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ExactExchange Class Reference

Exact-exchange calculator. More...

#include <ExactExchange.h>

Public Member Functions

 ExactExchange (const Everything &e)
double operator() (double aXX, double omega, const std::vector< diagMatrix > &F, const std::vector< ColumnBundle > &C, std::vector< ColumnBundle > *HC=0) const

Detailed Description

Exact-exchange calculator.

Member Function Documentation

double ExactExchange::operator() ( double  aXX,
double  omega,
const std::vector< diagMatrix > &  F,
const std::vector< ColumnBundle > &  C,
std::vector< ColumnBundle > *  HC = 0 
) const

Compute scaled exact exchange energy with scale aXX and range omega (and optionally accumulate gradients) given fillings and wavefunctions

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