Header definitions for the standard LAPACK library. More...

#include "simple.h"
#include "def_internal.h"

Namespaces
	PLMD

	PLMD::lapack

Macros
#define	_GMX_LAPACK_H_

Functions
void	PLMD::lapack::PLUMED_BLAS_F77_FUNC (dbdsdc, DBDSDC)(const char *uplo

void	PLMD::lapack::PLUMED_BLAS_F77_FUNC (dgetf2, DGETF2)(int *m

void	PLMD::lapack::PLUMED_BLAS_F77_FUNC (dlamrg, DLAMRG)(int *n1

void	PLMD::lapack::PLUMED_BLAS_F77_FUNC (dlarnv, DLARNV)(int *idist

void	PLMD::lapack::PLUMED_BLAS_F77_FUNC (dlasd0, DLASD0)(int *n

void	PLMD::lapack::PLUMED_BLAS_F77_FUNC (dlasda, DLASDA)(int *icompq

void	PLMD::lapack::PLUMED_BLAS_F77_FUNC (dlasq6, DLASQ6)(int *i0

void	PLMD::lapack::PLUMED_BLAS_F77_FUNC (dorgl2, DORGL2)(int *m

void	PLMD::lapack::PLUMED_BLAS_F77_FUNC (dbdsqr, DBDSQR)(const char *uplo

void	PLMD::lapack::PLUMED_BLAS_F77_FUNC (dgetrf, DGETRF)(int *m

void	PLMD::lapack::PLUMED_BLAS_F77_FUNC (dgetri, DGETRI)(int *n

void	PLMD::lapack::PLUMED_BLAS_F77_FUNC (dgetrs, DGETRS)(const char *trans

	PLMD::lapack::PLUMED_BLAS_F77_FUNC (dtrtri, DTRTRI)("Upper"

void	PLMD::lapack::PLUMED_BLAS_F77_FUNC (dtrti2, DTRTI2)(const char *uplo

double	PLMD::lapack::PLUMED_BLAS_F77_FUNC (dlange, DLANGE)(const char *norm

void	PLMD::lapack::PLUMED_BLAS_F77_FUNC (dlarrbx, DLARRBX)(int *n

void	PLMD::lapack::PLUMED_BLAS_F77_FUNC (dlasd1, DLASD1)(int *nl

void	PLMD::lapack::PLUMED_BLAS_F77_FUNC (dlasdq, DLASDQ)(const char *uplo

void	PLMD::lapack::PLUMED_BLAS_F77_FUNC (dlasr, DLASR)(const char *side

void	PLMD::lapack::PLUMED_BLAS_F77_FUNC (dorglq, DORGLQ)(int *m

void	PLMD::lapack::PLUMED_BLAS_F77_FUNC (dormtr, DORMTR)(const char *side

void	PLMD::lapack::PLUMED_BLAS_F77_FUNC (dgebd2, DGEBD2)(int *m

void	PLMD::lapack::PLUMED_BLAS_F77_FUNC (dlabrd, DLABRD)(int *m

double	PLMD::lapack::PLUMED_BLAS_F77_FUNC (dlanst, DLANST)(const char *norm

double	PLMD::lapack::PLUMED_BLAS_F77_FUNC (dlansy, DLANSY)(const char *norm

void	PLMD::lapack::PLUMED_BLAS_F77_FUNC (dlarrex, DLARREX)(const char *range

	PLMD::lapack::PLUMED_BLAS_F77_FUNC (dlasd2, DLASD2)(nl

	PLMD::lapack::PLUMED_BLAS_F77_FUNC (dlasdt, DLASDT)(n

	PLMD::lapack::PLUMED_BLAS_F77_FUNC (dlasrt, DLASRT)("D"

