Removed debugging code that didn't actually do anything
This commit is contained in:
parent
6c0cea5ee4
commit
7ec4531ae0
2 changed files with 0 additions and 58 deletions
|
|
@ -398,7 +398,6 @@ int VCS_SOLVE::vcs_popPhaseRxnStepSizes(const size_t iphasePop)
|
||||||
printf("ERROR vcs_popPhaseRxnStepSizes called for a phase that exists!");
|
printf("ERROR vcs_popPhaseRxnStepSizes called for a phase that exists!");
|
||||||
exit(-1);
|
exit(-1);
|
||||||
}
|
}
|
||||||
char anote[256];
|
|
||||||
if (m_debug_print_lvl >= 2) {
|
if (m_debug_print_lvl >= 2) {
|
||||||
plogf(" --- vcs_popPhaseRxnStepSizes() called to pop phase %s %d into existence\n",
|
plogf(" --- vcs_popPhaseRxnStepSizes() called to pop phase %s %d into existence\n",
|
||||||
Vphase->PhaseName.c_str(), iphasePop);
|
Vphase->PhaseName.c_str(), iphasePop);
|
||||||
|
|
@ -426,12 +425,6 @@ int VCS_SOLVE::vcs_popPhaseRxnStepSizes(const size_t iphasePop)
|
||||||
if (s != 0.0) {
|
if (s != 0.0) {
|
||||||
double s_old = s;
|
double s_old = s;
|
||||||
s = vcs_Hessian_diag_adj(irxn, s_old);
|
s = vcs_Hessian_diag_adj(irxn, s_old);
|
||||||
#ifdef DEBUG_MODE
|
|
||||||
if (s_old != s) {
|
|
||||||
sprintf(anote, "Normal calc: diag adjusted from %g "
|
|
||||||
"to %g due to act coeff", s_old, s);
|
|
||||||
}
|
|
||||||
#endif
|
|
||||||
m_deltaMolNumSpecies[kspec] = -m_deltaGRxn_new[irxn] / s;
|
m_deltaMolNumSpecies[kspec] = -m_deltaGRxn_new[irxn] / s;
|
||||||
} else {
|
} else {
|
||||||
// Ok, s is equal to zero. We can not apply a sophisticated theory
|
// Ok, s is equal to zero. We can not apply a sophisticated theory
|
||||||
|
|
@ -449,18 +442,8 @@ int VCS_SOLVE::vcs_popPhaseRxnStepSizes(const size_t iphasePop)
|
||||||
double negChangeComp = - stoicC * m_deltaMolNumSpecies[kspec];
|
double negChangeComp = - stoicC * m_deltaMolNumSpecies[kspec];
|
||||||
if (negChangeComp > m_molNumSpecies_old[j]) {
|
if (negChangeComp > m_molNumSpecies_old[j]) {
|
||||||
if (m_molNumSpecies_old[j] > 0.0) {
|
if (m_molNumSpecies_old[j] > 0.0) {
|
||||||
#ifdef DEBUG_MODE
|
|
||||||
sprintf(anote, "Delta damped from %g "
|
|
||||||
"to %g due to component %lu (%10s) going neg", m_deltaMolNumSpecies[kspec],
|
|
||||||
-m_molNumSpecies_old[j]/stoicC, j, m_speciesName[j].c_str());
|
|
||||||
#endif
|
|
||||||
m_deltaMolNumSpecies[kspec] = - 0.5 * m_molNumSpecies_old[j] / stoicC;
|
m_deltaMolNumSpecies[kspec] = - 0.5 * m_molNumSpecies_old[j] / stoicC;
|
||||||
} else {
|
} else {
|
||||||
#ifdef DEBUG_MODE
|
|
||||||
sprintf(anote, "Delta damped from %g "
|
|
||||||
"to %g due to component %lu (%10s) zero", m_deltaMolNumSpecies[kspec],
|
|
||||||
-m_molNumSpecies_old[j]/stoicC, j, m_speciesName[j].c_str());
|
|
||||||
#endif
|
|
||||||
m_deltaMolNumSpecies[kspec] = 0.0;
|
m_deltaMolNumSpecies[kspec] = 0.0;
|
||||||
}
|
}
|
||||||
}
|
}
|
||||||
|
|
@ -469,11 +452,6 @@ int VCS_SOLVE::vcs_popPhaseRxnStepSizes(const size_t iphasePop)
|
||||||
}
|
}
|
||||||
// Implement a damping term that limits m_deltaMolNumSpecies to the size of the mole number
|
// Implement a damping term that limits m_deltaMolNumSpecies to the size of the mole number
|
||||||
if (-m_deltaMolNumSpecies[kspec] > m_molNumSpecies_old[kspec]) {
|
if (-m_deltaMolNumSpecies[kspec] > m_molNumSpecies_old[kspec]) {
|
||||||
#ifdef DEBUG_MODE
|
|
||||||
sprintf(anote, "Delta damped from %g "
|
|
||||||
"to %g due to %s going negative", m_deltaMolNumSpecies[kspec],
|
|
||||||
