ExactExchange Class Reference

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

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

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

• electronic/ExactExchange.h