void	PLMD::lapack::PLUMED_BLAS_F77_FUNC (dlasrt2, DLASRT2)(const char *id

void	PLMD::lapack::PLUMED_BLAS_F77_FUNC (ilasrt2, ILASRT2)(const char *id

void	PLMD::lapack::PLUMED_BLAS_F77_FUNC (dorgqr, DORGQR)(int *m

void	PLMD::lapack::PLUMED_BLAS_F77_FUNC (dstebz, DSTEBZ)(const char *range

void	PLMD::lapack::PLUMED_BLAS_F77_FUNC (dsteqr, DSTEQR)(const char *compz

void	PLMD::lapack::PLUMED_BLAS_F77_FUNC (dgebrd, DGEBRD)(int *m

void	PLMD::lapack::PLUMED_BLAS_F77_FUNC (dlacpy, DLACPY)(const char *uplo

double	PLMD::lapack::PLUMED_BLAS_F77_FUNC (dlapy2, DLAPY2)(double *x

void	PLMD::lapack::PLUMED_BLAS_F77_FUNC (dlarrfx, DLARRFX)(int *n

	PLMD::lapack::PLUMED_BLAS_F77_FUNC (dlasd3, DLASD3)(nl

	PLMD::lapack::PLUMED_BLAS_F77_FUNC (dlaset, DLASET)("Full" = rho

	PLMD::lapack::PLUMED_BLAS_F77_FUNC (dlassq, DLASSQ)(n

void	PLMD::lapack::PLUMED_BLAS_F77_FUNC (dorm2l, DORM2L)(const char *side

void	PLMD::lapack::PLUMED_BLAS_F77_FUNC (dstegr, DSTEGR)(const char *jobz

void	PLMD::lapack::PLUMED_BLAS_F77_FUNC (ssteqr, SSTEQR)(const char *compz

void	PLMD::lapack::PLUMED_BLAS_F77_FUNC (dgelq2, DGELQ2)(int *m

void	PLMD::lapack::PLUMED_BLAS_F77_FUNC (dlae2, DLAE2)(double *a

void	PLMD::lapack::PLUMED_BLAS_F77_FUNC (dlaev2, DLAEV2)(double *a

void	PLMD::lapack::PLUMED_BLAS_F77_FUNC (dlar1vx, DLAR1VX)(int *n

void	PLMD::lapack::PLUMED_BLAS_F77_FUNC (dlarrvx, DLARRVX)(int *n

void	PLMD::lapack::PLUMED_BLAS_F77_FUNC (dlasd4, DLASD4)(int *n

void	PLMD::lapack::PLUMED_BLAS_F77_FUNC (dlasq1, DLASQ1)(int *n

void	PLMD::lapack::PLUMED_BLAS_F77_FUNC (dlasv2, DLASV2)(double *f

void	PLMD::lapack::PLUMED_BLAS_F77_FUNC (dorm2r, DORM2R)(const char *side

void	PLMD::lapack::PLUMED_BLAS_F77_FUNC (dstein, DSTEIN)(int *n

void	PLMD::lapack::PLUMED_BLAS_F77_FUNC (dgelqf, DGELQF)(int *m

void	PLMD::lapack::PLUMED_BLAS_F77_FUNC (dlaebz, DLAEBZ)(int *ijob

void	PLMD::lapack::PLUMED_BLAS_F77_FUNC (dlarf, DLARF)(const char *side

void	PLMD::lapack::PLUMED_BLAS_F77_FUNC (dlartg, DLARTG)(double *f

void	PLMD::lapack::PLUMED_BLAS_F77_FUNC (dlasd5, DLASD5)(int *i__

	PLMD::lapack::PLUMED_BLAS_F77_FUNC (dlasq2, DLASQ2)(n

void	PLMD::lapack::PLUMED_BLAS_F77_FUNC (dlasq3, DLASQ3)(int *i0

	PLMD::lapack::PLUMED_BLAS_F77_FUNC (dlaswp, DLASWP)(nrhs

void	PLMD::lapack::PLUMED_BLAS_F77_FUNC (dormbr, DORMBR)(const char *vect

void	PLMD::lapack::PLUMED_BLAS_F77_FUNC (dsterf, DSTERF)(int *n

void	PLMD::lapack::PLUMED_BLAS_F77_FUNC (dgeqr2, DGEQR2)(int *m

void	PLMD::lapack::PLUMED_BLAS_F77_FUNC (dlaed6, DLAED6)(int *kniter

void	PLMD::lapack::PLUMED_BLAS_F77_FUNC (dlarfb, DLARFB)(const char *side

void	PLMD::lapack::PLUMED_BLAS_F77_FUNC (dlaruv, DLARUV)(int *iseed

void	PLMD::lapack::PLUMED_BLAS_F77_FUNC (dlasd6, DLASD6)(int *icompq

void	PLMD::lapack::PLUMED_BLAS_F77_FUNC (dlatrd, DLATRD)(const char *uplo

void	PLMD::lapack::PLUMED_BLAS_F77_FUNC (dorml2, DORML2)(const char *side

void	PLMD::lapack::PLUMED_BLAS_F77_FUNC (dstevr, DSTEVR)(const char *jobz

	PLMD::lapack::PLUMED_BLAS_F77_FUNC (dsytrd, DSYTRD)(uplo

void	PLMD::lapack::PLUMED_BLAS_F77_FUNC (dsyevr, DSYEVR)(const char *jobz

void	PLMD::lapack::PLUMED_BLAS_F77_FUNC (dormql, DORMQL)(const char *side

void	PLMD::lapack::PLUMED_BLAS_F77_FUNC (dormqr, DORMQR)(const char *side

void	PLMD::lapack::PLUMED_BLAS_F77_FUNC (dorgbr, DORGBR)(const char *vect

void	PLMD::lapack::PLUMED_BLAS_F77_FUNC (dlasq5, DLASQ5)(int *i0

	PLMD::lapack::PLUMED_BLAS_F77_FUNC (dlasd8, DLASD8)(icompq

	PLMD::lapack::PLUMED_BLAS_F77_FUNC (dlascl, DLASCL)("G"

