addElement(const char *elNameNew, int elType, int elactive) | VCS_SOLVE | |
addOnePhaseSpecies(vcs_VolPhase *volPhase, size_t k, size_t kT) | VCS_SOLVE | |
addPhaseElements(vcs_VolPhase *volPhase) | VCS_SOLVE | |
check_tmoles() const (defined in VCS_SOLVE) | VCS_SOLVE | |
checkDelta1(double *const ds, double *const delTPhMoles, size_t kspec) (defined in VCS_SOLVE) | VCS_SOLVE | private |
delta_species(const size_t kspec, double *const delta_ptr) | VCS_SOLVE | private |
disableTiming() | VCS_SOLVE | static |
l2normdg(double dg[]) const | VCS_SOLVE | private |
m_actCoeffSpecies_new | VCS_SOLVE | |
m_actCoeffSpecies_old | VCS_SOLVE | |
m_actConventionSpecies | VCS_SOLVE | |
m_aw (defined in VCS_SOLVE) | VCS_SOLVE | private |
m_chargeSpecies | VCS_SOLVE | |
m_debug_print_lvl | VCS_SOLVE | |
m_deltaGRxn_Deficient | VCS_SOLVE | |
m_deltaGRxn_new | VCS_SOLVE | |
m_deltaGRxn_old | VCS_SOLVE | |
m_deltaGRxn_tmp | VCS_SOLVE | |
m_deltaMolNumPhase | VCS_SOLVE | |
m_deltaMolNumSpecies | VCS_SOLVE | |
m_deltaPhaseMoles | VCS_SOLVE | |
m_doEstimateEquil | VCS_SOLVE | |
m_elemAbundances | VCS_SOLVE | |
m_elemAbundancesGoal | VCS_SOLVE | |
m_elementActive | VCS_SOLVE | |
m_elementMapIndex | VCS_SOLVE | |
m_elementName | VCS_SOLVE | |
m_elType | VCS_SOLVE | |
m_Faraday_dim | VCS_SOLVE | |
m_feSpecies_new | VCS_SOLVE | |
m_feSpecies_old | VCS_SOLVE | |
m_formulaMatrix | VCS_SOLVE | |
m_indexRxnToSpecies | VCS_SOLVE | |
m_lnMnaughtSpecies | VCS_SOLVE | |
m_mix (defined in VCS_SOLVE) | VCS_SOLVE | |
m_molNumSpecies_new | VCS_SOLVE | |
m_molNumSpecies_old | VCS_SOLVE | |
m_nelem | VCS_SOLVE | |
m_np_dLnActCoeffdMolNum | VCS_SOLVE | |
m_nsp | VCS_SOLVE | |
m_numComponents | VCS_SOLVE | |
m_numPhases | VCS_SOLVE | |
m_numRxnMinorZeroed | VCS_SOLVE | |
m_numRxnRdc | VCS_SOLVE | |
m_numRxnTot | VCS_SOLVE | |
m_numSpeciesRdc | VCS_SOLVE | |
m_phaseActConvention | VCS_SOLVE | |
m_phaseID | VCS_SOLVE | |
m_phaseParticipation | VCS_SOLVE | |
m_phasePhi | VCS_SOLVE | |
m_PMVolumeSpecies | VCS_SOLVE | |
m_pressurePA | VCS_SOLVE | |
m_printLvl | VCS_SOLVE | |
m_sa (defined in VCS_SOLVE) | VCS_SOLVE | private |
m_scSize | VCS_SOLVE | |
m_sm (defined in VCS_SOLVE) | VCS_SOLVE | private |
m_speciesLocalPhaseIndex | VCS_SOLVE | |
m_speciesMapIndex | VCS_SOLVE | |
m_speciesName | VCS_SOLVE | |
m_speciesStatus | VCS_SOLVE | |
m_speciesThermoList | VCS_SOLVE | |
m_speciesUnknownType | VCS_SOLVE | |
m_spSize | VCS_SOLVE | |
m_ss (defined in VCS_SOLVE) | VCS_SOLVE | private |
m_SSfeSpecies | VCS_SOLVE | |
m_SSPhase | VCS_SOLVE | |
m_stoichCoeffRxnMatrix | VCS_SOLVE | |
m_temperature | VCS_SOLVE | |
m_timing_print_lvl | VCS_SOLVE | |
m_TmpPhase | VCS_SOLVE | mutable |
m_TmpPhase2 | VCS_SOLVE | mutable |
m_tolmaj | VCS_SOLVE | |
m_tolmaj2 | VCS_SOLVE | |
m_tolmin | VCS_SOLVE | |
m_tolmin2 | VCS_SOLVE | |
m_totalMolNum | VCS_SOLVE | |
m_totalVol | VCS_SOLVE | |
m_tPhaseMoles_new | VCS_SOLVE | |
m_tPhaseMoles_old | VCS_SOLVE | |
m_useActCoeffJac | VCS_SOLVE | |
m_VCount | VCS_SOLVE | |
m_VolPhaseList | VCS_SOLVE | |
m_wtSpecies | VCS_SOLVE | |
m_wx (defined in VCS_SOLVE) | VCS_SOLVE | private |
phasePopProblemLists_ (defined in VCS_SOLVE) | VCS_SOLVE | |
prob_report(int print_lvl) | VCS_SOLVE | |
reportCSV(const string &reportFile) (defined in VCS_SOLVE) | VCS_SOLVE | |
solve_tp_component_calc(bool &allMinorZeroedSpecies) (defined in VCS_SOLVE) | VCS_SOLVE | private |
solve_tp_elem_abund_check(size_t &iti, int &stage, bool &lec, bool &giveUpOnElemAbund, int &finalElemAbundAttempts, int &rangeErrorFound) (defined in VCS_SOLVE) | VCS_SOLVE | private |
solve_tp_equilib_check(bool &allMinorZeroedSpecies, bool &uptodate_minors, bool &giveUpOnElemAbund, int &solveFail, size_t &iti, size_t &it1, int maxit, int &stage, bool &lec) (defined in VCS_SOLVE) | VCS_SOLVE | private |
solve_tp_inner(size_t &iti, size_t &it1, bool &uptodate_minors, bool &allMinorZeroedSpecies, int &forceComponentCalc, int &stage, bool printDetails, char *ANOTE) (defined in VCS_SOLVE) | VCS_SOLVE | private |
TPhInertMoles | VCS_SOLVE | |
vcs(int ipr, int ip1, int maxit) | VCS_SOLVE | |
vcs_add_all_deleted() | VCS_SOLVE | private |
vcs_basisOptMax(const double *const molNum, const size_t j, const size_t n) | VCS_SOLVE | |
vcs_basopt(const bool doJustComponents, double aw[], double sa[], double sm[], double ss[], double test, bool *const usedZeroedSpecies) | VCS_SOLVE | |
vcs_CalcLnActCoeffJac(const double *const moleSpeciesVCS) | VCS_SOLVE | |
vcs_counters_init(int ifunc) | VCS_SOLVE | private |
vcs_delete_memory() | VCS_SOLVE | private |
vcs_delete_multiphase(const size_t iph) | VCS_SOLVE | private |
vcs_delete_species(const size_t kspec) | VCS_SOLVE | private |
vcs_deltag(const int L, const bool doDeleted, const int vcsState, const bool alterZeroedPhases=true) | VCS_SOLVE | |
vcs_dfe(const int stateCalc, const int ll, const size_t lbot, const size_t ltop) | VCS_SOLVE | |
vcs_elab() | VCS_SOLVE | |
vcs_elabcheck(int ibound) | VCS_SOLVE | |
vcs_elabPhase(size_t iphase, double *const elemAbundPhase) | VCS_SOLVE | |
vcs_elcorr(double aa[], double x[]) | VCS_SOLVE | |
vcs_elem_rearrange(double *const aw, double *const sa, double *const sm, double *const ss) | VCS_SOLVE | |
vcs_evalSS_TP(int ipr, int ip1, double Temp, double pres) | VCS_SOLVE | |
vcs_evaluate_speciesType() | VCS_SOLVE | |
vcs_fePrep_TP() | VCS_SOLVE | |
vcs_GibbsPhase(size_t iphase, const double *const w, const double *const fe) | VCS_SOLVE | |
vcs_globStepDamp() | VCS_SOLVE | private |
vcs_Hessian_actCoeff_diag(size_t irxn) | VCS_SOLVE | |
vcs_Hessian_diag_adj(size_t irxn, double hessianDiag_Ideal) | VCS_SOLVE | |
vcs_inest(double *const aw, double *const sa, double *const sm, double *const ss, double test) | VCS_SOLVE | private |
vcs_inest_TP() | VCS_SOLVE | |
vcs_minor_alt_calc(size_t kspec, size_t irxn, bool *do_delete, char *ANOTE=0) const | VCS_SOLVE | private |
vcs_phaseStabilitySolve (defined in VCS_SOLVE) | VCS_SOLVE | friend |
vcs_phaseStabilityTest(const size_t iph) | VCS_SOLVE | |
vcs_popPhaseID(vector< size_t > &phasePopPhaseIDs) | VCS_SOLVE | |
vcs_popPhasePossible(const size_t iphasePop) const | VCS_SOLVE | |
vcs_popPhaseRxnStepSizes(const size_t iphasePop) | VCS_SOLVE | |
vcs_prep(int printLvl) | VCS_SOLVE | |
vcs_printDeltaG(const int stateCalc) (defined in VCS_SOLVE) | VCS_SOLVE | |
vcs_prob_specifyFully() | VCS_SOLVE | |
vcs_prob_update() | VCS_SOLVE | |
vcs_recheck_deleted() | VCS_SOLVE | private |
vcs_reinsert_deleted(size_t kspec) | VCS_SOLVE | |
vcs_report(int iconv) | VCS_SOLVE | |
vcs_RxnStepSizes(int &forceComponentCalc, size_t &kSpecial) | VCS_SOLVE | |
vcs_setFlagsVolPhase(const size_t iph, const bool upToDate, const int stateCalc) (defined in VCS_SOLVE) | VCS_SOLVE | private |
vcs_setFlagsVolPhases(const bool upToDate, const int stateCalc) (defined in VCS_SOLVE) | VCS_SOLVE | private |
vcs_setMolesLinProg() | VCS_SOLVE | |
VCS_SOLVE(MultiPhase *mphase, int printLvl=0) | VCS_SOLVE | |
vcs_solve_TP(int print_lvl, int printDetails, int maxit) | VCS_SOLVE | |
vcs_species_type(const size_t kspec) const | VCS_SOLVE | |
vcs_SSPhase() | VCS_SOLVE | private |
vcs_switch_elem_pos(size_t ipos, size_t jpos) | VCS_SOLVE | |
vcs_switch_pos(const bool ifunc, const size_t k1, const size_t k2) | VCS_SOLVE | |
vcs_TCounters_report(int timing_print_lvl=1) | VCS_SOLVE | private |
vcs_tmoles() | VCS_SOLVE | |
vcs_Total_Gibbs(double *w, double *fe, double *tPhMoles) | VCS_SOLVE | |
vcs_TP(int ipr, int ip1, int maxit, double T, double pres) | VCS_SOLVE | |
vcs_updateMolNumVolPhases(const int stateCalc) | VCS_SOLVE | private |
vcs_updateVP(const int stateCalc) | VCS_SOLVE | |
vcs_VolTotal(const double tkelvin, const double pres, const double w[], double volPM[]) | VCS_SOLVE | |
vcs_zero_species(const size_t kspec) | VCS_SOLVE | private |
~VCS_SOLVE() (defined in VCS_SOLVE) | VCS_SOLVE | |