Gems3k
3.1
GEMS3K standalone solver for geochemical equilibria
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addErrorMessage(const char *msg) (defined in TMulti) | TMulti | [protected] |
Alloc_internal() | TMulti | |
Alloc_TSolMod(long int newFIs) | TMulti | [protected] |
Alloc_uDD(long int newN) | TMulti | [protected] |
AutoInitialApproximation() | TMulti | [protected] |
bfc_mass(void) | TMulti | [protected] |
CalculateActivityCoefficients(long int LinkMode) | TMulti | [protected] |
CalculateConcentrations(double X[], double XF[], double XFA[]) | TMulti | [protected] |
CalculateConcentrationsInPhase(double X[], double XF[], double XFA[], double Factor, double MMC, double Dsur, long int jb, long int je, long int k) | TMulti | [protected] |
CalculateEquilibriumState(long int typeMin, long int &NumIterFIA, long int &NumIterIPM) | TMulti | |
Check_uDD(long int mode, double DivTol, bool trace=false) | TMulti | [protected] |
CheckMassBalanceResiduals(double *Y) | TMulti | |
CheckMtparam() | TMulti | |
cnr | TMulti | [protected] |
ConvertDCC() | TMulti | [protected] |
ConvertGj_toUniformStandardState(double g0, long int j, long int k) | TMulti | |
DC_DualChemicalPotential(double U[], double AL[], long int N, long int j) | TMulti | [protected] |
DC_GibbsEnergyContribution(double G, double x, double logXF, double logXw, char DCCW) | TMulti | [protected] |
DC_LoadThermodynamicData(TNode *aNa=0) | TMulti | |
DC_PrimalChemicalPotential(double G, double logY, double logYF, double asTail, double logYw, char DCCW) | TMulti | [protected] |
DC_PrimalChemicalPotentialUpdate(long int j, long int k) | TMulti | [protected] |
DC_RaiseZeroedOff(long int jStart, long int jEnd, long int k=-1L) | TMulti | [protected] |
DC_ZeroOff(long int jStart, long int jEnd, long int k=-1L) | TMulti | [protected] |
DikinsCriterion(long int N, bool initAppr) | TMulti | [protected] |
FIN(double EPS, long int M, long int N, long int STR[], long int NMB[], long int BASE[], double UND[], double UP[], double U[], double AA[], double *A, double Q[], long int *ITER) | TMulti | [protected] |
Free_TSolMod() (defined in TMulti) | TMulti | [protected] |
Free_uDD() (defined in TMulti) | TMulti | [protected] |
from_file(GemDataStream &ff) | TMulti | |
from_text_file_gemipm(const char *path, DATACH *dCH) | TMulti | |
GasParcP() | TMulti | [protected] |
GEM_IPM(long int rLoop) | TMulti | [protected] |
GEM_IPM_Init() | TMulti | [protected] |
GEM_IPM_InitialApproximation() | TMulti | [protected] |
getLsMdcsum(long int &LsMdcSum, long int &LsMsnSum, long int &LsSitSum) (defined in TMulti) | TMulti | [protected] |
getLsModsum(long int &LsModSum, long int &LsIPxSum) (defined in TMulti) | TMulti | [protected] |
GetName() const (defined in TMulti) | TMulti | [inline] |
GetPM() (defined in TMulti) | TMulti | [inline] |
getXvolume() | TMulti | [protected] |
GibbsEnergyMinimization() | TMulti | [protected] |
GouyChapman(long int jb, long int je, long int k) | TMulti | [protected] |
GX(double LM) | TMulti | [protected] |
HelmholtzEnergy(double x) | TMulti | |
ICNud | TMulti | [protected] |
Increment_uDD(long int r, bool trace=false) | TMulti | [protected] |
InitalizeGEM_IPM_Data() | TMulti | |
InteriorPointsMethod(long int &status, long int rLoop) | TMulti | [protected] |
InternalEnergy(double TC, double P) | TMulti | |
IS_EtaCalc() | TMulti | [protected] |
KarpovCriterionDC(double *dNuG, double logYF, double asTail, double logYw, double Wx, char DCCW) | TMulti | [protected] |
KarpovsPhaseStabilityCriteria() | TMulti | [protected] |
MakeAndSolveSystemOfLinearEquations(long int N, bool initAppr) | TMulti | [protected] |
MassBalanceRefinement(long int WhereCalledFrom) | TMulti | [protected] |
MassBalanceResiduals(long int N, long int L, double *A, double *Y, double *B, double *C) | TMulti | [protected] |
MetastabilityLagrangeMultiplier() | TMulti | [protected] |
multi_free() | TMulti | |
multi_realloc(char PAalp, char PSigm) | TMulti | |
MultiConstInit() | TMulti | [protected] |
nCNud | TMulti | [protected] |
NEW(long int *OPT, long int N, long int M, double EPS, double *LEVEL, long int *J0, long int *Z, long int STR[], long int NMB[], double UP[], double AA[], double *A) | TMulti | [protected] |
nNu | TMulti | [protected] |
node (defined in TMulti) | TMulti | |
OptimizeStepSize(double LM) | TMulti | [protected] |
PAalp_ | TMulti | [protected] |
phase_bcs(long int N, long int M, long int jb, double *A, double X[], double BF[]) | TMulti | [protected] |
phase_bfc(long int k, long int jj) | TMulti | [protected] |
PhaseSelect(long int &k_miss, long int &k_unst, long int rLoop) | TMulti | [protected] |
PhaseSelectionSpeciationCleanup(long int &k_miss, long int &k_unst, long int rLoop) | TMulti | [protected] |
PhaseSpecificGamma(long int j, long int jb, long int je, long int k, long int DirFlag=0L) | TMulti | |
phSolMod | TMulti | [protected] |
pm_GC_ods_link(long int k, long int jb, long int jpb, long int jdb, long int ipb) | TMulti | [protected] |
PrimalChemicalPotentials(double F[], double Y[], double YF[], double YFA[]) | TMulti | [protected] |
PSigm_ | TMulti | [protected] |
RaiseDC_Value(const long int j) | TMulti | [protected] |
RescaleSystemFromInternal(double ScFact) | TMulti | [protected] |
RescaleToSize(bool standard_size) | TMulti | [protected] |
Reset_uDD(long int cr, bool trace=false) | TMulti | [protected] |
Restore_Y_YF_Vectors() | TMulti | [protected] |
ScaleSystemToInternal(double ScFact) | TMulti | [protected] |
Set_DC_limits(long int Mode) | TMulti | [protected] |
set_def(long int i=0) | TMulti | |
setErrorMessage(long int num, const char *code, const char *msg) (defined in TMulti) | TMulti | [protected] |
setPa(TProfil *prof) (defined in TMulti) | TMulti | |
SetSmoothingFactor(long int mode) | TMulti | [protected] |
sizeFIs | TMulti | [protected] |
SmoothingFactor() | TMulti | [protected] |
SolModActCoeff(long int k, char ModCode) | TMulti | [protected] |
SolModCreate(long int jb, long int jmb, long int jsb, long int jpb, long int jdb, long int k, long int ipb, char ModCode, char MixCode) | TMulti | [protected] |
SolModDarkenProp(long int jb, long int k, char ModCode) | TMulti | [protected] |
SolModExcessProp(long int k, char ModCode) | TMulti | [protected] |
SolModIdealProp(long int jb, long int k, char ModCode) | TMulti | [protected] |
SolModParPT(long int k, char ModCode) | TMulti | [protected] |
SolModStandProp(long int jb, long int k, char ModCode) | TMulti | [protected] |
SolveSimplex(long int M, long int N, long int T, double GZ, double EPS, double *UND, double *UP, double *B, double *U, double *AA, long int *STR, long int *NMB) | TMulti | [protected] |
SpeciationCleanup(double AmountThreshold, double ChemPotDiffCutoff) | TMulti | [protected] |
SPOS(double *P, long int STR[], long int NMB[], long int J, long int M, double AA[]) | TMulti | [protected] |
StabilityIndexes() | TMulti | [protected] |
START(long int T, long int *ITER, long int M, long int N, long int NMB[], double GZ, double EPS, long int STR[], long int *BASE, double B[], double UND[], double UP[], double AA[], double *A, double *Q) | TMulti | [protected] |
StepSizeEstimate(bool initAppr) | TMulti | [protected] |
SurfaceActivityCoeff(long int jb, long int je, long int jpb, long int jdb, long int k) | TMulti | [protected] |
SystemTotalMolesIC() | TMulti | [protected] |
testMulti() | TMulti | |
TMulti(TNode *na_) | TMulti | [inline] |
to_file(GemDataStream &ff) | TMulti | |
to_text_file(const char *path, bool append=false) | TMulti | |
to_text_file_gemipm(const char *path, bool addMui, bool with_comments=true, bool brief_mode=false) | TMulti | |
TotalPhasesAmounts(double X[], double XF[], double XFA[]) | TMulti | [protected] |
U_CV | TMulti | [protected] |
U_CVo | TMulti | [protected] |
U_M2 | TMulti | [protected] |
U_mean | TMulti | [protected] |
WeightMultipliers(bool square) | TMulti | [protected] |
WORK(double GZ, double EPS, long int *I0, long int *J0, long int *Z, long int *ITER, long int M, long int STR[], long int NMB[], double AA[], long int BASE[], long int *UNO, double UP[], double *A, double Q[]) | TMulti | [protected] |
XmaxSAT_IPM2() | TMulti | [protected] |
~TMulti() (defined in TMulti) | TMulti | [inline] |