chemistry tabulation method " << methodName << endl;
 
-        const word methodTypeName =
-            methodName + '<' + ThermoType::typeName() + '>';
-
         typename dictionaryConstructorTable::iterator cstrIter =
-            dictionaryConstructorTablePtr_->find(methodTypeName);
+            dictionaryConstructorTablePtr_->find(methodName);
 
         if (cstrIter == dictionaryConstructorTablePtr_->end())
         {
             FatalErrorInFunction
                 << "Unknown " << typeName_() << " type " << methodName << endl
-                << endl;
+                << "Valid " << typeName_() << " types are:"
-
+                << dictionaryConstructorTablePtr_->sortedToc() << endl
-            const wordList names(dictionaryConstructorTablePtr_->sortedToc());
-
-            wordList thisCmpts;
-            thisCmpts.append(word::null);
-            thisCmpts.append
-            (
-                basicThermo::splitThermoName(ThermoType::typeName(), 5)
-            );
-
-            wordList validNames;
-            forAll(names, i)
-            {
-                const wordList cmpts(basicThermo::splitThermoName(names[i], 6));
-
-                if
-                (
-                    SubList<word>(cmpts, 5, 1) == SubList<word>(thisCmpts, 5, 1)
-                )
-                {
-                    validNames.append(cmpts[0]);
-                }
-            }
-
-            FatalErrorInFunction
-                << "Valid " << typeName_()
-                << " types are:" << validNames << endl
                 << exit(FatalError);
         }
 
-        return autoPtr<chemistryTabulationMethod<ThermoType>>
+        return autoPtr<chemistryTabulationMethod>
         (
             cstrIter()(dict, chemistry)
         );
     }
     else
     {
-        return autoPtr<chemistryTabulationMethod<ThermoType>>
+        return autoPtr<chemistryTabulationMethod>
         (
-            new chemistryTabulationMethods::none<ThermoType>(dict, chemistry)
+            new chemistryTabulationMethods::none(dict, chemistry)
         );
     }
 }

src/thermophysicalModels/chemistryModel/chemistryModel/tabulation/chemistryTabulationMethod/chemistryTabulationMethods.C

@@ -1,41 +0,0 @@
-/*---------------------------------------------------------------------------*\
-  =========                 |
-  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
-   \\    /   O peration     | Website:  https://openfoam.org
-    \\  /    A nd           | Copyright (C) 2020-2021 OpenFOAM Foundation
-     \\/     M anipulation  |
--------------------------------------------------------------------------------
-License
-    This file is part of OpenFOAM.
-
-    OpenFOAM is free software: you can redistribute it and/or modify it
-    under the terms of the GNU General Public License as published by
-    the Free Software Foundation, either version 3 of the License, or
-    (at your option) any later version.
-
-    OpenFOAM is distributed in the hope that it will be useful, but WITHOUT
-    ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
-    FITNESS FOR A PARTICULAR PURPOSE.  See the GNU General Public License
-    for more details.
-
-    You should have received a copy of the GNU General Public License
-    along with OpenFOAM.  If not, see <http://www.gnu.org/licenses/>.
-
-\*---------------------------------------------------------------------------*/
-
-#include "chemistryTabulationMethod.H"
-
-#include "forGases.H"
-#include "forLiquids.H"
-#include "makeChemistryTabulationMethod.H"
-
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-
-namespace Foam
-{
-    forCoeffGases(defineChemistryTabulationMethod, nullArg);
-    forCoeffLiquids(defineChemistryTabulationMethod, nullArg);
-}
-
-
-// ************************************************************************* //

src/thermophysicalModels/chemistryModel/chemistryModel/tabulation/makeChemistryTabulationMethod.H

