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

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

calculateGuessAtNewPosition(const Utils::PositionCollection &newPositions) -> std::shared_ptr< LinearResponseCalculator::GuessSpecifier >Scine::Sparrow::RealTimeSpectroscopy::GuessPropagator
record(const LinearResponseCalculator::GuessSpecifier &excitedState)Scine::Sparrow::RealTimeSpectroscopy::GuessPropagator
record(const Utils::PositionCollection &positions)Scine::Sparrow::RealTimeSpectroscopy::GuessPropagator
reset()Scine::Sparrow::RealTimeSpectroscopy::GuessPropagator
setDimension(int diisDimension) (defined in Scine::Sparrow::RealTimeSpectroscopy::GuessPropagator)Scine::Sparrow::RealTimeSpectroscopy::GuessPropagator