9#ifndef VCS_MULTIPHASEEQUIL_H
10#define VCS_MULTIPHASEEQUIL_H
84 int printLvl= 0, doublereal err = 1.0e-6,
108 int printLvl= 0, doublereal err = 1.0e-6,
144 int equilibrate_HP(doublereal Htarget,
int XY,
double Tlow,
double Thigh,
145 int estimateEquil = 0,
146 int printLvl = 0, doublereal err = 1.0E-6,
180 int estimateEquil = 0,
181 int printLvl = 0, doublereal err = 1.0E-6,
213 int estimateEquil = 0,
214 int printLvl = 0, doublereal err = 1.0E-6,
224 void reportCSV(
const std::string& reportFile);
Headers for the MultiPhase object that is used to set up multiphase equilibrium problems (see Classes...
A class for full (non-sparse) matrices with Fortran-compatible data storage, which adds matrix operat...
A class for multiphase mixtures.
This is the main structure used to hold the internal data used in vcs_solve_TP(), and to solve TP sys...
Cantera's Interface to the Multiphase chemical equilibrium solver.
VCS_SOLVE m_vsolve
The object that contains the problem statement and does all of the equilibration work.
int iterations() const
return the number of iterations
int equilibrate_HP(doublereal Htarget, int XY, double Tlow, double Thigh, int estimateEquil=0, int printLvl=0, doublereal err=1.0E-6, int maxsteps=VCS_MAXSTEPS, int loglevel=-99)
Equilibrate the solution using the current element abundances stored in the MultiPhase object using e...
int m_iter
Iteration Count.
void reportCSV(const std::string &reportFile)
Report the equilibrium answer in a comma separated table format.
vcs_MultiPhaseEquil(MultiPhase *mix, int printLvl)
Constructor for the multiphase equilibrium solver.
int equilibrate_TP(int estimateEquil=0, int printLvl=0, doublereal err=1.0e-6, int maxsteps=VCS_MAXSTEPS, int loglevel=-99)
Equilibrate the solution using the current element abundances stored in the MultiPhase object using c...
vector_int m_species
Vector of indices for species that are included in the calculation.
int equilibrate_SP(doublereal Starget, double Tlow, double Thigh, int estimateEquil=0, int printLvl=0, doublereal err=1.0E-6, int maxsteps=VCS_MAXSTEPS, int loglevel=-99)
Equilibrate the solution using the current element abundances stored in the MultiPhase object using c...
int equilibrate(int XY, int estimateEquil=0, int printLvl=0, doublereal err=1.0e-6, int maxsteps=VCS_MAXSTEPS, int loglevel=-99)
Equilibrate the solution using the current element abundances stored in the MultiPhase object.
vector_int m_order
Vector that takes into account of the current sorting of the species.
DenseMatrix m_N
Stoichiometric matrix.
int m_printLvl
Print level from the VCSnonlinear package.
int equilibrate_TV(int XY, doublereal xtarget, int estimateEquil=0, int printLvl=0, doublereal err=1.0E-6, int maxsteps=VCS_MAXSTEPS, int logLevel=-99)
Equilibrate the solution using the current element abundances stored in the MultiPhase object using c...
MultiPhase * m_mix
Pointer to the MultiPhase mixture that will be equilibrated.
Namespace for the Cantera kernel.
std::vector< int > vector_int
Vector of ints.
#define VCS_MAXSTEPS
Maximum steps in the inner loop.
Header file for the internal object that holds the vcs equilibrium problem (see Class VCS_SOLVE and C...