QCLapack.hpp File Reference

#include "QCCommon.hpp"

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Defines

#define QCLapack(name)   F77_FUNC(name,name)

Functions

void dspevx_ (const char *, const char *, const char *, const int *, const QCFloat *, const QCFloat *, const QCFloat *, const int *, const int *, const QCFloat *, int *, QCFloat *, QCFloat *, const int *, QCFloat *, int *, int *, int *)
void dsyev_ (char *, char *, const int *, QCFloat *, const int *, QCFloat *, QCFloat *, const int *, int *)
void dsyevd_ (const char *, const char *, const int &, QCFloat *, const int &, QCFloat *, QCFloat *, const int &, int *, const int &, int &)
void dsyevx_ (const char *, const char *, const char *, const int &, const QCFloat *, const int &, const QCFloat *, const QCFloat *, const int *, const int *, const QCFloat &, int &, QCFloat *, QCFloat *, const int &, QCFloat *, const int &, int *, int *, int &)


Define Documentation

#define QCLapack name   )     F77_FUNC(name,name)
 

LAPACK function name mangling of the fortran compiler

Definition at line 33 of file QCLapack.hpp.

Referenced by QCLinearPartitioner< TPSystem >::computeInnerReference().


Function Documentation

void dspevx_ const char *  ,
const char *  ,
const char *  ,
const int *  ,
const QCFloat ,
const QCFloat ,
const QCFloat ,
const int *  ,
const int *  ,
const QCFloat ,
int *  ,
QCFloat ,
QCFloat ,
const int *  ,
QCFloat ,
int *  ,
int *  ,
int * 
 

The dspevx subroutine from the Lapack library. It's an expert version and the packed format is used for the storage of the matrix.

void dsyev_ char *  ,
char *  ,
const int *  ,
QCFloat ,
const int *  ,
QCFloat ,
QCFloat ,
const int *  ,
int * 
 

The dsyev subroutine from the Lapack library.

void dsyevd_ const char *  ,
const char *  ,
const int &  ,
QCFloat ,
const int &  ,
QCFloat ,
QCFloat ,
const int &  ,
int *  ,
const int &  ,
int & 
 

The dsyevd subroutine from the Lapack library. It's the Divide and Conquer version. To use it, DC_Diago value for the QCPP DIAGONALISATION ALGORITHM field of the generalities file.

void dsyevx_ const char *  ,
const char *  ,
const char *  ,
const int &  ,
const QCFloat ,
const int &  ,
const QCFloat ,
const QCFloat ,
const int *  ,
const int *  ,
const QCFloat ,
int &  ,
QCFloat ,
QCFloat ,
const int &  ,
QCFloat ,
const int &  ,
int *  ,
int *  ,
int & 
 

The dsyevx subroutine from the Lapack library. It's the expert version. To use it, Classic_Diago value for the QCPP DIAGONALISATION ALGORITHM field of the generalities file.


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