-m_molNumSpecies_old[kspec], m_speciesName[kspec].c_str());
|
|
||||||
#endif
|
|
||||||
m_deltaMolNumSpecies[kspec] = -m_molNumSpecies_old[kspec];
|
m_deltaMolNumSpecies[kspec] = -m_molNumSpecies_old[kspec];
|
||||||
}
|
}
|
||||||
|
|
||||||
|
|
|
||||||
|
|
@ -1848,12 +1848,6 @@ void HMWSoln::s_updatePitzer_lnMolalityActCoeff() const
|
||||||
exit(EXIT_FAILURE);
|
exit(EXIT_FAILURE);
|
||||||
}
|
}
|
||||||
|
|
||||||
#ifdef DEBUG_MODE
|
|
||||||
int printE = 0;
|
|
||||||
if (temperature() == 323.15) {
|
|
||||||
printE = 0;
|
|
||||||
}
|
|
||||||
#endif
|
|
||||||
std::string sni, snj, snk;
|
std::string sni, snj, snk;
|
||||||
|
|
||||||
/*
|
/*
|
||||||
|
|
@ -2066,17 +2060,6 @@ void HMWSoln::s_updatePitzer_lnMolalityActCoeff() const
|
||||||
n = m_kk*i + j;
|
n = m_kk*i + j;
|
||||||
counterIJ = m_CounterIJ[n];
|
counterIJ = m_CounterIJ[n];
|
||||||
|
|
||||||
#ifdef DEBUG_MODE
|
|
||||||
if (printE) {
|
|
||||||
if (counterIJ == 2) {
|
|
||||||
printf("%s %s\n", speciesName(i).c_str(),
|
|
||||||
speciesName(j).c_str());
|
|
||||||
printf("beta0MX[%d] = %g\n", (int) counterIJ, beta0MX[counterIJ]);
|
|
||||||
printf("beta1MX[%d] = %g\n", (int) counterIJ, beta1MX[counterIJ]);
|
|
||||||
printf("beta2MX[%d] = %g\n", (int) counterIJ, beta2MX[counterIJ]);
|
|
||||||
}
|
|
||||||
}
|
|
||||||
#endif
|
|
||||||
/*
|
/*
|
||||||
* both species have a non-zero charge, and one is positive
|
* both species have a non-zero charge, and one is positive
|
||||||
* and the other is negative
|
* and the other is negative
|
||||||
|
|
@ -2143,15 +2126,6 @@ void HMWSoln::s_updatePitzer_lnMolalityActCoeff() const
|
||||||
} else {
|
} else {
|
||||||
CMX[counterIJ] = 0.0;
|
CMX[counterIJ] = 0.0;
|
||||||
}
|
}
|
||||||
#ifdef DEBUG_MODE
|
|
||||||
if (printE) {
|
|
||||||
if (counterIJ == 2) {
|
|
||||||
printf("%s %s\n", speciesName(i).c_str(),
|
|
||||||
speciesName(j).c_str());
|
|
||||||
printf("CphiMX[%d] = %g\n", (int) counterIJ, CphiMX[counterIJ]);
|
|
||||||
}
|
|
||||||
}
|
|
||||||
#endif
|
|
||||||
#ifdef DEBUG_MODE
|
#ifdef DEBUG_MODE
|
||||||
if (m_debugCalc) {
|
if (m_debugCalc) {
|
||||||
sni = speciesName(i);
|
sni = speciesName(i);
|
||||||
|
|
@ -2220,11 +2194,6 @@ void HMWSoln::s_updatePitzer_lnMolalityActCoeff() const
|
||||||
Aphi = A_Debye_TP() / 3.0;
|
Aphi = A_Debye_TP() / 3.0;
|
||||||
F = -Aphi * (sqrt(Is) / (1.0 + 1.2*sqrt(Is))
|
F = -Aphi * (sqrt(Is) / (1.0 + 1.2*sqrt(Is))
|
||||||
+ (2.0/1.2) * log(1.0+1.2*(sqrtIs)));
|
+ (2.0/1.2) * log(1.0+1.2*(sqrtIs)));
|
||||||
#ifdef DEBUG_MODE
|
|
||||||
if (printE) {
|
|
||||||
printf("Aphi = %20.13g\n", Aphi);
|
|
||||||
}
|
|
||||||
#endif
|
|
||||||
#ifdef DEBUG_MODE
|
#ifdef DEBUG_MODE
|
||||||
if (m_debugCalc) {
|
if (m_debugCalc) {
|
||||||
printf(" initial value of F = %10.6f \n", F);
|
printf(" initial value of F = %10.6f \n", F);
|
||||||
|
|
@ -2821,11 +2790,6 @@ void HMWSoln::s_updatePitzer_lnMolalityActCoeff() const
|
||||||
} else {
|
} else {
|
||||||
osmotic_coef = 1.0;
|
osmotic_coef = 1.0;
|
||||||
}
|
}
|
||||||
#ifdef DEBUG_MODE
|
|
||||||
if (printE) {
|
|
||||||
printf("OsmCoef - 1 = %20.13g\n", osmotic_coef - 1.0);
|
|
||||||
}
|
|
||||||
#endif
|
|
||||||
#ifdef DEBUG_MODE
|
#ifdef DEBUG_MODE
|
||||||
if (m_debugCalc) {
|
if (m_debugCalc) {
|
||||||
printf(" term1=%10.6f sum1=%10.6f sum2=%10.6f "
|
printf(" term1=%10.6f sum1=%10.6f sum2=%10.6f "
|
||||||
|
|
|
||||||
Loading…
Add table
Reference in a new issue