void	PLMD::lapack::PLUMED_BLAS_F77_FUNC (dlarft, DLARFT)(const char *direct

void	PLMD::lapack::PLUMED_BLAS_F77_FUNC (dlagts, DLAGTS)(int *job

void	PLMD::lapack::PLUMED_BLAS_F77_FUNC (dgesdd, DGESDD)(const char *jobz

void	PLMD::lapack::PLUMED_BLAS_F77_FUNC (dsytd2, DSYTD2)(const char *uplo

void	PLMD::lapack::PLUMED_BLAS_F77_FUNC (dormlq, DORMLQ)(const char *side

void	PLMD::lapack::PLUMED_BLAS_F77_FUNC (dorg2r, DORG2R)(int *m

void	PLMD::lapack::PLUMED_BLAS_F77_FUNC (dlasq4, DLASQ4)(int *i0

	PLMD::lapack::PLUMED_BLAS_F77_FUNC (dlasd7, DLASD7)(icompq

void	PLMD::lapack::PLUMED_BLAS_F77_FUNC (dlas2, DLAS2)(double *f

void	PLMD::lapack::PLUMED_BLAS_F77_FUNC (dlarfg, DLARFG)(int *n

void	PLMD::lapack::PLUMED_BLAS_F77_FUNC (dlagtf, DLAGTF)(int *n

void	PLMD::lapack::PLUMED_BLAS_F77_FUNC (dgeqrf, DGEQRF)(int *m

void	PLMD::lapack::PLUMED_BLAS_F77_FUNC (sbdsdc, SBDSDC)(const char *uplo

void	PLMD::lapack::PLUMED_BLAS_F77_FUNC (sgetf2, SGETF2)(int *m

void	PLMD::lapack::PLUMED_BLAS_F77_FUNC (slamrg, SLAMRG)(int *n1

void	PLMD::lapack::PLUMED_BLAS_F77_FUNC (slarnv, SLARNV)(int *idist

void	PLMD::lapack::PLUMED_BLAS_F77_FUNC (slasd0, SLASD0)(int *n

void	PLMD::lapack::PLUMED_BLAS_F77_FUNC (slasda, SLASDA)(int *icompq

void	PLMD::lapack::PLUMED_BLAS_F77_FUNC (slasq6, SLASQ6)(int *i0

void	PLMD::lapack::PLUMED_BLAS_F77_FUNC (sorgl2, SORGL2)(int *m

void	PLMD::lapack::PLUMED_BLAS_F77_FUNC (sbdsqr, SBDSQR)(const char *uplo

void	PLMD::lapack::PLUMED_BLAS_F77_FUNC (sgetrf, SGETRF)(int *m

void	PLMD::lapack::PLUMED_BLAS_F77_FUNC (sgetri, SGETRI)(int *n

void	PLMD::lapack::PLUMED_BLAS_F77_FUNC (sgetrs, SGETRS)(const char *trans

	PLMD::lapack::PLUMED_BLAS_F77_FUNC (strtri, STRTRI)("Upper"

