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

Public Member Functions

 ScfUnrestrictedFunctor ()
 
 ScfUnrestrictedFunctor (SharedVector results, std::shared_ptr< Matrix > Da, std::shared_ptr< Matrix > Db)
 
 ~ScfUnrestrictedFunctor ()
 
void load_tpdm (size_t)
 
void next_tpdm_element ()
 
void finalize ()
 
void operator() (int salc, int pabs, int qabs, int rabs, int sabs, int pirrep, int pso, int qirrep, int qso, int rirrep, int rso, int sirrep, int sso, double value)
 

Public Attributes

int nthread
 
std::vector< SharedVectorresult
 

Private Attributes

SharedMatrix Da_
 
SharedMatrix Db_
 

Constructor & Destructor Documentation

psi::ScfUnrestrictedFunctor::ScfUnrestrictedFunctor ( )
inline
psi::ScfUnrestrictedFunctor::ScfUnrestrictedFunctor ( SharedVector  results,
std::shared_ptr< Matrix Da,
std::shared_ptr< Matrix Db 
)
inline
psi::ScfUnrestrictedFunctor::~ScfUnrestrictedFunctor ( )
inline

Member Function Documentation

void psi::ScfUnrestrictedFunctor::finalize ( )
inline
void psi::ScfUnrestrictedFunctor::load_tpdm ( size_t  )
inline
void psi::ScfUnrestrictedFunctor::next_tpdm_element ( )
inline
void psi::ScfUnrestrictedFunctor::operator() ( int  salc,
int  pabs,
int  qabs,
int  rabs,
int  sabs,
int  pirrep,
int  pso,
int  qirrep,
int  qso,
int  rirrep,
int  rso,
int  sirrep,
int  sso,
double  value 
)
inline

Member Data Documentation

SharedMatrix psi::ScfUnrestrictedFunctor::Da_
private
SharedMatrix psi::ScfUnrestrictedFunctor::Db_
private
int psi::ScfUnrestrictedFunctor::nthread
std::vector<SharedVector> psi::ScfUnrestrictedFunctor::result

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