Scine::Sparrow::AOverlapMatrix Class Reference

Inheritance diagram for Scine::Sparrow::AOverlapMatrix:

Collaboration diagram for Scine::Sparrow::AOverlapMatrix:

Public Member Functions
void	SetUp () override

Public Attributes
Utils::AtomsOrbitalsIndexes	aoIndexes_
ElementParameters	elementParameters
OverlapMatrix	S
std::unique_ptr< AtomicParameters >	apH
std::unique_ptr< AtomicParameters >	apC
std::unique_ptr< AtomicParameters >	apV
AtomPairOverlap < Utils::DerivativeOrder::Zero >	pairOverlap
Utils::GtoExpansion	gs1
Utils::GtoExpansion	gs2
Utils::GtoExpansion	gp1
Utils::GtoExpansion	gp2
Utils::GtoExpansion	gd1
Utils::GtoExpansion	gd2
Utils::AtomicGtos	aS1
Utils::AtomicGtos	aS2
Utils::AtomicGtos	aP1
Utils::AtomicGtos	aP2
Utils::AtomicGtos	aD1
Utils::AtomicGtos	aD2
Eigen::Vector3d	arbitraryVector
Eigen::RowVector3d	pos1
Eigen::RowVector3d	pos2
Eigen::RowVector3d	pos3
Eigen::RowVector3d	pos4
Utils::ElementTypeCollection	elementTypes_
Utils::PositionCollection	positions_

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

• src/Sparrow/Tests/Nddo/OverlapMatrixTest.cpp