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Scine::Sparrow
3.1.0
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 |