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Some changes to reduce extra printing

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Some changes due to a bad algorithm - Known - need to fix this.
This commit is contained in:
Harry Moffat 2010-12-31 23:20:55 +00:00
parent 8c4d47f59c
commit eb35f9e253
2 changed files with 17 additions and 14 deletions
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19
Cantera/src/equil/vcs_MultiPhaseEquil.cpp
View file

@ -1547,8 +1547,7 @@ namespace VCSnonideal {
if (!m_vsolvePtr) {
m_vsolvePtr = new VCS_SOLVE();
}
double feStable;
int iStable = m_vsolvePtr->vcs_PS(m_vprob, iph, printLvl, feStable);
int iStable = m_vsolvePtr->vcs_PS(m_vprob, iph, printLvl, funcStab);
/*
* Transfer the information back to the MultiPhase object.
@ -1559,13 +1558,13 @@ namespace VCSnonideal {
* states.
*/
m_mix->uploadMoleFractionsFromPhases();
for (int i = 0; i < m_vprob->nspecies; i++) {
plogf("%d %15.3e\n", m_vprob->m_gibbsSpecies[i]);
}
// for (int i = 0; i < m_vprob->nspecies; i++) {
// plogf("%d %15.3e\n", m_vprob->m_gibbsSpecies[i]);
//}
m_mix->getChemPotentials(DATA_PTR(m_vprob->m_gibbsSpecies));
for (int i = 0; i < m_vprob->nspecies; i++) {
plogf("%d %15.3e\n", m_vprob->m_gibbsSpecies[i]);
}
//for (int i = 0; i < m_vprob->nspecies; i++) {
// plogf("%d %15.3e\n", m_vprob->m_gibbsSpecies[i]);
//}
double te = tickTock.secondsWC();
if (printLvl > 0) {
@ -1576,9 +1575,9 @@ namespace VCSnonideal {
plogf("Pressure = %g Pa\n", m_vprob->PresPA);
std::string sss = m_mix->phaseName(iph);
if (iStable) {
plogf("Phase %d named %s is stable, function value = %g > 0\n", iph, sss.c_str(), feStable);
plogf("Phase %d named %s is stable, function value = %g > 0\n", iph, sss.c_str(), funcStab);
} else {
plogf("Phase %d named %s is not stable + function value = %g < 0\n", iph, sss.c_str(), feStable);
plogf("Phase %d named %s is not stable + function value = %g < 0\n", iph, sss.c_str(), funcStab);
}
plogf("\n");
plogf("----------------------------------------"

12
Cantera/src/equil/vcs_phaseStability.cpp
View file

@ -97,7 +97,7 @@ namespace VCSnonideal {
* We loop through the regular reaction looking for a reaction that can pop the
* component.
*/
printf("WE are here at new logic - CHECK\n");
//printf("WE are here at new logic - CHECK\n");
for (int jrxn = 0; jrxn < m_numRxnRdc; jrxn++) {
bool foundJrxn = false;
// First, if the component is a product of the reaction
@ -111,7 +111,7 @@ namespace VCSnonideal {
}
}
if (foundJrxn) {
printf("We have found a component phase pop! CHECK1 \n");
//printf("We have found a component phase pop! CHECK1 \n");
return true;
}
}
@ -131,7 +131,7 @@ namespace VCSnonideal {
}
}
if (foundJrxn) {
printf("We have found a component phase pop! CHECK2 \n");
//printf("We have found a component phase pop! CHECK2 \n");
return true;
}
}
@ -717,7 +717,7 @@ namespace VCSnonideal {
" normUpdate damp FuncPhaseStability\n", KP, KP, KP, KP);
plogf(" --------------------------------------------------------------"
"--------------------------------------------------------\n");
} else {
} else if (m_debug_print_lvl == 1) {
plogf(" --- vcs_phaseStabilityTest() called for phase %d\n", iph);
}
#endif
@ -757,6 +757,10 @@ namespace VCSnonideal {
for (k = 0; k < Vphase->nSpecies(); k++) {
sumFrac += fracDelta_old[k];
}
// Necessary because this can be identically zero. -> we need to fix this algorithm!
if (sumFrac <= 0.0) {
sumFrac = 1.0;
}
double sum_Xcomp = 0.0;
for (k = 0; k < Vphase->nSpecies(); k++) {
X_est[k] = fracDelta_old[k] / sumFrac;