occ::dft::cosx::SemiNumericalExchange Class Reference

#include <seminumerical_exchange.h>

Public Member Functions
	SemiNumericalExchange (const qm::AOBasis &, const GridSettings &={})
Mat	compute_K (const qm::MolecularOrbitals &mo, double precision=std::numeric_limits< double >::epsilon(), const occ::Mat &Schwarz=occ::Mat()) const
Mat	compute_overlap_matrix () const
const auto &	engine () const

Constructor & Destructor Documentation

SemiNumericalExchange()

occ::dft::cosx::SemiNumericalExchange::SemiNumericalExchange	(	const qm::AOBasis &	,
		const GridSettings &	= {}
	)

Member Function Documentation

compute_K()

Mat occ::dft::cosx::SemiNumericalExchange::compute_K	(	const qm::MolecularOrbitals &	mo,
		double	precision = std::numeric_limits< double >::epsilon(),
		const occ::Mat &	Schwarz = occ::Mat()
	)		const

compute_overlap_matrix()

Mat occ::dft::cosx::SemiNumericalExchange::compute_overlap_matrix

(

)

const

engine()

const auto & occ::dft::cosx::SemiNumericalExchange::engine ( ) const

inline

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

• /home/runner/work/occ/occ/include/occ/dft/seminumerical_exchange.h