diff --git a/src/thermophysicalModels/chemistryModel/chemistryModel/TDACChemistryModel/TDACChemistryModel.C b/src/thermophysicalModels/chemistryModel/chemistryModel/TDACChemistryModel/TDACChemistryModel.C index b7dd06710e..9ce777ae0c 100644 --- a/src/thermophysicalModels/chemistryModel/chemistryModel/TDACChemistryModel/TDACChemistryModel.C +++ b/src/thermophysicalModels/chemistryModel/chemistryModel/TDACChemistryModel/TDACChemistryModel.C @@ -54,7 +54,7 @@ Foam::TDACChemistryModel::TDACChemistryModel ( IOobject ( - "TabulationResults", + IOobject::groupName("TabulationResults", phaseName), this->time().timeName(), this->mesh(), IOobject::NO_READ, @@ -75,7 +75,7 @@ Foam::TDACChemistryModel::TDACChemistryModel forAll(specieComp_, i) { - specieComp_[i] = specComp[this->Y()[i].name()]; + specieComp_[i] = specComp[this->Y()[i].member()]; } mechRed_ = chemistryReductionMethod::New diff --git a/src/thermophysicalModels/chemistryModel/chemistryModel/TDACChemistryModel/TDACChemistryModelI.H b/src/thermophysicalModels/chemistryModel/chemistryModel/TDACChemistryModel/TDACChemistryModelI.H index 9d41ffee12..e37875200e 100644 --- a/src/thermophysicalModels/chemistryModel/chemistryModel/TDACChemistryModel/TDACChemistryModelI.H +++ b/src/thermophysicalModels/chemistryModel/chemistryModel/TDACChemistryModel/TDACChemistryModelI.H @@ -45,8 +45,14 @@ template inline Foam::autoPtr Foam::TDACChemistryModel::logFile(const word& name) const { - mkDir(this->mesh().time().path()/"TDAC"); - return autoPtr::New(this->mesh().time().path()/"TDAC"/name); + mkDir(this->mesh().time().path()/"TDAC"/this->group()); + return autoPtr + ( + new OFstream + ( + this->mesh().time().path()/"TDAC"/this->group()/name + ) + ); } diff --git a/src/thermophysicalModels/chemistryModel/chemistryModel/TDACChemistryModel/reduction/DAC/DAC.C b/src/thermophysicalModels/chemistryModel/chemistryModel/TDACChemistryModel/reduction/DAC/DAC.C index 515ff54493..fd5cec5245 100644 --- a/src/thermophysicalModels/chemistryModel/chemistryModel/TDACChemistryModel/reduction/DAC/DAC.C +++ b/src/thermophysicalModels/chemistryModel/chemistryModel/TDACChemistryModel/reduction/DAC/DAC.C @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2016 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2016-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -89,7 +89,7 @@ Foam::chemistryReductionMethods::DAC::DAC for (label i = 0; i < chemistry.nSpecie(); i++) { - if (initSet.found(chemistry.Y()[i].name())) + if (initSet.found(chemistry.Y()[i].member())) { searchInitSet_[j++] = i; } @@ -140,23 +140,23 @@ Foam::chemistryReductionMethods::DAC::DAC << endl; } } - if (this->chemistry_.Y()[i].name() == CO2Name_) + if (this->chemistry_.Y()[i].member() == CO2Name_) { CO2Id_ = i; } - else if (this->chemistry_.Y()[i].name() == COName_) + else if (this->chemistry_.Y()[i].member() == COName_) { COId_ = i; } - else if (this->chemistry_.Y()[i].name() == HO2Name_) + else if (this->chemistry_.Y()[i].member() == HO2Name_) { HO2Id_ = i; } - else if (this->chemistry_.Y()[i].name() == H2OName_) + else if (this->chemistry_.Y()[i].member() == H2OName_) { H2OId_ = i; } - else if (this->chemistry_.Y()[i].name() == NOName_) + else if (this->chemistry_.Y()[i].member() == NOName_) { NOId_ = i; } @@ -206,7 +206,7 @@ Foam::chemistryReductionMethods::DAC::DAC fuelSpeciesProp_[i] = readScalar(fuelDict.lookup(fuelSpecies_[i])); for (label j=0; jnSpecie_; j++) { - if (this->chemistry_.Y()[j].name() == fuelSpecies_[i]) + if (this->chemistry_.Y()[j].member() == fuelSpecies_[i]) { fuelSpeciesID_[i] = j; break; @@ -472,8 +472,8 @@ void Foam::chemistryReductionMethods::DAC::reduceMechanism // Complete combustion products are not considered if ( - this->chemistry_.Y()[i].name() == "CO2" - || this->chemistry_.Y()[i].name() == "H2O" + this->chemistry_.Y()[i].member() == "CO2" + || this->chemistry_.Y()[i].member() == "H2O" ) { continue; @@ -482,7 +482,7 @@ void Foam::chemistryReductionMethods::DAC::reduceMechanism Na[0] += sC_[i]*c[i]; Na[1] += sH_[i]*c[i]; Na[2] += sO_[i]*c[i]; - if (sC_[i]>nbCLarge_ || this->chemistry_.Y()[i].name() == "O2") + if (sC_[i]>nbCLarge_ || this->chemistry_.Y()[i].member() == "O2") { Nal[0] += sC_[i]*c[i]; Nal[1] += sH_[i]*c[i]; @@ -619,21 +619,15 @@ void Foam::chemistryReductionMethods::DAC::reduceMechanism { label u = Q.pop(); scalar Den = max(PA[u], CA[u]); - if (Den != 0.0) + if (Den != 0) { for (label v=0; v 1) { - Info<< "Badly Conditioned rAB : " << rAB - << " for species : " - << this->chemistry_.Y()[u].name() << "," - << this->chemistry_.Y()[otherSpec].name() - << endl; - rAB = 1.0; + rAB = 1; } // The direct link is weaker than the user-defined tolerance diff --git a/src/thermophysicalModels/chemistryModel/chemistryModel/TDACChemistryModel/reduction/DRG/DRG.C b/src/thermophysicalModels/chemistryModel/chemistryModel/TDACChemistryModel/reduction/DRG/DRG.C index 5f9078cdbc..bb83e06d5a 100644 --- a/src/thermophysicalModels/chemistryModel/chemistryModel/TDACChemistryModel/reduction/DRG/DRG.C +++ b/src/thermophysicalModels/chemistryModel/chemistryModel/TDACChemistryModel/reduction/DRG/DRG.C @@ -41,7 +41,7 @@ Foam::chemistryReductionMethods::DRG::DRG dictionary initSet = this->coeffsDict_.subDict("initialSet"); for (label i=0; i::reduceMechanism if (rAB > 1) { - Info<< "Badly Conditioned rAB : " << rAB - << " for species : " - << this->chemistry_.Y()[u].name() << "," - << this->chemistry_.Y()[otherSpec].name() - << endl; - rAB = 1.0; + rAB = 1; } // Include B only if rAB is above the tolerance and if the diff --git a/src/thermophysicalModels/chemistryModel/chemistryModel/TDACChemistryModel/reduction/DRGEP/DRGEP.C b/src/thermophysicalModels/chemistryModel/chemistryModel/TDACChemistryModel/reduction/DRGEP/DRGEP.C index 69a434853b..202cead82f 100644 --- a/src/thermophysicalModels/chemistryModel/chemistryModel/TDACChemistryModel/reduction/DRGEP/DRGEP.C +++ b/src/thermophysicalModels/chemistryModel/chemistryModel/TDACChemistryModel/reduction/DRGEP/DRGEP.C @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2016 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2016-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -47,7 +47,7 @@ Foam::chemistryReductionMethods::DRGEP::DRGEP dictionary initSet = this->coeffsDict_.subDict("initialSet"); for (label i=0; i 1) { - Info<< "Badly Conditioned rAB : " << rAB - << " for species : " - << this->chemistry_.Y()[u].name() << "," - << this->chemistry_.Y()[otherSpec].name() - << endl; - rAB = 1.0; + rAB = 1; } scalar Rtemp = Rvalue[u]*rAB; @@ -653,12 +647,7 @@ reduceMechanism scalar rAB = mag(rABNum(u, v))/Den; if (rAB > 1) { - Info<< "Badly Conditioned rAB : " << rAB - << " for species : " - << this->chemistry_.Y()[u].name() << "," - << this->chemistry_.Y()[otherSpec].name() - << endl; - rAB = 1.0; + rAB = 1; } scalar Rtemp = Rvalue[u]*rAB; diff --git a/src/thermophysicalModels/chemistryModel/chemistryModel/TDACChemistryModel/reduction/PFA/PFA.C b/src/thermophysicalModels/chemistryModel/chemistryModel/TDACChemistryModel/reduction/PFA/PFA.C index 1bd9dd6c29..58c8e43403 100644 --- a/src/thermophysicalModels/chemistryModel/chemistryModel/TDACChemistryModel/reduction/PFA/PFA.C +++ b/src/thermophysicalModels/chemistryModel/chemistryModel/TDACChemistryModel/reduction/PFA/PFA.C @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2016 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2016-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -43,7 +43,7 @@ Foam::chemistryReductionMethods::PFA::PFA for (label i=0; i::New ( IOobject ( - "thermophysicalProperties", + IOobject::groupName("thermophysicalProperties",dict.group()), dict.db().time().constant(), dict.db(), IOobject::MUST_READ_IF_MODIFIED, diff --git a/src/thermophysicalModels/chemistryModel/chemistryModel/TDACChemistryModel/tabulation/ISAT/ISAT.C b/src/thermophysicalModels/chemistryModel/chemistryModel/TDACChemistryModel/tabulation/ISAT/ISAT.C index 3ad647f830..f6c590b8d7 100644 --- a/src/thermophysicalModels/chemistryModel/chemistryModel/TDACChemistryModel/tabulation/ISAT/ISAT.C +++ b/src/thermophysicalModels/chemistryModel/chemistryModel/TDACChemistryModel/tabulation/ISAT/ISAT.C @@ -84,14 +84,17 @@ Foam::chemistryTabulationMethods::ISAT::ISAT scalar otherScaleFactor = readScalar(scaleDict.lookup("otherSpecies")); for (label i=0; ichemistry_.Y()[i].name(); - if (!scaleDict.found(yName)) + if (!scaleDict.found(this->chemistry_.Y()[i].member())) { scaleFactor_[i] = otherScaleFactor; } else { - scaleFactor_[i] = readScalar(scaleDict.lookup(yName)); + scaleFactor_[i] = + readScalar + ( + scaleDict.lookup(this->chemistry_.Y()[i].member()) + ); } } scaleFactor_[Ysize] = readScalar(scaleDict.lookup("Temperature")); diff --git a/src/thermophysicalModels/chemistryModel/chemistryModel/TDACChemistryModel/tabulation/ISAT/chemPointISAT/chemPointISAT.C b/src/thermophysicalModels/chemistryModel/chemistryModel/TDACChemistryModel/tabulation/ISAT/chemPointISAT/chemPointISAT.C index c44182ba69..fe8693cbe9 100644 --- a/src/thermophysicalModels/chemistryModel/chemistryModel/TDACChemistryModel/tabulation/ISAT/chemPointISAT/chemPointISAT.C +++ b/src/thermophysicalModels/chemistryModel/chemistryModel/TDACChemistryModel/tabulation/ISAT/chemPointISAT/chemPointISAT.C @@ -512,7 +512,7 @@ bool Foam::chemPointISAT::inEOA(const scalarField& phiq) } else { - propName = chemistry_.Y()[maxIndex].name(); + propName = chemistry_.Y()[maxIndex].member(); } Info<< "Direction maximum impact to error in ellipsoid: " diff --git a/src/thermophysicalModels/chemistryModel/chemistryModel/TDACChemistryModel/tabulation/chemistryTabulationMethod/chemistryTabulationMethodNew.C b/src/thermophysicalModels/chemistryModel/chemistryModel/TDACChemistryModel/tabulation/chemistryTabulationMethod/chemistryTabulationMethodNew.C index 46c1a3e17c..963cd8b9c8 100644 --- a/src/thermophysicalModels/chemistryModel/chemistryModel/TDACChemistryModel/tabulation/chemistryTabulationMethod/chemistryTabulationMethodNew.C +++ b/src/thermophysicalModels/chemistryModel/chemistryModel/TDACChemistryModel/tabulation/chemistryTabulationMethod/chemistryTabulationMethodNew.C @@ -2,7 +2,7 @@ ========= | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox \\ / O peration | - \\ / A nd | Copyright (C) 2016 OpenFOAM Foundation + \\ / A nd | Copyright (C) 2016-2017 OpenFOAM Foundation \\/ M anipulation | ------------------------------------------------------------------------------- License @@ -40,7 +40,7 @@ Foam::chemistryTabulationMethod::New ( IOobject ( - "thermophysicalProperties", + IOobject::groupName("thermophysicalProperties",dict.group()), dict.db().time().constant(), dict.db(), IOobject::MUST_READ_IF_MODIFIED,