11 #ifndef CT_CHEM_EQUIL_H
12 #define CT_CHEM_EQUIL_H
22 #include "MultiPhaseEquil.h"
116 bool useThermoPhaseElementPotentials =
false,
int loglevel = 0);
118 bool useThermoPhaseElementPotentials =
false,
int loglevel = 0);
119 const vector_fp& elementPotentials()
const {
143 doublereal
nAtoms(
size_t k,
size_t m)
const {
144 return m_comp[k*m_mm + m];
155 vector_fp& elMolesGoal,
int loglevel = 0);
161 double& f,
vector_fp& elmols,
double xval,
double yval);
165 double xval,
double yval,
int loglevel = 0);
169 double xval,
double yval,
int loglevel = 0);
176 const double& n_t,
const vector_fp& Xmol_i_calc,
178 double pressureConst);
190 std::auto_ptr<PropertyCalculator<thermo_t> > m_p1, m_p2;
207 doublereal m_elementTotalSum;
221 doublereal m_temp, m_dens;
239 std::vector<size_t> m_component;
245 double m_elemFracCutoff;
249 std::vector<size_t> m_orderVectorElements;
250 std::vector<size_t> m_orderVectorSpecies;
255 extern int ChemEquil_print_lvl;