Psi4
Public Member Functions | Protected Attributes | List of all members
psi::ContractOverChargesFunctor Class Reference

#include <potentialint.h>

Public Member Functions

 ContractOverChargesFunctor (const double *charges, SharedMatrix F)
 
void operator() (int bf1, int bf2, int center, double integral)
 

Protected Attributes

double ** pF_
 Pointer to the matrix that will contribute to the 2e part of the Fock matrix. More...
 
const double * charges_
 The array of charges. More...
 

Constructor & Destructor Documentation

psi::ContractOverChargesFunctor::ContractOverChargesFunctor ( const double *  charges,
SharedMatrix  F 
)
inline

Member Function Documentation

void psi::ContractOverChargesFunctor::operator() ( int  bf1,
int  bf2,
int  center,
double  integral 
)
inline

Member Data Documentation

const double* psi::ContractOverChargesFunctor::charges_
protected

The array of charges.

double** psi::ContractOverChargesFunctor::pF_
protected

Pointer to the matrix that will contribute to the 2e part of the Fock matrix.

A functor, to be used with PCMPotentialInt, that just contracts potential integrals over charges, leaving a contribution to the Fock matrix


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