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Changed a variable name

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This commit is contained in:
Harry Moffat 2008-04-18 20:56:59 +00:00
parent b9533bcf34
commit 1f8618f090
6 changed files with 20 additions and 18 deletions
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4
Cantera/src/equil/vcs_nondim.cpp
View file

@ -106,7 +106,7 @@ void VCS_SOLVE::vcs_nondim_TP(void) {
m_gibbsSpecies[i] *= tf;
dg[i] *= tf;
dgl[i] *= tf;
fel[i] *= tf;
m_feSpecies_old[i] *= tf;
}
Faraday_dim = vcs_nondim_Farad(m_VCS_UnitsFormat, T);
@ -146,7 +146,7 @@ void VCS_SOLVE::vcs_redim_TP(void)
m_gibbsSpecies[i] *= tf;
dg[i] *= tf;
dgl[i] *= tf;
fel[i] *= tf;
m_feSpecies_old[i] *= tf;
}
Faraday_dim *= tf;
}

2
Cantera/src/equil/vcs_prep.cpp
View file

@ -285,7 +285,7 @@ int VCS_SOLVE::vcs_prep(void) {
* Initialize various arrays in the data to zero
*/
vcs_dzero(VCS_DATA_PTR(m_gibbsSpecies), m_numSpeciesTot);
vcs_vdzero(fel, m_numSpeciesTot);
vcs_vdzero(m_feSpecies_old, m_numSpeciesTot);
vcs_vdzero(wt, m_numSpeciesTot);
vcs_dzero(&(DnPhase[0][0]), m_numSpeciesTot*NPhase);
vcs_izero(&(PhaseParticipation[0][0]), m_numSpeciesTot*NPhase);

3
Cantera/src/equil/vcs_rxnadj.cpp
View file

@ -418,7 +418,8 @@ double VCS_SOLVE::vcs_line_search(int irxn, double dx_orig)
/*
* Calculate the deltaG value at the dx = 0.0 point
*/
double deltaGOrig = deltaG_Recalc_Rxn(irxn, molNumBase, acBase, VCS_DATA_PTR(fel));
double deltaGOrig = deltaG_Recalc_Rxn(irxn, molNumBase, acBase,
VCS_DATA_PTR(m_feSpecies_old));
double forig = fabs(deltaGOrig) + 1.0E-15;
if (deltaGOrig > 0.0) {
if (dx_orig > 0.0) {

2
Cantera/src/equil/vcs_solve.cpp
View file

@ -127,7 +127,7 @@ namespace VCSnonideal {
m_deltaGRxn_tmp.resize(nspecies0, 0.0);
ds.resize(nspecies0, 0.0);
fel.resize(nspecies0, 0.0);
m_feSpecies_old.resize(nspecies0, 0.0);
ga.resize(nelements, 0.0);
gai.resize(nelements, 0.0);

7
Cantera/src/equil/vcs_solve.h
View file

@ -433,11 +433,12 @@ public:
*/
std::vector<double> m_gibbsSpecies;
//! Old free energy vector from the previous iteration
//! Free energy vector from the start of the current iteration
/*!
* fe[] is copied into fel[]
* The free energies are saved at the start of the current iteration.
* Length = number of species
*/
std::vector<double> fel;
std::vector<double> m_feSpecies_old;
//! Dimensionless trial free energy for all the species in the mechanism
//! at the current T, P, and mole numbers.

