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Fixed an interface error with invoking ChemEquil.

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This commit is contained in:
Harry Moffat 2008-05-06 23:31:13 +00:00
parent dd4151b6b0
commit 3aa28fe8d7
3 changed files with 10 additions and 3 deletions
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2
Cantera/src/equil/ChemEquil.cpp
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@ -460,7 +460,7 @@ namespace Cantera {
* ThermoPhase object. The properties must be already contained
* within the current thermodynamic state of the system.
*/
int ChemEquil::equilibrate(thermo_t& s, const char* XY,
int ChemEquil::equilibrate(thermo_t& s, const char* XY,
bool useThermoPhaseElementPotentials, int loglevel) {
vector_fp elMolesGoal(s.nElements());
initialize(s);

4
Cantera/src/equil/equilibrate.cpp
View file

@ -198,7 +198,9 @@ namespace Cantera {
e->options.maxIterations = maxsteps;
e->options.relTolerance = rtol;
nAttempts++;
retnSub = e->equilibrate(s,XY,loglevel-1);
bool useThermoPhaseElementPotentials = true;
retnSub = e->equilibrate(s,XY,
useThermoPhaseElementPotentials, loglevel-1);
if (retnSub < 0) {
if (loglevel > 0)
addLogEntry("ChemEquil solver failed.");

7
Cantera/src/equil/vcs_equilibrate.cpp
View file

@ -160,7 +160,12 @@ namespace Cantera {
try {
e->options.maxIterations = maxsteps;
e->options.relTolerance = rtol;
retnSub = e->equilibrate(s,XY,loglevel-1);
bool useThermoPhaseElementPotentials = false;
if (estimateEquil == 0) {
useThermoPhaseElementPotentials = true;
}
retnSub = e->equilibrate(s, XY,
useThermoPhaseElementPotentials, loglevel-1);
if (retnSub < 0) {
if (loglevel > 0) {
addLogEntry("ChemEquil solver failed.");