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

Public Member Functions

 CorrelatedFunctor ()
 
 CorrelatedFunctor (SharedVector results)
 
void finalize ()
 
void load_tpdm (size_t id)
 
void next_tpdm_element ()
 
void operator() (int salc, int pabs, int qabs, int rabs, int sabs, int, int, int, int, int, int, int, int, double value)
 

Public Attributes

int nthread
 
std::vector< SharedVectorresult
 

Private Attributes

double * tpdm_buffer_
 The buffer to hold the TPDM. More...
 
double * tpdm_ptr_
 Pointer to the current TPDM element. More...
 
size_t * buffer_sizes_
 How large the buffer is, for each shell pair. More...
 
std::shared_ptr< PSIOpsio_
 The PSIO object to use for disk I/O. More...
 

Constructor & Destructor Documentation

psi::CorrelatedFunctor::CorrelatedFunctor ( )
inline
psi::CorrelatedFunctor::CorrelatedFunctor ( SharedVector  results)
inline

Member Function Documentation

void psi::CorrelatedFunctor::finalize ( )
inline
void psi::CorrelatedFunctor::load_tpdm ( size_t  id)
inline
void psi::CorrelatedFunctor::next_tpdm_element ( )
inline
void psi::CorrelatedFunctor::operator() ( int  salc,
int  pabs,
int  qabs,
int  rabs,
int  sabs,
int  ,
int  ,
int  ,
int  ,
int  ,
int  ,
int  ,
int  ,
double  value 
)
inline

Member Data Documentation

size_t* psi::CorrelatedFunctor::buffer_sizes_
private

How large the buffer is, for each shell pair.

int psi::CorrelatedFunctor::nthread
std::shared_ptr<PSIO> psi::CorrelatedFunctor::psio_
private

The PSIO object to use for disk I/O.

std::vector<SharedVector> psi::CorrelatedFunctor::result
double* psi::CorrelatedFunctor::tpdm_buffer_
private

The buffer to hold the TPDM.

double* psi::CorrelatedFunctor::tpdm_ptr_
private

Pointer to the current TPDM element.


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