/export/zimmerman/mjafari/ners590-project/fresh-copy/molecularGSM/GSM/utils.cpp File Reference

#include "icoord.h"
#include "utils.h"
#include "omp.h"
#include <mkl.h>

Include dependency graph for utils.cpp:

Defines
#define	USE_ACML   0
#define	DSYEVX   1
Functions
void	trans (double *Bt, double *B, int m, int n)
int	close_val (double x1, double x2, double diff)
int	check_array (int size, double *A)
int	mat_times_mat (double *C, double *A, double *B, int M, int N, int K)
int	mat_times_mat_bt (double *C, double *A, double *B, int M, int N, int K)
int	mat_times_mat (double *C, double *A, double *B, int size)
int	mat_times_mat_bt (double *C, double *A, double *B, int size)
int	mat_times_mat_at_bt (double *C, double *A, double *B, int size)
int	mat_root (double *A, int size)
int	mat_root_inv (double *A, int size)
int	SVD (double *A, double *V, double *eigen, int m, int n)
int	Invert (double *A, int m)
int	Diagonalize (double *A, double *eigen, int size)
int	Diagonalize (double *A, double *eigenvecs, double *eigen, int size)
int	sign (double x)
void	cross (double *m, double *r1, double *r2)

---

Define Documentation

#define DSYEVX   1

#define USE_ACML   0

---

Function Documentation

int check_array	(	int	size,
		double *	A
	)

int close_val	(	double	x1,
		double	x2,
		double	diff
	)

void cross	(	double *	m,
		double *	r1,
		double *	r2
	)

int Diagonalize	(	double *	A,
		double *	eigenvecs,
		double *	eigen,
		int	size
	)

int Diagonalize	(	double *	A,
		double *	eigen,
		int	size
	)

int Invert	(	double *	A,
		int	m
	)

int mat_root	(	double *	A,
		int	size
	)

int mat_root_inv	(	double *	A,
		int	size
	)

int mat_times_mat	(	double *	C,
		double *	A,
		double *	B,
		int	size
	)

int mat_times_mat	(	double *	C,
		double *	A,
		double *	B,
		int	M,
		int	N,
		int	K
	)

int mat_times_mat_at_bt	(	double *	C,
		double *	A,
		double *	B,
		int	size
	)

int mat_times_mat_bt	(	double *	C,
		double *	A,
		double *	B,
		int	size
	)

int mat_times_mat_bt	(	double *	C,
		double *	A,
		double *	B,
		int	M,
		int	N,
		int	K
	)

int sign

(

double

x

)

int SVD	(	double *	A,
		double *	V,
		double *	eigen,
		int	m,
		int	n
	)

void trans	(	double *	Bt,
		double *	B,
		int	m,
		int	n
	)