lapack.h File Reference

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

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

Namespaces
	PLMD
	PLMD::lapack

Macros
#define	_GMX_LAPACK_H_
#define	__PLUMED_LAPACK_RETURNS_FLOAT   float

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

__PLUMED_LAPACK_RETURNS_FLOAT

#define __PLUMED_LAPACK_RETURNS_FLOAT   float

_GMX_LAPACK_H_

#define _GMX_LAPACK_H_