occ::qm::EDIIS Class Reference

#include <ediis.h>

Public Member Functions
	EDIIS (size_t start=2, size_t diis_subspace=8)
Mat	update (SpinorbitalKind kind, const Mat &D, const Mat &F, double e)
double	error () const
void	reset ()

Constructor & Destructor Documentation

EDIIS()

occ::qm::EDIIS::EDIIS	(	size_t	start = 2,
		size_t	diis_subspace = 8
	)

Member Function Documentation

error()

double occ::qm::EDIIS::error ( ) const

inline

reset()

void occ::qm::EDIIS::reset

(

)

update()

Mat occ::qm::EDIIS::update	(	SpinorbitalKind	kind,
		const Mat &	D,
		const Mat &	F,
		double	e
	)

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

• /home/runner/work/occ/occ/include/occ/qm/ediis.h