20
Cantera/src/equil/vcs_solve_TP.cpp
View file

@ -442,7 +442,7 @@ namespace VCSnonideal {
}
}
vcs_dcopy(VCS_DATA_PTR(fel), VCS_DATA_PTR(m_gibbsSpecies), m_numSpeciesRdc);
vcs_dcopy(VCS_DATA_PTR(m_feSpecies_old), VCS_DATA_PTR(m_gibbsSpecies), m_numSpeciesRdc);
vcs_dcopy(VCS_DATA_PTR(feTrial), VCS_DATA_PTR(m_gibbsSpecies), m_numSpeciesRdc);
vcs_dcopy(VCS_DATA_PTR(ActCoeff0), VCS_DATA_PTR(ActCoeff), m_numSpeciesRdc);
vcs_dcopy(VCS_DATA_PTR(dgl), VCS_DATA_PTR(dg), m_numRxnRdc);
@ -903,7 +903,7 @@ namespace VCSnonideal {
* which have yet to be processed in the main loop
*/
for (ll = kspec+1; ll < m_numSpeciesRdc; ++ll) {
fel[ll] = m_gibbsSpecies[ll];
m_feSpecies_old[ll] = m_gibbsSpecies[ll];
}
for (ll = irxn+1; ll < m_numRxnRdc; ++ll) {
dgl[ll] = dg[ll];
@ -1117,7 +1117,7 @@ namespace VCSnonideal {
/* *************************************************************** */
if (printDetails) {
plogf(" --- Total Old Dimensionless Gibbs Free Energy = %20.13E\n",
vcs_Total_Gibbs(VCS_DATA_PTR(soln), VCS_DATA_PTR(fel),
vcs_Total_Gibbs(VCS_DATA_PTR(soln), VCS_DATA_PTR(m_feSpecies_old),
VCS_DATA_PTR(TPhMoles)));
plogf(" --- Total tentative Dimensionless Gibbs Free Energy = %20.13E",
vcs_Total_Gibbs(VCS_DATA_PTR(wt), VCS_DATA_PTR(m_gibbsSpecies),
@ -1181,14 +1181,14 @@ namespace VCSnonideal {
for (i = 0; i < m_numComponents; ++i) {
plogf(" --- %-12.12s", SpName[i].c_str()); plogf(" ");
plogf("%14.6E%14.6E%14.6E%14.6E\n", soln[i],
wt[i], fel[i], m_gibbsSpecies[i]);
wt[i], m_feSpecies_old[i], m_gibbsSpecies[i]);
}
for (i = m_numComponents; i < m_numSpeciesRdc; ++i) {
l1 = i - m_numComponents;
plogf(" --- %-12.12s", SpName[i].c_str());
plogf(" %2d %14.6E%14.6E%14.6E%14.6E%14.6E%14.6E\n",
spStatus[l1], soln[i],
wt[i], fel[i], m_gibbsSpecies[i],
wt[i], m_feSpecies_old[i], m_gibbsSpecies[i],
dgl[l1], dg[l1]);
}
for (kspec = m_numSpeciesRdc; kspec < m_numSpeciesTot; ++kspec) {
@ -1196,7 +1196,7 @@ namespace VCSnonideal {
plogf(" --- %-12.12s", SpName[kspec].c_str());
plogf(" %2d %14.6E%14.6E%14.6E%14.6E%14.6E%14.6E\n",
spStatus[l1], soln[kspec],
wt[kspec], fel[kspec], m_gibbsSpecies[kspec],
wt[kspec], m_feSpecies_old[kspec], m_gibbsSpecies[kspec],
dgl[l1], dg[l1]);
}
plogf(" ---"); print_space(56);
@ -1213,7 +1213,7 @@ namespace VCSnonideal {
}
plogf(" "); vcs_print_line("-", 103);
plogf(" --- Total Old Dimensionless Gibbs Free Energy = %20.13E\n",
vcs_Total_Gibbs(VCS_DATA_PTR(soln), VCS_DATA_PTR(fel),
vcs_Total_Gibbs(VCS_DATA_PTR(soln), VCS_DATA_PTR(m_feSpecies_old),
VCS_DATA_PTR(TPhMoles)));
plogf(" --- Total New Dimensionless Gibbs Free Energy = %20.13E",
vcs_Total_Gibbs(VCS_DATA_PTR(wt), VCS_DATA_PTR(m_gibbsSpecies),
@ -1244,7 +1244,7 @@ namespace VCSnonideal {
vcs_dcopy(VCS_DATA_PTR(TPhMoles), VCS_DATA_PTR(TPhMoles1), NPhase);
vcs_dcopy(VCS_DATA_PTR(soln), VCS_DATA_PTR(wt), m_numSpeciesRdc);
vcs_dcopy(VCS_DATA_PTR(dgl), VCS_DATA_PTR(dg), m_numRxnRdc);
vcs_dcopy(VCS_DATA_PTR(fel), VCS_DATA_PTR(m_gibbsSpecies), m_numSpeciesRdc);
vcs_dcopy(VCS_DATA_PTR(m_feSpecies_old), VCS_DATA_PTR(m_gibbsSpecies), m_numSpeciesRdc);
vcs_updateVP(0);
/*
@ -2261,7 +2261,7 @@ namespace VCSnonideal {
dg[irxn] = 0.0;
dgl[irxn] = 0.0;
m_gibbsSpecies[kspec] = 0.0;
fel[kspec] = 0.0;
m_feSpecies_old[kspec] = 0.0;
wt[kspec] = 0.0;
/*
* Rearrange the data if the current species isn't the last active
@ -4676,7 +4676,7 @@ namespace VCSnonideal {
SWAP(m_spSize[k1], m_spSize[k2], t1);
SWAP(m_gibbsSpecies[k1], m_gibbsSpecies[k2], t1);
SWAP(ds[k1], ds[k2], t1);
SWAP(fel[k1], fel[k2], t1);
SWAP(m_feSpecies_old[k1], m_feSpecies_old[k2], t1);
SWAP(feTrial[k1], feTrial[k2], t1);
SWAP(SSPhase[k1], SSPhase[k2], j);
SWAP(PhaseID[k1], PhaseID[k2], j);