diff --git a/dumux/material/constraintsolvers/compositionfromfugacities.hh b/dumux/material/constraintsolvers/compositionfromfugacities.hh
index 62d89f7b3ad55ce12c45c726fda6c9a25fa54a53..560352e46b76f2511153c3147b030dfac05bff07 100644
--- a/dumux/material/constraintsolvers/compositionfromfugacities.hh
+++ b/dumux/material/constraintsolvers/compositionfromfugacities.hh
@@ -307,25 +307,26 @@ protected:
//Scalar sumMoleFrac = 0.0;
//ComponentVector newB(1e100);
//for (int numTries = 0; numTries < 1; ++numTries) {
- // change composition
- for (int i = 0; i < numComponents; ++i) {
- Scalar newx = origComp[i] - x[i];
-#if 1
- // only allow negative mole fractions if the target fugacity is negative
- if (targetFug[i] > 0)
- newx = std::max(0.0, newx);
- // only allow positive mole fractions if the target fugacity is positive
- else if (targetFug[i] < 0)
- newx = std::min(0.0, newx);
- // if the target fugacity is zero, the mole fraction must also be zero
- else
- newx = 0;
-#endif
- fluidState.setMoleFraction(phaseIdx, i, newx);
- //sumMoleFrac += std::abs(newx);
- }
+ // change composition
+ for (unsigned int i = 0; i < numComponents; ++i)
+ {
+ Scalar newx = origComp[i] - x[i];
+
+ // only allow negative mole fractions if the target fugacity is negative
+ if (targetFug[i] > 0)
+ newx = std::max(0.0, newx);
+ // only allow positive mole fractions if the target fugacity is positive
+ else if (targetFug[i] < 0)
+ newx = std::min(0.0, newx);
+ // if the target fugacity is zero, the mole fraction must also be zero
+ else
+ newx = 0;
+
+ fluidState.setMoleFraction(phaseIdx, i, newx);
+ //sumMoleFrac += std::abs(newx);
+ }
- paramCache.updateComposition(fluidState, phaseIdx);
+ paramCache.updateComposition(fluidState, phaseIdx);
/*
// if the sum of the mole fractions gets 0, we take the
diff --git a/dumux/porousmediumflow/2p2c/sequential/fvtransport.hh b/dumux/porousmediumflow/2p2c/sequential/fvtransport.hh
index d417607e8dd7a81d74d4e4b827f0af19d6843a12..4ee240cbc6bdff391112fa9a9082292890f72821 100644
--- a/dumux/porousmediumflow/2p2c/sequential/fvtransport.hh
+++ b/dumux/porousmediumflow/2p2c/sequential/fvtransport.hh
@@ -1328,44 +1328,44 @@ void FVTransport2P2C<TypeTag>::innerUpdate(TransportSolutionType& updateVec)
if (verbosity_ > 0)
std::cout<<" Sub-time-step size: "<<subDt<< std::endl;
- bool stopTimeStep = false;
- int size = problem_.gridView().size(0);
- for (int i = 0; i < size; i++)
+ bool stopTimeStep = false;
+ int size = problem_.gridView().size(0);
+ for (int i = 0; i < size; i++)
+ {
+ EntryType newVal(0);
+ int transportedQuantities = GET_PROP_VALUE(TypeTag, NumEq) - 1; // NumEq - 1 pressure Eq
+ for (int eqNumber = 0; eqNumber < transportedQuantities; eqNumber++)
{
- EntryType newVal(0);
- int transportedQuantities = GET_PROP_VALUE(TypeTag, NumEq) - 1; // NumEq - 1 pressure Eq
