Psi4
Public Member Functions | Private Attributes | List of all members
psi::FrozenCoreAndFockRestrictedFunctor Class Reference

#include <integraltransform_functors.h>

Public Member Functions

 FrozenCoreAndFockRestrictedFunctor (const double *D, const double *FzD, double *F, double *Fz)
 
void operator() (int pabs, int qabs, int rabs, int sabs, int psym, int prel, int qsym, int qrel, int rsym, int rrel, int ssym, int srel, double value)
 

Private Attributes

const double * D_
 The density matrix (stored as a lower triangular array) More...
 
const double * FzD_
 The frozen core density matrix (stored as a lower triangular array) More...
 
double * F_
 The Fock matrix (stored as a lower triangular array) More...
 
double * Fz_
 The frozen core operator (stored as a lower triangular array) More...
 
int al [8]
 Some temporary arrays for handling permutations. More...
 
int bl [8]
 
int cl [8]
 
int dl [8]
 
int dum
 
int found
 

Constructor & Destructor Documentation

psi::FrozenCoreAndFockRestrictedFunctor::FrozenCoreAndFockRestrictedFunctor ( const double *  D,
const double *  FzD,
double *  F,
double *  Fz 
)
inline

Member Function Documentation

void psi::FrozenCoreAndFockRestrictedFunctor::operator() ( int  pabs,
int  qabs,
int  rabs,
int  sabs,
int  psym,
int  prel,
int  qsym,
int  qrel,
int  rsym,
int  rrel,
int  ssym,
int  srel,
double  value 
)
inline

Member Data Documentation

int psi::FrozenCoreAndFockRestrictedFunctor::al[8]
private

Some temporary arrays for handling permutations.

int psi::FrozenCoreAndFockRestrictedFunctor::bl[8]
private
int psi::FrozenCoreAndFockRestrictedFunctor::cl[8]
private
const double* psi::FrozenCoreAndFockRestrictedFunctor::D_
private

The density matrix (stored as a lower triangular array)

int psi::FrozenCoreAndFockRestrictedFunctor::dl[8]
private
int psi::FrozenCoreAndFockRestrictedFunctor::dum
private
double* psi::FrozenCoreAndFockRestrictedFunctor::F_
private

The Fock matrix (stored as a lower triangular array)

int psi::FrozenCoreAndFockRestrictedFunctor::found
private
double* psi::FrozenCoreAndFockRestrictedFunctor::Fz_
private

The frozen core operator (stored as a lower triangular array)

const double* psi::FrozenCoreAndFockRestrictedFunctor::FzD_
private

The frozen core density matrix (stored as a lower triangular array)


The documentation for this class was generated from the following file: