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

#include <fjt.h>

Inheritance diagram for psi::GaussianFundamental:
psi::Fjt psi::ErfComplementFundamental psi::ErfFundamental psi::F12DoubleCommutatorFundamental psi::F12Fundamental psi::F12G12Fundamental psi::F12ScaledFundamental psi::F12SquaredFundamental

Public Member Functions

 GaussianFundamental (std::shared_ptr< CorrelationFactor > cf, int max)
 
virtual ~GaussianFundamental ()
 
virtual double * values (int J, double T)=0
 
void set_rho (double rho)
 
- Public Member Functions inherited from psi::Fjt
 Fjt ()
 
virtual ~Fjt ()
 

Protected Attributes

std::shared_ptr
< CorrelationFactor
cf_
 
double rho_
 
double * value_
 

Constructor & Destructor Documentation

GaussianFundamental::GaussianFundamental ( std::shared_ptr< CorrelationFactor cf,
int  max 
)
GaussianFundamental::~GaussianFundamental ( )
virtual

Member Function Documentation

void GaussianFundamental::set_rho ( double  rho)
virtual

Reimplemented from psi::Fjt.

virtual double* psi::GaussianFundamental::values ( int  J,
double  T 
)
pure virtual

Computed F_j(T) for every 0 <= j <= J (total of J+1 doubles). The user may read/write these values. The values will be overwritten with the next call to this functions. The pointer will be invalidated after the call to ~Fjt.

Implements psi::Fjt.

Implemented in psi::ErfComplementFundamental, psi::ErfFundamental, psi::F12DoubleCommutatorFundamental, psi::F12G12Fundamental, psi::F12SquaredFundamental, psi::F12ScaledFundamental, and psi::F12Fundamental.

Member Data Documentation

std::shared_ptr<CorrelationFactor> psi::GaussianFundamental::cf_
protected
double psi::GaussianFundamental::rho_
protected
double* psi::GaussianFundamental::value_
protected

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