Scine::Sparrow  5.0.0
Library for fast and agile quantum chemical calculations with semiempirical methods.
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Scine::Sparrow::nddo::OverlapMatrix Member List

This is the complete list of members for Scine::Sparrow::nddo::OverlapMatrix, including all inherited members.

calculateOverlap(Utils::DerivativeOrder highestRequiredOrder) overrideScine::Sparrow::nddo::OverlapMatrixvirtual
getOverlap() const overrideScine::Sparrow::nddo::OverlapMatrix
OverlapMatrix(const Utils::ElementTypeCollection &elements, const Utils::PositionCollection &positions, const Utils::AtomsOrbitalsIndexes &aoIndexes, const ElementParameters &elementParameters)Scine::Sparrow::nddo::OverlapMatrix
reset() overrideScine::Sparrow::nddo::OverlapMatrix