Scine::Sparrow
5.1.0
Library for fast and agile quantum chemical calculations with semiempirical methods.
|
Public Attributes | |
std::shared_ptr< Core::Calculator > | interfaceMethod_ |
nddo::PM6Method | underlyingMethod_ |
Utils::AtomCollection | ethanol_ |
Utils::StatesHandler | statesHandler_ |
Core::Log | log |