Psi4
Public Types | Public Member Functions | Private Member Functions | Private Attributes | List of all members
psi::MOInfo::SlaterDeterminant Class Reference

#include <moinfo.h>

Public Types

typedef std::bitset< size_detbitdet
 

Public Member Functions

 SlaterDeterminant (const MOInfo *)
 
 ~SlaterDeterminant ()
 
void set (int n)
 
bool test (int n) const
 
bool is_closed_shell ()
 
bool is_spin_flipped (SlaterDeterminant &det)
 
bitdetget_bits ()
 
void get_internal_excitations (SlaterDeterminant &det, double &sign, std::vector< std::pair< int, int > > &alpha_operators, std::vector< std::pair< int, int > > &beta_operators)
 
char get_occupation_symbol (int i)
 
std::string get_label ()
 
intvec get_aocc ()
 
intvec get_bocc ()
 
intvec get_avir ()
 
intvec get_bvir ()
 
boolvec get_is_aocc ()
 
boolvec get_is_bocc ()
 
boolvec get_is_avir ()
 
boolvec get_is_bvir ()
 

Private Member Functions

double annihilate (bitdet &bits_det, int so)
 
double create (bitdet &bits_det, int so)
 

Private Attributes

const MOInfomoinfo
 
bitdet bits
 
std::string type
 

Member Typedef Documentation

Constructor & Destructor Documentation

psi::MOInfo::SlaterDeterminant::SlaterDeterminant ( const MOInfo _moinfo)
psi::MOInfo::SlaterDeterminant::~SlaterDeterminant ( )

Member Function Documentation

double psi::MOInfo::SlaterDeterminant::annihilate ( bitdet bits_det,
int  so 
)
private
double psi::MOInfo::SlaterDeterminant::create ( bitdet bits_det,
int  so 
)
private
std::vector< int > psi::MOInfo::SlaterDeterminant::get_aocc ( )
std::vector< int > psi::MOInfo::SlaterDeterminant::get_avir ( )
bitdet& psi::MOInfo::SlaterDeterminant::get_bits ( )
inline
std::vector< int > psi::MOInfo::SlaterDeterminant::get_bocc ( )
std::vector< int > psi::MOInfo::SlaterDeterminant::get_bvir ( )
void psi::MOInfo::SlaterDeterminant::get_internal_excitations ( SlaterDeterminant det,
double &  sign,
std::vector< std::pair< int, int > > &  alpha_operators,
std::vector< std::pair< int, int > > &  beta_operators 
)
std::vector< bool > psi::MOInfo::SlaterDeterminant::get_is_aocc ( )
std::vector< bool > psi::MOInfo::SlaterDeterminant::get_is_avir ( )
std::vector< bool > psi::MOInfo::SlaterDeterminant::get_is_bocc ( )
std::vector< bool > psi::MOInfo::SlaterDeterminant::get_is_bvir ( )
std::string psi::MOInfo::SlaterDeterminant::get_label ( )
char psi::MOInfo::SlaterDeterminant::get_occupation_symbol ( int  i)
bool psi::MOInfo::SlaterDeterminant::is_closed_shell ( )
bool psi::MOInfo::SlaterDeterminant::is_spin_flipped ( SlaterDeterminant det)
void psi::MOInfo::SlaterDeterminant::set ( int  n)
inline
bool psi::MOInfo::SlaterDeterminant::test ( int  n) const
inline

Member Data Documentation

bitdet psi::MOInfo::SlaterDeterminant::bits
private
const MOInfo* psi::MOInfo::SlaterDeterminant::moinfo
private
std::string psi::MOInfo::SlaterDeterminant::type
private

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