Inheritance diagram for Scine::Sparrow::SlaterToGaussianDipoleTest:

Collaboration diagram for Scine::Sparrow::SlaterToGaussianDipoleTest:

Public Attributes
std::shared_ptr< Core::Calculator >	method

nddo::PM6Method	underlyingMethod

std::unique_ptr < NDDODipoleMatrixCalculator < nddo::PM6Method > >	matrixCalculator

std::unique_ptr < NDDODipoleMomentCalculator < nddo::PM6Method > >	dipoleCalculator

double const	arbitraryExponentA_ {1.93834}

double const	arbitraryExponentB_ {1.34521}

Utils::GtoExpansion	gtoHs

Utils::GtoExpansion	gtoFs

Utils::GtoExpansion	gtoFp

Utils::AtomicGtos	AtomicGtosH

Utils::AtomicGtos	AtomicGtosF

Eigen::RowVector3d	Ri

Eigen::RowVector3d	Rj

Eigen::RowVector3d	Ri2

Eigen::RowVector3d	Rj2

Eigen::Vector3d	Rij

Utils::AtomCollection	HF

Utils::AtomCollection	Ethanol

Utils::DipoleMatrix	dipoleMatrix_

Utils::DipoleMatrix	dipoleMatrix2_

Eigen::Vector3d	evaluationCoordinate

Core::Log	log

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

Public Attributes