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Scine::Sparrow
4.0.0
Library for fast and agile quantum chemical calculations with semiempirical methods.
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Public Attributes | |
| std::shared_ptr< Core::Calculator > | interfaceMethod_ |
| nddo::PM6Method | underlyingMethod_ |
| Utils::AtomCollection | ethanol_ |
| Utils::StatesHandler | statesHandler_ |
| Core::Log | log |