Second iteration for solveProp. Added a routine to get the
final answer out.
This commit is contained in:
Harry Moffat
parent
45a427fe54
commit
d8ae74198d
2 changed files with 30 additions and 46 deletions
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@ -48,9 +48,6 @@ namespace Cantera {
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# define MIN(x,y) (( (x) < (y) ) ? (x) : (y)) /* min function */
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#endif
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#ifndef DAMPING
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# define DAMPING true
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#endif
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/***************************************************************************
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* solveSP Class Definitinos
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@ -152,27 +149,17 @@ namespace Cantera {
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* upload the initial conditions
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*/
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m_residFunc->getInitialConditions(t_real, DATA_PTR(m_CSolnSP), DATA_PTR(m_numEqn1));
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/*
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* Store the initial guess in the soln vector,
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* CSoln, and in an separate vector CSolnInit.
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* CSolnSP, and in an separate vector CSolnSPInit.
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*/
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for (int n = 0; n < m_neq; n++) {
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// m_CSolnSP[loc] = m_numEqn1[k];
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}
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std::copy(m_CSolnSP.begin(), m_CSolnSP.end(), m_CSolnSPInit.begin());
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// Calculate the largest species in each phase
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// evalSurfLarge(DATA_PTR(m_CSolnSP));
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/*
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* Get the net production rate of all species in the kinetics manager.
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*/
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// m_kin->getNetProductionRates(DATA_PTR(m_netProductionRatesSave));
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if (m_ioflag) {
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print_header(m_ioflag, ifunc, time_scale, DAMPING, reltol, abstol,
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print_header(m_ioflag, ifunc, time_scale, reltol, abstol,
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DATA_PTR(m_netProductionRatesSave));
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}
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@ -313,9 +300,9 @@ namespace Cantera {
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* in any unknown.
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*/
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#ifdef DAMPING
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damp = calc_damping( DATA_PTR(m_CSolnSP), DATA_PTR(m_resid), m_neq, &label_d);
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#endif
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damp = calc_damping(DATA_PTR(m_CSolnSP), DATA_PTR(m_resid), m_neq, &label_d);
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/*
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* Calculate the weighted norm of the update vector
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@ -334,7 +321,6 @@ namespace Cantera {
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for (irow = 0; irow < m_neq; irow++) {
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m_CSolnSP[irow] = MAX(0.0, m_CSolnSP[irow]);
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}
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updateState(DATA_PTR(m_CSolnSP));
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if (do_time) t_real += damp/inv_t;
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@ -411,17 +397,14 @@ namespace Cantera {
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if (update_norm > 1.0) {
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return -1;
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}
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return 1;
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return 0;
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}
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#undef DAMPING
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//================================================================================================
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/*
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* Update the surface states of the surface phases.
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*/
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void solveProb::updateState(const doublereal *CSolnSP) {
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void solveProb::reportState(doublereal * const CSolnSP) const {
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std::copy(m_CSolnSP.begin(), m_CSolnSP.end(), CSolnSP);
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}
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//================================================================================================
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/*
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@ -434,8 +417,8 @@ namespace Cantera {
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* This routine uses the m_numEqn1 and m_netProductionRatesSave vectors
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* as temporary internal storage.
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*/
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void solveProb::fun_eval(doublereal * resid, const doublereal *CSoln,
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const doublereal *CSolnOld, const bool do_time,
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void solveProb::fun_eval(doublereal * const resid, const doublereal * const CSoln,
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const doublereal * const CSolnOld, const bool do_time,
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const doublereal deltaT)
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{
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if (do_time) {
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@ -690,8 +673,9 @@ namespace Cantera {
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* Optional printing at the start of the solveProb problem
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*/
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void solveProb::print_header(int ioflag, int ifunc, doublereal time_scale,
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int damping, doublereal reltol, doublereal abstol,
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doublereal netProdRate[]) {
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doublereal reltol, doublereal abstol,
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doublereal netProdRate[]) {
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int damping = 1;
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if (ioflag) {
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printf("\n================================ SOLVEPROB CALL SETUP "
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"========================================\n");
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@ -864,7 +848,7 @@ namespace Cantera {
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#endif
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} /* printIteration */
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//================================================================================================
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//================================================================================================
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void solveProb::printFinal(int ioflag, doublereal damp, int label_d, int label_t,
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doublereal inv_t, doublereal t_real, int iter,
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doublereal update_norm, doublereal resid_norm,
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@ -86,12 +86,12 @@ namespace Cantera {
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* 4 values:
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*
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*
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* 1: SFLUX_INITIALIZE = This assumes that the initial guess supplied to the
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* 1: SOLVEPROB_INITIALIZE = This assumes that the initial guess supplied to the
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* routine is far from the correct one. Substantial
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* work plus transient time-stepping is to be expected
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* to find a solution.
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*
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* 2: SFLUX_RESIDUAL = Need to solve the nonlinear problem in order to
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* 2: SOLVEPROB_RESIDUAL = Need to solve the nonlinear problem in order to
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* calculate quantities for a residual calculation
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* (Can expect a moderate change in the solution
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* vector -> try to solve the system by direct methods
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@ -101,14 +101,14 @@ namespace Cantera {
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* algorithm to determine when to shut off
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* time-stepping.
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*
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* 3: SFLUX_JACOBIAN = Calculation of the surface problem is due to the
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* 3: SOLVEPROB_JACOBIAN = Calculation of the surface problem is due to the
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* need for a numerical jacobian for the gas-problem.
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* The solution is expected to be very close to the
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* initial guess, and extra accuracy is needed because
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* solution variables have been delta'd from
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* nominal values to create jacobian entries.
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*
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* 4: SFLUX_TRANSIENT = The transient calculation is performed here for an
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* 4: SOLVEPROB_TRANSIENT = The transient calculation is performed here for an
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* amount of time specified by "time_scale". It is
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* not garraunted to be time-accurate - just stable
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* and fairly fast. The solution after del_t time is
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@ -193,12 +193,19 @@ namespace Cantera {
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int solve(int ifunc, doublereal time_scale,
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doublereal reltol, doublereal abstol);
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//! Report the current state of the solution
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/*!
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* @param Report the solution vector for the nonlinear problem
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*/
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virtual void reportState(doublereal * const CSoln) const;
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private:
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//! Printing routine that gets called at the start of every
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//! invocation
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virtual void print_header(int ioflag, int ifunc, doublereal time_scale,
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int damping, doublereal reltol, doublereal abstol,
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doublereal reltol, doublereal abstol,
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doublereal netProdRate[]);
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#ifdef DEBUG_SOLVEPROB
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@ -289,13 +296,6 @@ namespace Cantera {
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doublereal inv_t, doublereal t_real, int iter,
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bool do_time);
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#endif
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/**
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* Update the surface states of the surface phases.
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*/
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virtual void updateState(const doublereal *cSurfSpec);
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//! Main Function evalulation
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/*!
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@ -308,8 +308,8 @@ namespace Cantera {
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* @param do_time Calculate a time dependent residual
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* @param deltaT Delta time for time dependent problem.
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*/
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virtual void fun_eval(doublereal* resid, const doublereal *CSolnSP,
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const doublereal *CSolnOldSP, const bool do_time, const doublereal deltaT);
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virtual void fun_eval(doublereal* const resid, const doublereal * const CSolnSP,
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const doublereal * const CSolnOldSP, const bool do_time, const doublereal deltaT);
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//! Main routine that calculates the current residual and Jacobian
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/*!
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