@@ -1,84 +0,0 @@
-/*---------------------------------------------------------------------------*\
-  =========                 |
-  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
-   \\    /   O peration     | Website:  https://openfoam.org
-    \\  /    A nd           | Copyright (C) 2011-2021 OpenFOAM Foundation
-     \\/     M anipulation  |
--------------------------------------------------------------------------------
-License
-    This file is part of OpenFOAM.
-
-    OpenFOAM is free software: you can redistribute it and/or modify it
-    under the terms of the GNU General Public License as published by
-    the Free Software Foundation, either version 3 of the License, or
-    (at your option) any later version.
-
-    OpenFOAM is distributed in the hope that it will be useful, but WITHOUT
-    ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
-    FITNESS FOR A PARTICULAR PURPOSE.  See the GNU General Public License
-    for more details.
-
-    You should have received a copy of the GNU General Public License
-    along with OpenFOAM.  If not, see <http://www.gnu.org/licenses/>.
-
-\*---------------------------------------------------------------------------*/
-
-#ifndef makeChemistryTabulationMethod_H
-#define makeChemistryTabulationMethod_H
-
-#include "addToRunTimeSelectionTable.H"
-
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-
-#define defineChemistryTabulationMethod(nullArg, ThermoPhysics)                \
-                                                                               \
-    typedef chemistryTabulationMethod<ThermoPhysics>                           \
-        chemistryTabulationMethod##ThermoPhysics;                              \
-                                                                               \
-    defineTemplateTypeNameAndDebugWithName                                     \
-    (                                                                          \
-        chemistryTabulationMethod##ThermoPhysics,                              \
-        (                                                                      \
-            word(chemistryTabulationMethod##ThermoPhysics::typeName_())        \
-          + "<" + ThermoPhysics::typeName() + ">"                              \
-        ).c_str(),                                                             \
-        0                                                                      \
-    );                                                                         \
-                                                                               \
-    defineTemplateRunTimeSelectionTable                                        \
-    (                                                                          \
-        chemistryTabulationMethod##ThermoPhysics,                              \
-        dictionary                                                             \
-    )
-
-#define makeChemistryTabulationMethod(Method, ThermoPhysics)                   \
-                                                                               \
-    typedef chemistryTabulationMethod<ThermoPhysics>                           \
-        chemistryTabulationMethod##ThermoPhysics;                              \
-                                                                               \
-    typedef chemistryTabulationMethods::Method<ThermoPhysics>                  \
-        chemistryTabulationMethod##Method##ThermoPhysics;                      \
-                                                                               \
-    defineTemplateTypeNameAndDebugWithName                                     \
-    (                                                                          \
-        chemistryTabulationMethod##Method##ThermoPhysics,                      \
-        (                                                                      \
-            word(chemistryTabulationMethod##Method##ThermoPhysics::typeName_())\
-         + "<" + ThermoPhysics::typeName() + ">"                               \
-        ).c_str(),                                                             \
-        0                                                                      \
-    );                                                                         \
-                                                                               \
-    addToRunTimeSelectionTable                                                 \
-    (                                                                          \
-        chemistryTabulationMethod##ThermoPhysics,                              \
-        chemistryTabulationMethod##Method##ThermoPhysics,                      \
-        dictionary                                                             \
-    )
-
-
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-
-#endif
-
-// ************************************************************************* //

src/thermophysicalModels/chemistryModel/chemistryModel/tabulation/noChemistryTabulation/noChemistryTabulation.C

@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     | Website:  https://openfoam.org
-    \\  /    A nd           | Copyright (C) 2016-2021 OpenFOAM Foundation
+    \\  /    A nd           | Copyright (C) 2016-2022 OpenFOAM Foundation
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
@@ -24,17 +24,30 @@ License
 \*---------------------------------------------------------------------------*/
 
 #include "noChemistryTabulation.H"
+#include "addToRunTimeSelectionTable.H"
+
+
+/* * * * * * * * * * * * * * * Static Member Data  * * * * * * * * * * * * * */
+
+namespace Foam
+{
+namespace chemistryTabulationMethods
+{
+    defineTypeNameAndDebug(none, 0);
+    addToRunTimeSelectionTable(chemistryTabulationMethod, none, dictionary);
+}
+}
+
 
