Psi4
Public Member Functions | Static Public Member Functions | Protected Member Functions | Protected Attributes | List of all members
psi::SAPTDenominator Class Referenceabstract

#include <denominator.h>

Inheritance diagram for psi::SAPTDenominator:
psi::SAPTCholeskyDenominator psi::SAPTLaplaceDenominator

Public Member Functions

 SAPTDenominator (std::shared_ptr< Vector >, std::shared_ptr< Vector >, std::shared_ptr< Vector >, std::shared_ptr< Vector >, double, bool)
 
virtual ~SAPTDenominator ()
 
double delta () const
 
int nvector () const
 
virtual void debug ()
 
SharedMatrix denominatorA () const
 
SharedMatrix denominatorB () const
 

Static Public Member Functions

static std::shared_ptr
< SAPTDenominator
buildDenominator (const std::string &algorithm, std::shared_ptr< Vector > eps_occA, std::shared_ptr< Vector > eps_virA, std::shared_ptr< Vector > eps_occB, std::shared_ptr< Vector > eps_virB, double delta, bool debug=false)
 

Protected Member Functions

virtual void decompose ()=0
 
void check_denom (std::shared_ptr< Vector >, std::shared_ptr< Vector >, SharedMatrix)
 

Protected Attributes

SharedMatrix denominatorA_
 
SharedMatrix denominatorB_
 
std::shared_ptr< Vectoreps_occA_
 
std::shared_ptr< Vectoreps_virA_
 
std::shared_ptr< Vectoreps_occB_
 
std::shared_ptr< Vectoreps_virB_
 
int nvector_
 
double delta_
 
bool debug_
 

Constructor & Destructor Documentation

psi::SAPTDenominator::SAPTDenominator ( std::shared_ptr< Vector eps_occA,
std::shared_ptr< Vector eps_virA,
std::shared_ptr< Vector eps_occB,
std::shared_ptr< Vector eps_virB,
double  delta,
bool  debug 
)
psi::SAPTDenominator::~SAPTDenominator ( )
virtual

Member Function Documentation

std::shared_ptr< SAPTDenominator > psi::SAPTDenominator::buildDenominator ( const std::string &  algorithm,
std::shared_ptr< Vector eps_occA,
std::shared_ptr< Vector eps_virA,
std::shared_ptr< Vector eps_occB,
std::shared_ptr< Vector eps_virB,
double  delta,
bool  debug = false 
)
static
void psi::SAPTDenominator::check_denom ( std::shared_ptr< Vector eps_occ,
std::shared_ptr< Vector eps_vir,
SharedMatrix  denominator 
)
protected
void psi::SAPTDenominator::debug ( )
virtual

Reimplemented in psi::SAPTLaplaceDenominator.

virtual void psi::SAPTDenominator::decompose ( )
protectedpure virtual
double psi::SAPTDenominator::delta ( ) const
inline
SharedMatrix psi::SAPTDenominator::denominatorA ( ) const
inline
SharedMatrix psi::SAPTDenominator::denominatorB ( ) const
inline
int psi::SAPTDenominator::nvector ( ) const
inline

Member Data Documentation

bool psi::SAPTDenominator::debug_
protected
double psi::SAPTDenominator::delta_
protected
SharedMatrix psi::SAPTDenominator::denominatorA_
protected
SharedMatrix psi::SAPTDenominator::denominatorB_
protected
std::shared_ptr<Vector> psi::SAPTDenominator::eps_occA_
protected
std::shared_ptr<Vector> psi::SAPTDenominator::eps_occB_
protected
std::shared_ptr<Vector> psi::SAPTDenominator::eps_virA_
protected
std::shared_ptr<Vector> psi::SAPTDenominator::eps_virB_
protected
int psi::SAPTDenominator::nvector_
protected

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