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[Kinetics] Eliminate unnecessary variable solveSP::m_JacCol

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This commit is contained in:
Ray Speth 2014-03-24 04:02:23 +00:00
parent 44c53a6f27
commit 4d1622ee96
2 changed files with 6 additions and 21 deletions
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12
include/cantera/kinetics/solveSP.h
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@ -316,8 +316,7 @@ private:
//! Main routine that calculates the current residual and Jacobian
/*!
* @param JacCol Vector of pointers to the tops of columns of the
* Jacobian to be evaluated.
* @param jac Jacobian to be evaluated.
* @param resid output Vector of residuals, length = m_neq
* @param CSolnSP Vector of species concentrations, unknowns in the
* problem, length = m_neq. These are tweaked in order
@ -327,7 +326,7 @@ private:
* @param do_time Calculate a time dependent residual
* @param deltaT Delta time for time dependent problem.
*/
void resjac_eval(std::vector<doublereal*>& JacCol, doublereal* resid,
void resjac_eval(SquareMatrix& jac, doublereal* resid,
doublereal* CSolnSP,
const doublereal* CSolnSPOld, const bool do_time,
const doublereal deltaT);
@ -533,13 +532,6 @@ private:
//! Vector of mole fractions. length m_maxTotSpecies
vector_fp m_XMolKinSpecies;
//! Vector of pointers to the top of the columns of the Jacobian
/*!
* The "dim" by "dim" computed Jacobian matrix for the
* local Newton's method.
*/
std::vector<doublereal*> m_JacCol;
//! Jacobian. m_neq by m_neq computed Jacobian matrix for the local
//! Newton's method.
SquareMatrix m_Jac;

15
src/kinetics/solveSP.cpp
View file

@ -125,10 +125,6 @@ solveSP::solveSP(ImplicitSurfChem* surfChemPtr, int bulkFunc) :
m_wtSpecies.resize(dim1, 0.0);
m_resid.resize(dim1, 0.0);
m_Jac.resize(dim1, dim1, 0.0);
m_JacCol.resize(dim1, 0);
for (size_t k = 0; k < dim1; k++) {
m_JacCol[k] = m_Jac.ptrColumn(k);
}
}
solveSP::~solveSP()
@ -268,7 +264,7 @@ int solveSP::solveSurfProb(int ifunc, doublereal time_scale, doublereal TKelvin,
* Call the routine to numerically evaluation the jacobian
* and residual for the current iteration.
*/
resjac_eval(m_JacCol, DATA_PTR(m_resid), DATA_PTR(m_CSolnSP),
resjac_eval(m_Jac, DATA_PTR(m_resid), DATA_PTR(m_CSolnSP),
DATA_PTR(m_CSolnSPOld), do_time, deltaT);
/*
@ -580,14 +576,13 @@ void solveSP::fun_eval(doublereal* resid, const doublereal* CSoln,
}
}
void solveSP::resjac_eval(std::vector<doublereal*> &JacCol,
void solveSP::resjac_eval(SquareMatrix& jac,
doublereal resid[], doublereal CSoln[],
const doublereal CSolnOld[], const bool do_time,
const doublereal deltaT)
{
size_t kColIndex = 0, nsp, jsp, i, kCol;
doublereal dc, cSave, sd;
doublereal* col_j;
/*
* Calculate the residual
*/
@ -603,9 +598,8 @@ void solveSP::resjac_eval(std::vector<doublereal*> &JacCol,
dc = std::max(1.0E-10 * sd, fabs(cSave) * 1.0E-7);
CSoln[kColIndex] += dc;
fun_eval(DATA_PTR(m_numEqn2), CSoln, CSolnOld, do_time, deltaT);
col_j = JacCol[kColIndex];
for (i = 0; i < m_neq; i++) {
col_j[i] = (m_numEqn2[i] - resid[i])/dc;
jac(i, kColIndex) = (m_numEqn2[i] - resid[i])/dc;
}
CSoln[kColIndex] = cSave;
kColIndex++;
@ -621,9 +615,8 @@ void solveSP::resjac_eval(std::vector<doublereal*> &JacCol,
dc = std::max(1.0E-10 * sd, fabs(cSave) * 1.0E-7);
CSoln[kColIndex] += dc;
fun_eval(DATA_PTR(m_numEqn2), CSoln, CSolnOld, do_time, deltaT);
col_j = JacCol[kColIndex];
for (i = 0; i < m_neq; i++) {
col_j[i] = (m_numEqn2[i] - resid[i])/dc;
jac(i, kColIndex) = (m_numEqn2[i] - resid[i])/dc;
}
CSoln[kColIndex] = cSave;
kColIndex++;