- for (int eqNumber = 0; eqNumber < transportedQuantities; eqNumber++)
- {
- newVal[eqNumber] = totalConcentration_[eqNumber][i];
- newVal[eqNumber] += updateVec[eqNumber][i] * subDt;
- }
- if (!asImp_().inPhysicalRange(newVal))
- {
- stopTimeStep = true;
+ newVal[eqNumber] = totalConcentration_[eqNumber][i];
+ newVal[eqNumber] += updateVec[eqNumber][i] * subDt;
+ }
+ if (!asImp_().inPhysicalRange(newVal))
+ {
+ stopTimeStep = true;
- break;
- }
+ break;
}
+ }
#if HAVE_MPI
- int rank = 0;
- if (stopTimeStep)
- rank = problem_.gridView().comm().rank();
+ int rank = 0;
+ if (stopTimeStep)
+ rank = problem_.gridView().comm().rank();
- rank = problem_.gridView().comm().max(rank);
- problem_.gridView().comm().broadcast(&stopTimeStep,1,rank);
+ rank = problem_.gridView().comm().max(rank);
+ problem_.gridView().comm().broadcast(&stopTimeStep,1,rank);
#endif
- if (stopTimeStep && accumulatedDtOld > dtThreshold_)
- {
- problem_.timeManager().setTimeStepSize(accumulatedDtOld);
- break;
- }
- else
- {
- asImp_().updateTransportedQuantity(updateVec, subDt);
- }
+ if (stopTimeStep && accumulatedDtOld > dtThreshold_)
+ {
+ problem_.timeManager().setTimeStepSize(accumulatedDtOld);
+ break;
+ }
+ else
+ {
+ asImp_().updateTransportedQuantity(updateVec, subDt);
+ }
if (accumulatedDt_ >= realDt)
diff --git a/dumux/porousmediumflow/2pnc/implicit/volumevariables.hh b/dumux/porousmediumflow/2pnc/implicit/volumevariables.hh
index 8b29523389f09523bd5f709e6ca3bd73404bc56e..f9b1b4420fb732b96c5e3a4907a1ff466605e2c1 100644
--- a/dumux/porousmediumflow/2pnc/implicit/volumevariables.hh
+++ b/dumux/porousmediumflow/2pnc/implicit/volumevariables.hh
@@ -137,39 +137,42 @@ public:
typename FluidSystem::ParameterCache paramCache;
paramCache.updateAll(fluidState_);
for (int phaseIdx = 0; phaseIdx < numPhases; ++phaseIdx)
- {// relative permeabilities
- Scalar kr;
- if (phaseIdx == wPhaseIdx)
- kr = MaterialLaw::krw(materialParams, saturation(wPhaseIdx));
- else // ATTENTION: krn requires the liquid saturation
- // as parameter!
- kr = MaterialLaw::krn(materialParams, saturation(wPhaseIdx));
- mobility_[phaseIdx] = kr / fluidState_.viscosity(phaseIdx);
- Valgrind::CheckDefined(mobility_[phaseIdx]);
- int compIIdx = phaseIdx;
- for(int compIdx = 0; compIdx < numComponents; ++compIdx)
- {
- int compJIdx = compIdx;
- // binary diffusion coefficents
- diffCoeff_[phaseIdx][compIdx] = 0.0;
- if(compIIdx!= compJIdx)
- diffCoeff_[phaseIdx][compIdx] = FluidSystem::binaryDiffusionCoefficient(fluidState_,
- paramCache,
- phaseIdx,
- compIIdx,
- compJIdx);
- Valgrind::CheckDefined(diffCoeff_[phaseIdx][compIdx]);
+ {// relative permeabilities
+ Scalar kr;
+ if (phaseIdx == wPhaseIdx)
+ kr = MaterialLaw::krw(materialParams, saturation(wPhaseIdx));
+ else // ATTENTION: krn requires the liquid saturation
+ // as parameter!
