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cloudy trunk
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#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.
Macros | |
| #define | ABSLIM 1e-12 |
| #define | ERRLIM 1e-12 |
| #define | MAT(a, I_, 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_ ) |
Definition at line 20 of file newton_step.cpp.
Referenced by newton_step().
| anonymous enum |
| Enumerator | |
|---|---|
| PRINTSOL | |
Definition at line 26 of file newton_step.cpp.
| void mole_print_species_reactions | ( | molecule * | speciesToPrint | ) |
Definition at line 316 of file newton_step.cpp.
References mole_reaction::index, molecule::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, and mole_reaction::rvector.
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 364 of file newton_step.cpp.
References groupspecies, ioQQQ, mole_print_species_reactions(), and STATIC.
Referenced by newton_step().

| bool newton_step | ( | GroupMap & | mole_map, |
| const valarray< double > & | oldmols, | ||
| valarray< double > & | newmols, | ||
| realnum * | eqerror, | ||
| realnum * | error, | ||
| const long | n, | ||
| double * | rlimit, | ||
| double * | rmax, | ||
| valarray< double > & | escale, | ||
| void(* | jacobn )(GroupMap &mole_map, const valarray< double > &b2vec, double *const ervals, double *const amat, const bool lgJac, bool *lgConserved) ) |
Take one Newton step
| *nBad | |
| *error |
Definition at line 30 of file newton_step.cpp.
References amat, conv, DEBUG_ENTRY, e2(), get_ptr(), groupspecies, ioQQQ, 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 387 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().
