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Added debugging IO to phase stability problem.

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This commit is contained in:
Harry Moffat 2009-01-26 23:10:01 +00:00
parent 9b12761506
commit f062719e55
1 changed files with 35 additions and 18 deletions
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53
Cantera/src/equil/vcs_phaseStability.cpp
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@ -455,18 +455,6 @@ namespace VCSnonideal {
// it gets created
fracDelta_new = Vphase->fractionCreationDeltas();
#ifdef DEBUG_MODE
if (m_temperature < 380.) {
// fracDelta_new[0] = 0.8;
// fracDelta_new[1] = 0.1;
// fracDelta_new[2] = 1.0E-8;
// fracDelta_new[3] = 0.1;
//fracDelta_new[4] = 1.0E-8;
}
if (m_temperature < 390.) {
printf("we are here\n");
}
#endif
bool oneIsComponent = false;
std::vector<int> componentList;
@ -487,6 +475,18 @@ namespace VCSnonideal {
if (doSuccessiveSubstitution) {
#ifdef DEBUG_MODE
int KP = 0;
if (m_debug_print_lvl >= 2) {
plogf(" --- vcs_phaseStabilityTest() called\n");
plogf(" --- Its X_old[%2d] FracDel_old[%2d] deltaF[%2d] FracDel_new[%2d]"
" normUpdate damp FuncPhaseStability\n", KP, KP, KP, KP);
plogf(" --------------------------------------------------------------"
"--------------------------------------------------------\n");
} else {
plogf(" --- vcs_phaseStabilityTest() called for phase %d\n", iph);
}
#endif
bool converged = false;
for (int its = 0; its < 200 && (!converged); its++) {
@ -663,7 +663,8 @@ namespace VCSnonideal {
for (k = 0; k < Vphase->nSpecies(); k++) {
if (fabs(damp * delFrac[k]) > 0.3*fabs(fracDelta_old[k])) {
damp = MAX(0.3*fabs(fracDelta_old[k]) / fabs( delFrac[k]), 1.0E-8/fabs( delFrac[k]));
damp = MAX(0.3*fabs(fracDelta_old[k]) / fabs( delFrac[k]),
1.0E-8/fabs( delFrac[k]));
}
if (delFrac[k] < 0.0) {
if (2.0 * damp * (-delFrac[k]) > fracDelta_old[k]) {
@ -684,9 +685,13 @@ namespace VCSnonideal {
fracDelta_new[k] = fracDelta_old[k] + damp * (delFrac[k]);
}
#ifdef DEBUG_MODE
if (m_debug_print_lvl >= 2) {
plogf(" --- %3d %12g %12g %12g %12g %12g %12g %12g\n", its, X_est[KP], fracDelta_old[KP],
delFrac[KP], fracDelta_new[KP], normUpdate, damp, funcPhaseStability);
}
#endif
if (normUpdate < 1.0E-5) {
converged = true;
}
@ -694,7 +699,8 @@ namespace VCSnonideal {
}
if (converged) {
Vphase->setMoleFractionsState(0.0, VCS_DATA_PTR(X_est), VCS_STATECALC_PHASESTABILITY);
Vphase->setMoleFractionsState(0.0, VCS_DATA_PTR(X_est),
VCS_STATECALC_PHASESTABILITY);
Vphase->setFractionCreationDeltas( VCS_DATA_PTR(fracDelta_new));
}
@ -703,7 +709,18 @@ namespace VCSnonideal {
printf("not done yet\n");
exit(-1);
}
#ifdef DEBUG_MODE
if (m_debug_print_lvl >= 2) {
plogf(" ------------------------------------------------------------"
"-------------------------------------------------------------\n");
} else if (m_debug_print_lvl == 1) {
if (funcPhaseStability > 0.0) {
plogf(" --- phase %d with func = %g is to be born\n", iph, funcPhaseStability);
} else {
plogf(" --- phase %d with func = %g stays dead\n", iph, funcPhaseStability);
}
}
#endif
return funcPhaseStability;
}