Psi4
Public Member Functions | Protected Member Functions | Protected Attributes | Friends | List of all members
psi::sapt::CPKS_USAPT0 Class Reference

#include <usapt0.h>

Public Member Functions

 CPKS_USAPT0 ()
 
virtual ~CPKS_USAPT0 ()
 
void compute_cpks ()
 

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< Matrixwa_B_
 
std::shared_ptr< Matrixwb_B_
 
std::shared_ptr< Matrixxa_A_
 
std::shared_ptr< Matrixxb_A_
 
std::shared_ptr< MatrixCocca_A_
 
std::shared_ptr< MatrixCoccb_A_
 
std::shared_ptr< MatrixCvira_A_
 
std::shared_ptr< MatrixCvirb_A_
 
std::shared_ptr< Vectoreps_occa_A_
 
std::shared_ptr< Vectoreps_occb_A_
 
std::shared_ptr< Vectoreps_vira_A_
 
std::shared_ptr< Vectoreps_virb_A_
 
std::shared_ptr< Matrixwa_A_
 
std::shared_ptr< Matrixwb_A_
 
std::shared_ptr< Matrixxa_B_
 
std::shared_ptr< Matrixxb_B_
 
std::shared_ptr< MatrixCocca_B_
 
std::shared_ptr< MatrixCoccb_B_
 
std::shared_ptr< MatrixCvira_B_
 
std::shared_ptr< MatrixCvirb_B_
 
std::shared_ptr< Vectoreps_occa_B_
 
std::shared_ptr< Vectoreps_occb_B_
 
std::shared_ptr< Vectoreps_vira_B_
 
std::shared_ptr< Vectoreps_virb_B_
 

Friends

class USAPT0
 

Constructor & Destructor Documentation

psi::sapt::CPKS_USAPT0::CPKS_USAPT0 ( )
psi::sapt::CPKS_USAPT0::~CPKS_USAPT0 ( )
virtual

Member Function Documentation

void psi::sapt::CPKS_USAPT0::compute_cpks ( )
void psi::sapt::CPKS_USAPT0::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::sapt::CPKS_USAPT0::product ( std::map< std::string, std::shared_ptr< Matrix > > &  b)
protected

Friends And Related Function Documentation

friend class USAPT0
friend

Member Data Documentation

std::shared_ptr<Matrix> psi::sapt::CPKS_USAPT0::Cocca_A_
protected
std::shared_ptr<Matrix> psi::sapt::CPKS_USAPT0::Cocca_B_
protected
std::shared_ptr<Matrix> psi::sapt::CPKS_USAPT0::Coccb_A_
protected
std::shared_ptr<Matrix> psi::sapt::CPKS_USAPT0::Coccb_B_
protected
std::shared_ptr<Matrix> psi::sapt::CPKS_USAPT0::Cvira_A_
protected
std::shared_ptr<Matrix> psi::sapt::CPKS_USAPT0::Cvira_B_
protected
std::shared_ptr<Matrix> psi::sapt::CPKS_USAPT0::Cvirb_A_
protected
std::shared_ptr<Matrix> psi::sapt::CPKS_USAPT0::Cvirb_B_
protected
double psi::sapt::CPKS_USAPT0::delta_
protected
std::shared_ptr<Vector> psi::sapt::CPKS_USAPT0::eps_occa_A_
protected
std::shared_ptr<Vector> psi::sapt::CPKS_USAPT0::eps_occa_B_
protected
std::shared_ptr<Vector> psi::sapt::CPKS_USAPT0::eps_occb_A_
protected
std::shared_ptr<Vector> psi::sapt::CPKS_USAPT0::eps_occb_B_
protected
std::shared_ptr<Vector> psi::sapt::CPKS_USAPT0::eps_vira_A_
protected
std::shared_ptr<Vector> psi::sapt::CPKS_USAPT0::eps_vira_B_
protected
std::shared_ptr<Vector> psi::sapt::CPKS_USAPT0::eps_virb_A_
protected
std::shared_ptr<Vector> psi::sapt::CPKS_USAPT0::eps_virb_B_
protected
std::shared_ptr<JK> psi::sapt::CPKS_USAPT0::jk_
protected
int psi::sapt::CPKS_USAPT0::maxiter_
protected
std::shared_ptr<Matrix> psi::sapt::CPKS_USAPT0::wa_A_
protected
std::shared_ptr<Matrix> psi::sapt::CPKS_USAPT0::wa_B_
protected
std::shared_ptr<Matrix> psi::sapt::CPKS_USAPT0::wb_A_
protected
std::shared_ptr<Matrix> psi::sapt::CPKS_USAPT0::wb_B_
protected
std::shared_ptr<Matrix> psi::sapt::CPKS_USAPT0::xa_A_
protected
std::shared_ptr<Matrix> psi::sapt::CPKS_USAPT0::xa_B_
protected
std::shared_ptr<Matrix> psi::sapt::CPKS_USAPT0::xb_A_
protected
std::shared_ptr<Matrix> psi::sapt::CPKS_USAPT0::xb_B_
protected

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