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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