Psi4
Public Member Functions | List of all members
psi::Fjt Class Referenceabstract

Evaluates the Boys function F_j(T) More...

#include <fjt.h>

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

Public Member Functions

 Fjt ()
 
virtual ~Fjt ()
 
virtual double * values (int J, double T)=0
 
virtual void set_rho (double)
 

Detailed Description

Evaluates the Boys function F_j(T)

Constructor & Destructor Documentation

Fjt::Fjt ( )
Fjt::~Fjt ( )
virtual

Member Function Documentation

virtual void psi::Fjt::set_rho ( double  )
inlinevirtual

Reimplemented in psi::GaussianFundamental.

virtual double* psi::Fjt::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.

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


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