#include "mole.h"
#include "mole_priv.h"
Go to the source code of this file.
Typedefs | |
typedef void(* | error_print_t )(long, long, const valarray< double > &, const valarray< double > &) |
Functions | |
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)) |
int32 | solve_system (const valarray< double > &a, valarray< double > &b, long int n, error_print_t error_print) |
typedef void(* error_print_t)(long, long, const valarray< double > &, const valarray< double > &) |
Definition at line 23 of file newton_step.h.
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(*)(GroupMap &mole_map, const valarray< double > &b2vec, double *const ervals, double *const amat, const bool lgJac, bool *lgConserved) | jacobn | |||
) |
Take one Newton step
*nBad | ||
*error |
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().