#include "cddefines.h"
#include "newton_step.h"
#include "conv.h"
#include "thirdparty.h"
#include "mole.h"
#include "mole_priv.h"
Go to the source code of this file.
Defines | |
#define | ABSLIM 1e-12 |
#define | ERRLIM 1e-12 |
#define | MAT(a, I_, J_) ((a)[(I_)*(n)+(J_)]) |
Enumerations | |
enum | { PRINTSOL = false } |
Functions | |
STATIC void | mole_system_error (long n, long merror, const valarray< double > &a, const valarray< double > &b) |
bool | newton_step (GroupMap &MoleMap, const valarray< double > &b0vec, valarray< double > &b2vec, realnum *eqerror, realnum *error, const long n, double *rlimit, double *rmax, valarray< double > &escale, void(*jacobn)(GroupMap &MoleMap, const valarray< double > &b2vec, double *const ervals, double *const amat, const bool lgJac, bool *lgConserve)) |
void | mole_print_species_reactions (molecule *speciesToPrint) |
int32 | solve_system (const valarray< double > &a, valarray< double > &b, long int n, error_print_t error_print) |
#define ABSLIM 1e-12 |
Definition at line 15 of file newton_step.cpp.
#define ERRLIM 1e-12 |
Definition at line 16 of file newton_step.cpp.
#define MAT | ( | a, | |||
I_, | |||||
J_ | ) | ((a)[(I_)*(n)+(J_)]) |
Definition at line 20 of file newton_step.cpp.
anonymous enum |
Definition at line 26 of file newton_step.cpp.
void mole_print_species_reactions | ( | molecule * | speciesToPrint | ) |
Definition at line 293 of file newton_step.cpp.
References molecule::index, mole_reaction::index, ioQQQ, mole_reaction::label, molecule::label, mole, mole_reaction::nproducts, mole_reaction::nreactants, mole_reaction::products, mole_reaction::pvector, mole_priv::reactab, mole_reaction::reactants, t_mole_local::reaction_rks, mole_reaction::rvector, and t_mole_local::species.
Referenced by lgElemsConserved(), and mole_system_error().
STATIC void mole_system_error | ( | long | n, | |
long | merror, | |||
const valarray< double > & | a, | |||
const valarray< double > & | b | |||
) |
Definition at line 341 of file newton_step.cpp.
References groupspecies, ioQQQ, and mole_print_species_reactions().
Referenced by newton_step().
bool newton_step | ( | GroupMap & | MoleMap, | |
const valarray< double > & | b0vec, | |||
valarray< double > & | b2vec, | |||
realnum * | eqerror, | |||
realnum * | error, | |||
const long | n, | |||
double * | rlimit, | |||
double * | rmax, | |||
valarray< double > & | escale, | |||
void(*)(GroupMap &MoleMap, const valarray< double > &b2vec, double *const ervals, double *const amat, const bool lgJac, bool *lgConserve) | jacobn | |||
) |
Definition at line 30 of file newton_step.cpp.
References amat, conv, DEBUG_ENTRY, e2(), get_ptr(), groupspecies, t_conv::incrementCounter(), ioQQQ, molecule::label, MAT, MIN2, mole_system_error(), NEWTON, NEWTON_LOOP, SMALLABUND, and solve_system().
Referenced by mole_solve().
int32 solve_system | ( | const valarray< double > & | a, | |
valarray< double > & | b, | |||
long int | n, | |||
error_print_t | error_print | |||
) |
Definition at line 364 of file newton_step.cpp.
References ASSERT, DEBUG_ENTRY, get_ptr(), getrf_wrapper(), getrs_wrapper(), and ioQQQ.
Referenced by atom_levelN(), find_solution(), and newton_step().