Functions
void	F_DGEMV (char trans, integer m, integer n, doublereal alpha, doublereal A, integer lda, doublereal X, integer incx, doublereal beta, doublereal *Y, integer incy)

void	F_DGEMM (char transa, char transb, integer m, integer n, integer k, doublereal alpha, doublereal A, integer lda, doublereal B, integer ldb, doublereal beta, doublereal *C, integer ldc)

void	dgemv (char &trans, integer &m, integer &n, doublereal &alpha, doublereal A, integer &lda, doublereal X, integer &incx, doublereal &beta, doublereal *Y, integer &incy)

void	DGEMV (char &trans, integer &m, integer &n, doublereal &alpha, doublereal A, integer &lda, doublereal X, integer &incx, doublereal &beta, doublereal *Y, integer &incy)

void	dgemm (char &transa, char &transb, integer &m, integer &n, integer &k, doublereal &alpha, doublereal A, integer &lda, doublereal B, integer &ldb, doublereal &beta, doublereal *C, integer &ldc)

void	DGEMM (char &transa, char &transb, integer &m, integer &n, integer &k, doublereal &alpha, doublereal A, integer &lda, doublereal B, integer &ldb, doublereal &beta, doublereal *C, integer &ldc)

void	dcopy (integer &n, doublereal dx, integer &incx, doublereal dy, integer &incy)

void	DCOPY (integer &n, doublereal dx, integer &incx, doublereal dy, integer &incy)

double	dnrm2 (integer &N, doublereal *X, integer &INCX)

double	DNRM2 (integer &N, doublereal *X, integer &INCX)

void	dgesv (integer &N, integer &NRHS, doublereal A, integer &LDA, integer IPIV, doublereal *B, integer &LDB, integer &INFO)

void	DGESV (integer &N, integer &NRHS, doublereal A, integer &LDA, integer IPIV, doublereal *B, integer &LDB, integer &INFO)

double	ddot (integer &n, doublereal dx, integer &incx, doublereal dy, integer &incy)

double	DDOT (integer &n, doublereal dx, integer &incx, doublereal dy, integer &incy)

void	Diagonalize (integer N, doublereal A, doublereal W)

void	dsyev (char &JOBZ, char &UPLO, integer &N, doublereal A, integer &LDA, doublereal W, doublereal *WORK, integer &LWORK, integer &INFO)

void	DSYEV (char &JOBZ, char &UPLO, integer &N, doublereal A, integer &LDA, doublereal W, doublereal *WORK, integer &LWORK, integer &INFO)

void	Diagonalize2 (integer N, doublereal AP, doublereal W, doublereal *Z)

void	dspev (char &JOBZ, char &UPLO, integer &N, doublereal AP, doublereal W, doublereal Z, integer &LDZ, doublereal WORK, integer &INFO)

void	DSPEV (char &JOBZ, char &UPLO, integer &N, doublereal AP, doublereal W, doublereal Z, integer &LDZ, doublereal WORK, integer &INFO)

void	SVD (integer M, integer N, doublereal A, doublereal U, doublereal VT, doublereal S)

void	dgesvd (char &JOBU, char &JOBVT, integer &M, integer &N, doublereal A, integer &LDA, doublereal S, doublereal U, integer &LDU, doublereal VT, integer &LDVT, doublereal *WORK, integer &LWORK, integer &INFO)

void	DGESVD (char &JOBU, char &JOBVT, integer &M, integer &N, doublereal A, integer &LDA, doublereal S, doublereal U, integer &LDU, doublereal VT, integer &LDVT, doublereal *WORK, integer &LWORK, integer &INFO)

Function Documentation

void psi::fnocc::dcopy	(	integer &	n,
		doublereal *	dx,
		integer &	incx,
		doublereal *	dy,
		integer &	incy
	)

name mangling dcopy

void psi::fnocc::DCOPY	(	integer &	n,
		doublereal *	dx,
		integer &	incx,
		doublereal *	dy,
		integer &	incy
	)

inline

double psi::fnocc::ddot	(	integer &	n,
		doublereal *	dx,
		integer &	incx,
		doublereal *	dy,
		integer &	incy
	)

name mangling ddot

double psi::fnocc::DDOT	(	integer &	n,
		doublereal *	dx,
		integer &	incx,
		doublereal *	dy,
		integer &	incy
	)

inline

void psi::fnocc::dgemm	(	char &	transa,
		char &	transb,
		integer &	m,
		integer &	n,
		integer &	k,
		doublereal &	alpha,
		doublereal *	A,
		integer &	lda,
		doublereal *	B,
		integer &	ldb,
		doublereal &	beta,
		doublereal *	C,
		integer &	ldc
	)

name mangling for fortran-ordered dgemm

void psi::fnocc::DGEMM	(	char &	transa,
		char &	transb,
		integer &	m,
		integer &	n,
		integer &	k,
		doublereal &	alpha,
		doublereal *	A,
		integer &	lda,
		doublereal *	B,
		integer &	ldb,
		doublereal &	beta,
		doublereal *	C,
		integer &	ldc
	)