 // * * * * * * * * * * * * * * * * Constructors  * * * * * * * * * * * * * * //
 
-template<class ThermoType>
+Foam::chemistryTabulationMethods::none::none
-Foam::chemistryTabulationMethods::none<ThermoType>::none
 (
     const dictionary& chemistryProperties,
-    const chemistryModel<ThermoType>& chemistry
+    const odeChemistryModel& chemistry
 )
 :
-    chemistryTabulationMethod<ThermoType>
+    chemistryTabulationMethod
     (
         chemistryProperties,
         chemistry
@@ -44,8 +57,7 @@ Foam::chemistryTabulationMethods::none<ThermoType>::none
 
 // * * * * * * * * * * * * * * * * Destructor  * * * * * * * * * * * * * * * //
 
-template<class ThermoType>
+Foam::chemistryTabulationMethods::none::~none()
-Foam::chemistryTabulationMethods::none<ThermoType>::~none()
 {}
 
 

src/thermophysicalModels/chemistryModel/chemistryModel/tabulation/noChemistryTabulation/noChemistryTabulation.H

@@ -49,10 +49,9 @@ namespace chemistryTabulationMethods
                             Class none Declaration
 \*---------------------------------------------------------------------------*/
 
-template<class ThermoType>
 class none
 :
-    public chemistryTabulationMethod<ThermoType>
+    public chemistryTabulationMethod
 {
 public:
 
@@ -65,7 +64,7 @@ public:
         none
         (
             const dictionary& chemistryProperties,
-            const chemistryModel<ThermoType>& chemistry
+            const odeChemistryModel& chemistry
         );
 
         //- Disallow default bitwise copy construction
@@ -128,12 +127,6 @@ public:
 
 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
-#ifdef NoRepository
-    #include "noChemistryTabulation.C"
-#endif
-
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-
 #endif
 
 // ************************************************************************* //

src/thermophysicalModels/chemistryModel/chemistryModel/tabulation/noChemistryTabulation/noChemistryTabulationMethods.C

@@ -1,43 +0,0 @@
-/*---------------------------------------------------------------------------*\
-  =========                 |
-  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
-   \\    /   O peration     | Website:  https://openfoam.org
-    \\  /    A nd           | Copyright (C) 2020-2021 OpenFOAM Foundation
-     \\/     M anipulation  |
--------------------------------------------------------------------------------
-License
-    This file is part of OpenFOAM.
-
-    OpenFOAM is free software: you can redistribute it and/or modify it
-    under the terms of the GNU General Public License as published by
-    the Free Software Foundation, either version 3 of the License, or
-    (at your option) any later version.
-
-    OpenFOAM is distributed in the hope that it will be useful, but WITHOUT
-    ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
-    FITNESS FOR A PARTICULAR PURPOSE.  See the GNU General Public License
-    for more details.
-
-    You should have received a copy of the GNU General Public License
-    along with OpenFOAM.  If not, see <http://www.gnu.org/licenses/>.
-
-\*---------------------------------------------------------------------------*/
-
-#include "chemistryTabulationMethod.H"
-
-#include "noChemistryTabulation.H"
-
-#include "forGases.H"
-#include "forLiquids.H"
-#include "makeChemistryTabulationMethod.H"
-
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-
-namespace Foam
-{
-    forCoeffGases(makeChemistryTabulationMethod, none);
-    forCoeffLiquids(makeChemistryTabulationMethod, none);
-}
-
-
-// ************************************************************************* //

src/thermophysicalModels/chemistryModel/odeChemistryModel/odeChemistryModel.C

@@ -2,7 +2,7 @@
   =========                 |
   \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
    \\    /   O peration     | Website:  https://openfoam.org
-    \\  /    A nd           | Copyright (C) 2020-2021 OpenFOAM Foundation
+    \\  /    A nd           | Copyright (C) 2022 OpenFOAM Foundation
      \\/     M anipulation  |
 -------------------------------------------------------------------------------
 License
@@ -23,21 +23,43 @@ License
 
 \*---------------------------------------------------------------------------*/
 
-#include "chemistryTabulationMethod.H"
+#include "odeChemistryModel.H"
 
-#include "ISAT.H"
 
-#include "forGases.H"
+// * * * * * * * * * * * * * * Static Data Members * * * * * * * * * * * * * //
-#include "forLiquids.H"
-#include "makeChemistryTabulationMethod.H"
-
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
 namespace Foam
 {
-    forCoeffGases(makeChemistryTabulationMethod, ISAT);
+    defineTypeNameAndDebug(odeChemistryModel, 0);
-    forCoeffLiquids(makeChemistryTabulationMethod, ISAT);
 }
 
 
+// * * * * * * * * * * * * * * * * Constructors  * * * * * * * * * * * * * * //
+
+Foam::odeChemistryModel::odeChemistryModel
+(
+    const fluidReactionThermo& thermo
+)
+:
+    basicChemistryModel(thermo),
+    ODESystem(),
+    Yvf_(this->thermo().composition().Y()),
+    nSpecie_(Yvf_.size()),
+    reduction_(false),
+    cTos_(nSpecie_, -1),
+    sToc_(nSpecie_)
+{
+    Info<< "odeChemistryModel: Number of species = " << nSpecie_ << endl;
+}
+
+
+// * * * * * * * * * * * * * * * * Destructor  * * * * * * * * * * * * * * * //
+
+Foam::odeChemistryModel::~odeChemistryModel()
+{}
+
+
+// * * * * * * * * * * * * * * * Member Functions  * * * * * * * * * * * * * //
+
+
 // ************************************************************************* //

src/thermophysicalModels/chemistryModel/odeChemistryModel/odeChemistryModel.H

@@ -0,0 +1,158 @@
+/*---------------------------------------------------------------------------*\
+  =========                 |
+  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
+   \\    /   O peration     | Website:  https://openfoam.org
+    \\  /    A nd           | Copyright (C) 2022 OpenFOAM Foundation
+     \\/     M anipulation  |
+-------------------------------------------------------------------------------
+License
+    This file is part of OpenFOAM.
+
+    OpenFOAM is free software: you can redistribute it and/or modify it
+    under the terms of the GNU General Public License as published by
+    the Free Software Foundation, either version 3 of the License, or
+    (at your option) any later version.
+
+    OpenFOAM is distributed in the hope that it will be useful, but WITHOUT
+    ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+    FITNESS FOR A PARTICULAR PURPOSE.  See the GNU General Public License
+    for more details.
+
+    You should have received a copy of the GNU General Public License
+    along with OpenFOAM.  If not, see <http://www.gnu.org/licenses/>.
+
+Class
+    Foam::odeChemistryModel
+
+Description
+    Extends base chemistry model adding an ODESystem and the reduction maps
+    needed for tabulation.
+
+SourceFiles
+    odeChemistryModelI.H
+    odeChemistryModel.C
+
+\*---------------------------------------------------------------------------*/
+
+#ifndef odeChemistryModel_H
+#define odeChemistryModel_H
+
+#include "basicChemistryModel.H"
+#include "ODESystem.H"
+#include "OFstream.H"
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+namespace Foam
+{
+
+template<class ThermoType>
+class chemistryModel;
+
+template<class ThermoType>
+class chemistryReductionMethod;
+
+
+/*---------------------------------------------------------------------------*\
+                     Class odeChemistryModel Declaration
+\*---------------------------------------------------------------------------*/
+
+class odeChemistryModel
+:
+    public basicChemistryModel,
+    public ODESystem
+{
+    // Private data
+
+        //- Reference to the field of specie mass fractions
+        const PtrList<volScalarField>& Yvf_;
+
+        //- Number of species
+        label nSpecie_;
+
+        //- Is chemistry reduction active
+        bool reduction_;
+
+        //- Temporary map from complete to simplified concentration fields
+        //  c -> sc
+        List<label> cTos_;
+
+        //- Temporary map from simplified to complete concentration fields
+        //  sc -> c
+        DynamicList<label> sToc_;
+
+
+public:
+
+    template<class ThermoType>
+    friend class chemistryModel;
+
+    template<class ThermoType>
+    friend class chemistryReductionMethod;
+
+    //- Runtime type information
+    TypeName("odeChemistryModel");
+
+
+    // Constructors
+
+        //- Construct from thermo
+        odeChemistryModel(const fluidReactionThermo& thermo);
+
+        //- Disallow default bitwise copy construction
+        odeChemistryModel(const odeChemistryModel&) = delete;
+
+
+    //- Destructor
+    virtual ~odeChemistryModel();
+
+
+    // Member Functions
+
+        //- Create and return a TDAC log file of the given name
+        inline autoPtr<OFstream> logFile(const word& name) const;
+
+        //- The number of species
+        inline virtual label nSpecie() const;
+
+        //- Allow the reduction method to reset the number of species
+        inline void setNSpecie(const label newNs);
+
+        //- Number of ODE's to solve
+        inline virtual label nEqns() const;
+
+        //- Return a reference to the list of mass fraction fields
+        inline const PtrList<volScalarField>& Y() const;
+
+        //- Return true if mechanism reduction is active
+        inline bool reduction() const;
+
+        //- Return the index in the complete set of species
+        //  corresponding to the index si in the simplified set of species
+        inline label sToc(const label si) const;
+
+        //- Return the index in the simplified set of species
+        //  corresponding to the index si in the complete set of species
+        inline label cTos(const label ci) const;
+
+
+    // Member Operators
+
+        //- Disallow default bitwise assignment
+        void operator=(const odeChemistryModel&) = delete;
+};
+
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+} // End namespace Foam
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+#include "odeChemistryModelI.H"
+
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+#endif
+
+// ************************************************************************* //