+ kr = MaterialLaw::krn(materialParams, saturation(wPhaseIdx));
+
+ mobility_[phaseIdx] = kr / fluidState_.viscosity(phaseIdx);
+ Valgrind::CheckDefined(mobility_[phaseIdx]);
+ int compIIdx = phaseIdx;
+ for (unsigned int compJIdx = 0; compJIdx < numComponents; ++compJIdx)
+ {
+ // binary diffusion coefficents
+ diffCoeff_[phaseIdx][compJIdx] = 0.0;
+ if(compIIdx!= compJIdx)
+ {
+ diffCoeff_[phaseIdx][compJIdx] =
+ FluidSystem::binaryDiffusionCoefficient(fluidState_,
+ paramCache,
+ phaseIdx,
+ compIIdx,
+ compJIdx);
}
+ Valgrind::CheckDefined(diffCoeff_[phaseIdx][compJIdx]);
}
+ }
- // porosity
- porosity_ = problem.spatialParams().porosity(element,
- fvGeometry,
- scvIdx);
- Valgrind::CheckDefined(porosity_);
- // energy related quantities not contained in the fluid state
+ // porosity
+ porosity_ = problem.spatialParams().porosity(element,
+ fvGeometry,
+ scvIdx);
+ Valgrind::CheckDefined(porosity_);
+ // energy related quantities not contained in the fluid state
- asImp_().updateEnergy_(priVars, problem,element, fvGeometry, scvIdx, isOldSol);
+ asImp_().updateEnergy_(priVars, problem,element, fvGeometry, scvIdx, isOldSol);
}
/*!
diff --git a/dumux/porousmediumflow/sequential/cellcentered/transport.hh b/dumux/porousmediumflow/sequential/cellcentered/transport.hh
index 054f0f1c9f2f329230eaa703a9fe3f2075c8d893..f8d548f695f857a2c93f2cefd806a6890652f9b1 100644
--- a/dumux/porousmediumflow/sequential/cellcentered/transport.hh
+++ b/dumux/porousmediumflow/sequential/cellcentered/transport.hh
@@ -590,41 +590,41 @@ void FVTransport<TypeTag>::innerUpdate(TransportSolutionType& updateVec)
if (verbosity_ > 0)
std::cout<<" Sub-time-step size: "<<subDt<<"\n";
- TransportSolutionType transportedQuantity;
- asImp_().getTransportedQuantity(transportedQuantity);
+ TransportSolutionType transportedQuantity;
+ asImp_().getTransportedQuantity(transportedQuantity);
- bool stopTimeStep = false;
- int size = transportedQuantity.size();
- for (int i = 0; i < size; i++)
+ bool stopTimeStep = false;
+ int size = transportedQuantity.size();
+ for (int i = 0; i < size; i++)
+ {
+ Scalar newVal = transportedQuantity[i] += updateVec[i] * subDt;
+ if (!asImp_().inPhysicalRange(newVal))
{
- Scalar newVal = transportedQuantity[i] += updateVec[i] * subDt;
- if (!asImp_().inPhysicalRange(newVal))
- {
- stopTimeStep = true;
+ stopTimeStep = true;
- break;
- }
+ break;
}
+ }
#if HAVE_MPI
- int rank = 0;
- if (stopTimeStep)
- rank = problem_.gridView().comm().rank();
+ int rank = 0;
+ if (stopTimeStep)
+ rank = problem_.gridView().comm().rank();
- rank = problem_.gridView().comm().max(rank);
- problem_.gridView().comm().broadcast(&stopTimeStep,1,rank);
+ rank = problem_.gridView().comm().max(rank);
+ problem_.gridView().comm().broadcast(&stopTimeStep,1,rank);
#endif
- if (stopTimeStep && accumulatedDtOld > dtThreshold_)
- {
- problem_.timeManager().setTimeStepSize(accumulatedDtOld);
- break;
- }
- else
- {
- asImp_().setTransportedQuantity(transportedQuantity);
- }
+ if (stopTimeStep && accumulatedDtOld > dtThreshold_)
+ {
+ problem_.timeManager().setTimeStepSize(accumulatedDtOld);
+ break;
+ }
+ else
+ {
+ asImp_().setTransportedQuantity(transportedQuantity);
+ }
if (accumulatedDt_ >= realDt)