inline

void psi::fnocc::dgemv	(	char &	trans,
		integer &	m,
		integer &	n,
		doublereal &	alpha,
		doublereal *	A,
		integer &	lda,
		doublereal *	X,
		integer &	incx,
		doublereal &	beta,
		doublereal *	Y,
		integer &	incy
	)

name mangling for fortran-ordered dgemv

void psi::fnocc::DGEMV	(	char &	trans,
		integer &	m,
		integer &	n,
		doublereal &	alpha,
		doublereal *	A,
		integer &	lda,
		doublereal *	X,
		integer &	incx,
		doublereal &	beta,
		doublereal *	Y,
		integer &	incy
	)

inline

void psi::fnocc::dgesv	(	integer &	N,
		integer &	NRHS,
		doublereal *	A,
		integer &	LDA,
		integer *	IPIV,
		doublereal *	B,
		integer &	LDB,
		integer &	INFO
	)

name mangling dgesv

void psi::fnocc::DGESV	(	integer &	N,
		integer &	NRHS,
		doublereal *	A,
		integer &	LDA,
		integer *	IPIV,
		doublereal *	B,
		integer &	LDB,
		integer &	INFO
	)

inline

void psi::fnocc::dgesvd	(	char &	JOBU,
		char &	JOBVT,
		integer &	M,
		integer &	N,
		doublereal *	A,
		integer &	LDA,
		doublereal *	S,
		doublereal *	U,
		integer &	LDU,
		doublereal *	VT,
		integer &	LDVT,
		doublereal *	WORK,
		integer &	LWORK,
		integer &	INFO
	)

name mangling dgesvd

void psi::fnocc::DGESVD	(	char &	JOBU,
		char &	JOBVT,
		integer &	M,
		integer &	N,
		doublereal *	A,
		integer &	LDA,
		doublereal *	S,
		doublereal *	U,
		integer &	LDU,
		doublereal *	VT,
		integer &	LDVT,
		doublereal *	WORK,
		integer &	LWORK,
		integer &	INFO
	)

inline

void psi::fnocc::Diagonalize	(	integer	N,
		doublereal *	A,
		doublereal *	W
	)

diagonalize a real symmetric matrix

void psi::fnocc::Diagonalize2	(	integer	N,
		doublereal *	AP,
		doublereal *	W,
		doublereal *	Z
	)

diagonalize a real symmetric packed matrix

double psi::fnocc::dnrm2	(	integer &	N,
		doublereal *	X,
		integer &	INCX
	)

name mangling dnrm2

double psi::fnocc::DNRM2	(	integer &	N,
		doublereal *	X,
		integer &	INCX
	)

inline

void psi::fnocc::dspev	(	char &	JOBZ,
		char &	UPLO,
		integer &	N,
		doublereal *	AP,
		doublereal *	W,
		doublereal *	Z,
		integer &	LDZ,
		doublereal *	WORK,
		integer &	INFO
	)

name mangling dspev

void psi::fnocc::DSPEV	(	char &	JOBZ,
		char &	UPLO,
		integer &	N,
		doublereal *	AP,
		doublereal *	W,
		doublereal *	Z,
		integer &	LDZ,
		doublereal *	WORK,
		integer &	INFO
	)

inline

void psi::fnocc::dsyev	(	char &	JOBZ,
		char &	UPLO,
		integer &	N,
		doublereal *	A,
		integer &	LDA,
		doublereal *	W,
		doublereal *	WORK,
		integer &	LWORK,
		integer &	INFO
	)

name mangling dsyev

void psi::fnocc::DSYEV	(	char &	JOBZ,
		char &	UPLO,
		integer &	N,
		doublereal *	A,
		integer &	LDA,
		doublereal *	W,
		doublereal *	WORK,
		integer &	LWORK,
		integer &	INFO
	)

inline

void psi::fnocc::F_DGEMM	(	char	transa,
		char	transb,
		integer	m,
		integer	n,
		integer	k,
		doublereal	alpha,
		doublereal *	A,
		integer	lda,
		doublereal *	B,
		integer	ldb,
		doublereal	beta,
		doublereal *	C,
		integer	ldc
	)

fortran-ordered dgemm

void psi::fnocc::F_DGEMV	(	char	trans,
		integer	m,
		integer	n,
		doublereal	alpha,
		doublereal *	A,
		integer	lda,
		doublereal *	X,
		integer	incx,
		doublereal	beta,
		doublereal *	Y,
		integer	incy
	)

fortran-ordered dgemv

void psi::fnocc::SVD	(	integer	M,
		integer	N,
		doublereal *	A,
		doublereal *	U,
		doublereal *	VT,
		doublereal *	S
	)

General SVD

Functions

Function Documentation