ErgoE2Evaluator Class Reference

ErgoE2Evaluator implements the linear tranformation of the trial vector/transition density matrix by the E[2] operator. More...

Inheritance diagram for ErgoE2Evaluator:

List of all members.

Public Member Functions
	ErgoE2Evaluator (BasisInfoStruct *bis, Molecule *m, const char *mode)
virtual bool	transform (const ergo_real *dmat, ergo_real *fmat)
Private Attributes
BasisInfoStruct *	bi
Molecule *	mol
bool	use_xc

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Detailed Description

ErgoE2Evaluator implements the linear tranformation of the trial vector/transition density matrix by the E[2] operator.

The transition density matrix is supplied in

Parameters:

	dmat.	The result is returned in
	fmat.

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Constructor & Destructor Documentation

ErgoE2Evaluator::ErgoE2Evaluator	(	BasisInfoStruct *	bis,
		Molecule *	m,
		const char *	mode
	)			[inline]

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Member Function Documentation

virtual bool ErgoE2Evaluator::transform	(	const ergo_real *	dmat,
		ergo_real *	fmat
	)			[inline, virtual]

Implements LR::E2Evaluator.

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Member Data Documentation

BasisInfoStruct* ErgoE2Evaluator::bi [private]

Molecule* ErgoE2Evaluator::mol [private]

bool ErgoE2Evaluator::use_xc [private]

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

• source/ergo_scripted.cc

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