Psi4
Public Member Functions | Protected Member Functions | Protected Attributes | Friends | List of all members
psi::fisapt::CPHF_FISAPT Class Reference

#include <fisapt.h>

Public Member Functions

 CPHF_FISAPT ()
 
virtual ~CPHF_FISAPT ()
 
void compute_cphf ()
 

Protected Member Functions

std::map< std::string,
std::shared_ptr< Matrix > > 
product (std::map< std::string, std::shared_ptr< Matrix > > b)
 
void preconditioner (std::shared_ptr< Matrix > r, std::shared_ptr< Matrix > z, std::shared_ptr< Vector > o, std::shared_ptr< Vector > v)
 

Protected Attributes

double delta_
 
int maxiter_
 
std::shared_ptr< JKjk_
 
std::shared_ptr< Matrixw_A_
 
std::shared_ptr< Matrixx_A_
 
std::shared_ptr< MatrixCocc_A_
 
std::shared_ptr< MatrixCvir_A_
 
std::shared_ptr< Vectoreps_occ_A_
 
std::shared_ptr< Vectoreps_vir_A_
 
std::shared_ptr< Matrixw_B_
 
std::shared_ptr< Matrixx_B_
 
std::shared_ptr< MatrixCocc_B_
 
std::shared_ptr< MatrixCvir_B_
 
std::shared_ptr< Vectoreps_occ_B_
 
std::shared_ptr< Vectoreps_vir_B_
 

Friends

class FISAPT
 

Constructor & Destructor Documentation

psi::fisapt::CPHF_FISAPT::CPHF_FISAPT ( )
psi::fisapt::CPHF_FISAPT::~CPHF_FISAPT ( )
virtual

Member Function Documentation

void psi::fisapt::CPHF_FISAPT::compute_cphf ( )
void psi::fisapt::CPHF_FISAPT::preconditioner ( std::shared_ptr< Matrix r,
std::shared_ptr< Matrix z,
std::shared_ptr< Vector o,
std::shared_ptr< Vector v 
)
protected
std::map< std::string, std::shared_ptr< Matrix > > psi::fisapt::CPHF_FISAPT::product ( std::map< std::string, std::shared_ptr< Matrix > >  b)
protected

Friends And Related Function Documentation

friend class FISAPT
friend

Member Data Documentation

std::shared_ptr<Matrix> psi::fisapt::CPHF_FISAPT::Cocc_A_
protected
std::shared_ptr<Matrix> psi::fisapt::CPHF_FISAPT::Cocc_B_
protected
std::shared_ptr<Matrix> psi::fisapt::CPHF_FISAPT::Cvir_A_
protected
std::shared_ptr<Matrix> psi::fisapt::CPHF_FISAPT::Cvir_B_
protected
double psi::fisapt::CPHF_FISAPT::delta_
protected
std::shared_ptr<Vector> psi::fisapt::CPHF_FISAPT::eps_occ_A_
protected
std::shared_ptr<Vector> psi::fisapt::CPHF_FISAPT::eps_occ_B_
protected
std::shared_ptr<Vector> psi::fisapt::CPHF_FISAPT::eps_vir_A_
protected
std::shared_ptr<Vector> psi::fisapt::CPHF_FISAPT::eps_vir_B_
protected
std::shared_ptr<JK> psi::fisapt::CPHF_FISAPT::jk_
protected
int psi::fisapt::CPHF_FISAPT::maxiter_
protected
std::shared_ptr<Matrix> psi::fisapt::CPHF_FISAPT::w_A_
protected
std::shared_ptr<Matrix> psi::fisapt::CPHF_FISAPT::w_B_
protected
std::shared_ptr<Matrix> psi::fisapt::CPHF_FISAPT::x_A_
protected
std::shared_ptr<Matrix> psi::fisapt::CPHF_FISAPT::x_B_
protected

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