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newton_step.h File Reference
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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 Documentation

typedef void(* error_print_t)(long, long, const valarray< double > &, const valarray< double > &)

Definition at line 22 of file newton_step.h.

Function Documentation

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
Parameters
*nBad
*error
int32 solve_system ( const valarray< double > &  a,
valarray< double > &  b,
long int  n,
error_print_t  error_print 
)

Definition at line 346 of file newton_step.cpp.

References ASSERT, DEBUG_ENTRY, fprintf(), get_ptr(), getrf_wrapper(), getrs_wrapper(), and ioQQQ.

Referenced by find_solution(), newton_step(), and Atom_LevelN::operator()().

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