void	PLMD::lapack::PLUMED_BLAS_F77_FUNC (strti2, STRTI2)(const char *uplo

float	PLMD::lapack::PLUMED_BLAS_F77_FUNC (slange, SLANGE)(const char *norm

void	PLMD::lapack::PLUMED_BLAS_F77_FUNC (slarrbx, SLARRBX)(int *n

void	PLMD::lapack::PLUMED_BLAS_F77_FUNC (slasd1, SLASD1)(int *nl

void	PLMD::lapack::PLUMED_BLAS_F77_FUNC (slasdq, SLASDQ)(const char *uplo

void	PLMD::lapack::PLUMED_BLAS_F77_FUNC (slasr, SLASR)(const char *side

void	PLMD::lapack::PLUMED_BLAS_F77_FUNC (sorglq, SORGLQ)(int *m

void	PLMD::lapack::PLUMED_BLAS_F77_FUNC (sormtr, SORMTR)(const char *side

void	PLMD::lapack::PLUMED_BLAS_F77_FUNC (sgebd2, SGEBD2)(int *m

void	PLMD::lapack::PLUMED_BLAS_F77_FUNC (slabrd, SLABRD)(int *m

float	PLMD::lapack::PLUMED_BLAS_F77_FUNC (slanst, SLANST)(const char *norm

float	PLMD::lapack::PLUMED_BLAS_F77_FUNC (slansy, SLANSY)(const char *norm

void	PLMD::lapack::PLUMED_BLAS_F77_FUNC (slarrex, SLARREX)(const char *range

	PLMD::lapack::PLUMED_BLAS_F77_FUNC (slasd2, SLASD2)(nl

	PLMD::lapack::PLUMED_BLAS_F77_FUNC (slasdt, SLASDT)(n

	PLMD::lapack::PLUMED_BLAS_F77_FUNC (slasrt, SLASRT)("D"

