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

#include <heff.h>

Public Member Functions

 Hamiltonian ()
 
 ~Hamiltonian ()
 
double get_eigenvalue () const
 
double get_matrix (int mu, int nu) const
 
double get_left_eigenvector (int mu) const
 
double get_right_eigenvector (int mu) const
 
double get_zeroth_order_eigenvector (int mu) const
 
double expectation_value ()
 
double diagonalize (int root=0)
 
double trace ()
 
void add_matrix (int mu, int nu, double value)
 
void set_eigenvalue (double eigenvalue_)
 
void set_matrix (double **M, int ndets)
 
void set_zeroth_order_eigenvector (double *v, int ndets)
 
void set_left_eigenvector (double *v, int ndets)
 
void set_right_eigenvector (double *v, int ndets)
 
void print ()
 
void print_matrix ()
 

Private Member Functions

void startup ()
 
void cleanup ()
 

Private Attributes

int ndets
 
double eigenvalue
 
std::vector< std::vector
< double > > 
matrix
 
std::vector< double > right_eigenvector
 
std::vector< double > left_eigenvector
 
std::vector< double > zeroth_order_eigenvector
 

Constructor & Destructor Documentation

psi::psimrcc::Hamiltonian::Hamiltonian ( )
psi::psimrcc::Hamiltonian::~Hamiltonian ( )

Member Function Documentation

void psi::psimrcc::Hamiltonian::add_matrix ( int  mu,
int  nu,
double  value 
)
inline
void psi::psimrcc::Hamiltonian::cleanup ( void  )
private
double psi::psimrcc::Hamiltonian::diagonalize ( int  root = 0)
double psi::psimrcc::Hamiltonian::expectation_value ( )
double psi::psimrcc::Hamiltonian::get_eigenvalue ( ) const
inline
double psi::psimrcc::Hamiltonian::get_left_eigenvector ( int  mu) const
inline
double psi::psimrcc::Hamiltonian::get_matrix ( int  mu,
int  nu 
) const
inline
double psi::psimrcc::Hamiltonian::get_right_eigenvector ( int  mu) const
inline
double psi::psimrcc::Hamiltonian::get_zeroth_order_eigenvector ( int  mu) const
inline
void psi::psimrcc::Hamiltonian::print ( void  )
void psi::psimrcc::Hamiltonian::print_matrix ( )
void psi::psimrcc::Hamiltonian::set_eigenvalue ( double  eigenvalue_)
inline
void psi::psimrcc::Hamiltonian::set_left_eigenvector ( double *  v,
int  ndets 
)
void psi::psimrcc::Hamiltonian::set_matrix ( double **  M,
int  ndets 
)
void psi::psimrcc::Hamiltonian::set_right_eigenvector ( double *  v,
int  ndets 
)
void psi::psimrcc::Hamiltonian::set_zeroth_order_eigenvector ( double *  v,
int  ndets 
)
void psi::psimrcc::Hamiltonian::startup ( )
private
double psi::psimrcc::Hamiltonian::trace ( )

Member Data Documentation

double psi::psimrcc::Hamiltonian::eigenvalue
private
std::vector<double> psi::psimrcc::Hamiltonian::left_eigenvector
private
std::vector<std::vector<double> > psi::psimrcc::Hamiltonian::matrix
private
int psi::psimrcc::Hamiltonian::ndets
private
std::vector<double> psi::psimrcc::Hamiltonian::right_eigenvector
private
std::vector<double> psi::psimrcc::Hamiltonian::zeroth_order_eigenvector
private

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