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: