void OpenSMOKE_KPP_SingleReactor::SolveCSTR_Corrector_Linearized(const double deltat, BzzMatrix &tmpMatrix)
{
// Reactions
kinetics->UpdateProperties(omega_, temperature_, pressure_, R_);
Product(volume_, R_, &RV_);
GetJacobian(omega_, tmpMatrix); // A = d(RV)/domega * Volume/mtot;
// The formulation is the same, both for deferred=on and deferred=off
// The difference is the Jacobian calculation (see GetJacobian function)
if (data_->PredictorCorrector_DeferredConvection() == false ||
data_->PredictorCorrector_DeferredConvection() == true)
{
// Rigth hand side
Product(-M_, omega_, &rhs_); // outflow
Sum(&rhs_, RV_); // reaction
Sum(&rhs_, mInTot_); // inflow
rhs_ *= deltat/mass_;
// Matrix
tmpMatrix *= -deltat;
for(int i=1;i<=numberOfSpecies;i++)
tmpMatrix[i][i] += 1.;
// Linear System solution
BzzFactorizedGauss AGauss(tmpMatrix);
Solve(AGauss, &rhs_);
// Updating
omega_ += rhs_;
}
}
void OpenSMOKE_KPP_SingleReactor::PrepareJacobianNewtonMethod(BzzFactorizedGauss& JacobianFactorized, BzzVector& omega, BzzMatrix &tmpMatrix)
{
GetJacobian(omega, tmpMatrix); // A = d(RV)/domega * Volume/mtot;
Product(mass_, &tmpMatrix);
for(int i=1;i<=numberOfSpecies;i++)
tmpMatrix[i][i] -= M_;
JacobianFactorized = tmpMatrix;
}
void TransformNDOF::GetHessian(const scalarArray &q, se3DbAry &H)
{
se3Array J(m_iDOF), dJ(m_iDOF);
GetJacobian(q, J);
scalarArray dq(m_iDOF);
for ( int i = 0; i < m_iDOF; i++ ) dq[i] = q[i];
for ( int i = 0; i < m_iDOF; i++ )
{
dq[i] += m_rEPS;
GetJacobian(dq, dJ);
for ( int j = i + 1; j < m_iDOF; j++ ) H[i][j] = (SCALAR_1 / m_rEPS) * (dJ[j] - J[j]);
dq[i] -= m_rEPS;
}
}
void DynamicChain2D::Update_J()
{
JP.resize(q.n,q.n);
JO.resize(q.n,q.n);
for(int i=0;i<q.n;i++) {
for(int j=0;j<q.n;j++) {
if(!GetJacobian(links[i].com,i,j,JO(i,j),JP(i,j))) { }
}
}
}
int DiscreteJacobianField::Inverse(const Sample & sample, Matrix & jacobian) const
{
return GetJacobian(_inverse_jacobians, sample, jacobian);
}
int DiscreteJacobianField::Forward(const Sample & sample, Matrix & jacobian) const
{
return GetJacobian(_forward_jacobians, sample, jacobian);
}
void OpenSMOKE_KPP_SingleReactor::AssemblingDiagonalBlockMatrix(const double deltat, BzzMatrix &tmpMatrix, BzzMatrix &diagonalBlockMatrix)
{
if (data_->networkStatus() == KPP_NETWORK_STATUS_GLOBALODE)
{
// Jacobian
GetJacobian(omega_, tmpMatrix); // A = d(RV)/domega /mtot;
Product(-deltat, &tmpMatrix); // A = -d(RV)/domega /mtot*deltat;
// DiagonalBlockMatrix
diagonalBlockMatrix = 0.;
diagonalBlockMatrix.SetDiagonal(0, 1.+M_*deltat/mass_);
Sum(&diagonalBlockMatrix, tmpMatrix);
// Global values for row block corresponding to the current reactor)
{
BzzVector mConvectionDiffusion_x_deltat_over_mass = mConvectionDiffusion_;
Product(deltat/mass_, &mConvectionDiffusion_x_deltat_over_mass);
int count=1;
for (int i=1;i<=numberOfSpecies;i++)
{
for (int k=1;k<=mConvectionDiffusion_.Size();k++)
if (iConvectionDiffusion_[k] < int(index_))
globalIndicesSparsityValues_[count++] = -mConvectionDiffusion_x_deltat_over_mass[k];
for (int k=1;k<=numberOfSpecies;k++)
globalIndicesSparsityValues_[count++] = diagonalBlockMatrix[i][k];
for (int k=1;k<=mConvectionDiffusion_.Size();k++)
if (iConvectionDiffusion_[k] > int(index_))
globalIndicesSparsityValues_[count++] = -mConvectionDiffusion_x_deltat_over_mass[k];
}
}
}
else if (data_->networkStatus() == KPP_NETWORK_STATUS_GLOBALNLS)
{
// Jacobian
GetJacobian(omega_, tmpMatrix); // A = d(RV)/domega /mtot;
Product(-mass_, &tmpMatrix);
// DiagonalBlockMatrix
diagonalBlockMatrix = 0.;
diagonalBlockMatrix.SetDiagonal(0, M_);
Sum(&diagonalBlockMatrix, tmpMatrix);
// Global values for row block corresponding to the current reactor)
{
int count=1;
for (int i=1;i<=numberOfSpecies;i++)
{
for (int k=1;k<=mConvectionDiffusion_.Size();k++)
if (iConvectionDiffusion_[k] < int(index_))
globalIndicesSparsityValues_[count++] = -mConvectionDiffusion_[k];
for (int k=1;k<=numberOfSpecies;k++)
globalIndicesSparsityValues_[count++] = diagonalBlockMatrix[i][k];
for (int k=1;k<=mConvectionDiffusion_.Size();k++)
if (iConvectionDiffusion_[k] > int(index_))
globalIndicesSparsityValues_[count++] = -mConvectionDiffusion_[k];
}
}
}
else
ErrorMessage("AssemblingDiagonalBlockMatrix is available only for KINPP_NETWORK_STATUS_GLOBALODE or KINPP_NETWORK_STATUS_GLOBALNLS");
}
