Scine::Sparrow
5.0.0
Library for fast and agile quantum chemical calculations with semiempirical methods.
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Public Attributes | |
std::shared_ptr< Core::Calculator > | calculator |
std::shared_ptr< Core::Calculator > | calculatorHF |
std::shared_ptr< Core::Calculator > | calculatorOxa |
TDDFTBCalculator | tddftbCalculator |