void	PLMD::lapack::PLUMED_BLAS_F77_FUNC (slasrt2, SLASRT2)(const char *id

void	PLMD::lapack::PLUMED_BLAS_F77_FUNC (sorgqr, SORGQR)(int *m

void	PLMD::lapack::PLUMED_BLAS_F77_FUNC (sstebz, SSTEBZ)(const char *range

void	PLMD::lapack::PLUMED_BLAS_F77_FUNC (sgebrd, SGEBRD)(int *m

void	PLMD::lapack::PLUMED_BLAS_F77_FUNC (slacpy, SLACPY)(const char *uplo

float	PLMD::lapack::PLUMED_BLAS_F77_FUNC (slapy2, SLAPY2)(float *x

void	PLMD::lapack::PLUMED_BLAS_F77_FUNC (slarrfx, SLARRFX)(int *n

	PLMD::lapack::PLUMED_BLAS_F77_FUNC (slasd3, SLASD3)(nl

	PLMD::lapack::PLUMED_BLAS_F77_FUNC (slaset, SLASET)("Full" = rho

	PLMD::lapack::PLUMED_BLAS_F77_FUNC (slassq, SLASSQ)(n

void	PLMD::lapack::PLUMED_BLAS_F77_FUNC (sorm2l, SORM2L)(const char *side

void	PLMD::lapack::PLUMED_BLAS_F77_FUNC (sstegr, SSTEGR)(const char *jobz

void	PLMD::lapack::PLUMED_BLAS_F77_FUNC (sgelq2, SGELQ2)(int *m

void	PLMD::lapack::PLUMED_BLAS_F77_FUNC (slae2, SLAE2)(float *a

void	PLMD::lapack::PLUMED_BLAS_F77_FUNC (slaev2, SLAEV2)(float *a

void	PLMD::lapack::PLUMED_BLAS_F77_FUNC (slar1vx, SLAR1VX)(int *n

void	PLMD::lapack::PLUMED_BLAS_F77_FUNC (slarrvx, SLARRVX)(int *n

void	PLMD::lapack::PLUMED_BLAS_F77_FUNC (slasd4, SLASD4)(int *n

void	PLMD::lapack::PLUMED_BLAS_F77_FUNC (slasq1, SLASQ1)(int *n

void	PLMD::lapack::PLUMED_BLAS_F77_FUNC (slasv2, SLASV2)(float *f

void	PLMD::lapack::PLUMED_BLAS_F77_FUNC (sorm2r, SORM2R)(const char *side

void	PLMD::lapack::PLUMED_BLAS_F77_FUNC (sstein, SSTEIN)(int *n

void	PLMD::lapack::PLUMED_BLAS_F77_FUNC (sgelqf, SGELQF)(int *m

void	PLMD::lapack::PLUMED_BLAS_F77_FUNC (slaebz, SLAEBZ)(int *ijob

void	PLMD::lapack::PLUMED_BLAS_F77_FUNC (slarf, SLARF)(const char *side

void	PLMD::lapack::PLUMED_BLAS_F77_FUNC (slartg, SLARTG)(float *f

void	PLMD::lapack::PLUMED_BLAS_F77_FUNC (slasd5, SLASD5)(int *i__

	PLMD::lapack::PLUMED_BLAS_F77_FUNC (slasq2, SLASQ2)(n

void	PLMD::lapack::PLUMED_BLAS_F77_FUNC (slasq3, SLASQ3)(int *i0

	PLMD::lapack::PLUMED_BLAS_F77_FUNC (slaswp, SLASWP)(nrhs

void	PLMD::lapack::PLUMED_BLAS_F77_FUNC (sormbr, SORMBR)(const char *vect

void	PLMD::lapack::PLUMED_BLAS_F77_FUNC (ssterf, SSTERF)(int *n

void	PLMD::lapack::PLUMED_BLAS_F77_FUNC (sgeqr2, SGEQR2)(int *m

void	PLMD::lapack::PLUMED_BLAS_F77_FUNC (slaed6, SLAED6)(int *kniter

void	PLMD::lapack::PLUMED_BLAS_F77_FUNC (slarfb, SLARFB)(const char *side

void	PLMD::lapack::PLUMED_BLAS_F77_FUNC (slaruv, SLARUV)(int *iseed

void	PLMD::lapack::PLUMED_BLAS_F77_FUNC (slasd6, SLASD6)(int *icompq

void	PLMD::lapack::PLUMED_BLAS_F77_FUNC (slatrd, SLATRD)(const char *uplo

void	PLMD::lapack::PLUMED_BLAS_F77_FUNC (sorml2, SORML2)(const char *side

void	PLMD::lapack::PLUMED_BLAS_F77_FUNC (sstevr, SSTEVR)(const char *jobz

	PLMD::lapack::PLUMED_BLAS_F77_FUNC (ssytrd, SSYTRD)(uplo

void	PLMD::lapack::PLUMED_BLAS_F77_FUNC (ssyevr, SSYEVR)(const char *jobz

void	PLMD::lapack::PLUMED_BLAS_F77_FUNC (sormql, SORMQL)(const char *side

void	PLMD::lapack::PLUMED_BLAS_F77_FUNC (sormqr, SORMQR)(const char *side

void	PLMD::lapack::PLUMED_BLAS_F77_FUNC (sorgbr, SORGBR)(const char *vect

void	PLMD::lapack::PLUMED_BLAS_F77_FUNC (slasq5, SLASQ5)(int *i0

	PLMD::lapack::PLUMED_BLAS_F77_FUNC (slasd8, SLASD8)(icompq

	PLMD::lapack::PLUMED_BLAS_F77_FUNC (slascl, SLASCL)("G"

void	PLMD::lapack::PLUMED_BLAS_F77_FUNC (slarft, SLARFT)(const char *direct

void	PLMD::lapack::PLUMED_BLAS_F77_FUNC (slagts, SLAGTS)(int *job

void	PLMD::lapack::PLUMED_BLAS_F77_FUNC (sgesdd, SGESDD)(const char *jobz

void	PLMD::lapack::PLUMED_BLAS_F77_FUNC (ssytd2, SSYTD2)(const char *uplo

void	PLMD::lapack::PLUMED_BLAS_F77_FUNC (sormlq, SORMLQ)(const char *side

void	PLMD::lapack::PLUMED_BLAS_F77_FUNC (sorg2r, SORG2R)(int *m

void	PLMD::lapack::PLUMED_BLAS_F77_FUNC (slasq4, SLASQ4)(int *i0

	PLMD::lapack::PLUMED_BLAS_F77_FUNC (slasd7, SLASD7)(icompq

void	PLMD::lapack::PLUMED_BLAS_F77_FUNC (slas2, SLAS2)(float *f

void	PLMD::lapack::PLUMED_BLAS_F77_FUNC (slarfg, SLARFG)(int *n

void	PLMD::lapack::PLUMED_BLAS_F77_FUNC (slagtf, SLAGTF)(int *n

void	PLMD::lapack::PLUMED_BLAS_F77_FUNC (sgeqrf, SGEQRF)(int *m

Variables
void int double int double *	PLMD::lapack::dmin

void double double double double double double *	PLMD::lapack::cs2

Detailed Description

Header definitions for the standard LAPACK library.

This is the subset of LAPACK routines used for the linear algebra operations in Gromacs. Most of the execution time will be spent in the BLAS routines, which you hopefully have an optimized version of. Gromacs includes reference implementations of both BLAS and LAPACK so it compiles everywhere, but you should really try to find a vendor or otherwise optimized version at least of BLAS for better performance.

Do NOT use this code for other purposes - we only provide this as a simple fallback/reference implementation when no optimized BLAS is present. If you need an implementation for your own code there are several much faster versions out there.

All routines are compatible with the LAPACK/BLAS reference implementations, meaning they assume fortran-style matrix row/column organization.

There is plenty of documentation for these routines available at http://www.netlib.org/lapack , so there is no point in repeating it here.

Macro Definition Documentation

◆ _GMX_LAPACK_H_

#define _GMX_LAPACK_H_

Namespaces

Macros

Functions

Variables

Detailed Description

Macro Definition Documentation

◆ _GMX_LAPACK_H_