src/thermophysicalModels/chemistryModel/odeChemistryModel/odeChemistryModelI.H

@@ -0,0 +1,108 @@
+/*---------------------------------------------------------------------------*\
+  =========                 |
+  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
+   \\    /   O peration     | Website:  https://openfoam.org
+    \\  /    A nd           | Copyright (C) 2022 OpenFOAM Foundation
+     \\/     M anipulation  |
+-------------------------------------------------------------------------------
+License
+    This file is part of OpenFOAM.
+
+    OpenFOAM is free software: you can redistribute it and/or modify it
+    under the terms of the GNU General Public License as published by
+    the Free Software Foundation, either version 3 of the License, or
+    (at your option) any later version.
+
+    OpenFOAM is distributed in the hope that it will be useful, but WITHOUT
+    ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
+    FITNESS FOR A PARTICULAR PURPOSE.  See the GNU General Public License
+    for more details.
+
+    You should have received a copy of the GNU General Public License
+    along with OpenFOAM.  If not, see <http://www.gnu.org/licenses/>.
+
+\*---------------------------------------------------------------------------*/
+
+#include "OSspecific.H"
+
+// * * * * * * * * * * * * * * * Member Functions  * * * * * * * * * * * * * //
+
+inline Foam::autoPtr<Foam::OFstream>
+Foam::odeChemistryModel::logFile(const word& name) const
+{
+    mkDir(this->mesh().time().path()/"TDAC"/this->group());
+    return autoPtr<OFstream>
+    (
+        new OFstream
+        (
+            this->mesh().time().path()/"TDAC"/this->group()/name
+        )
+    );
+}
+
+
+inline Foam::label Foam::odeChemistryModel::nSpecie() const
+{
+    return nSpecie_;
+}
+
+
+inline void Foam::odeChemistryModel::setNSpecie(const label newNs)
+{
+    nSpecie_ = newNs;
+}
+
+
+inline Foam::label Foam::odeChemistryModel::nEqns() const
+{
+    // nEqns = number of species + temperature + pressure
+    return nSpecie_ + 2;
+}
+
+
+inline const Foam::PtrList<Foam::volScalarField>&
+Foam::odeChemistryModel::Y() const
+{
+    return Yvf_;
+}
+
+
+inline bool Foam::odeChemistryModel::reduction() const
+{
+    return reduction_;
+}
+
+
+inline Foam::label Foam::odeChemistryModel::sToc
+(
+    const label si
+) const
+{
+    if (reduction_)
+    {
+        return sToc_[si];
+    }
+    else
+    {
+        return si;
+    }
+}
+
+
+inline Foam::label Foam::odeChemistryModel::cTos
+(
+    const label ci
+) const
+{
+    if (reduction_)
+    {
+        return cTos_[ci];
+    }
+    else
+    {
+        return ci;
+    }
+}
+
+
+// ************************************************************************* //