Scine::Sparrow
5.1.0
Library for fast and agile quantum chemical calculations with semiempirical methods.
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Public Attributes | |
std::shared_ptr< Core::Calculator > | methodWrapper_ |
std::shared_ptr < Core::CalculatorWithReference > | excitedStatesCalculator_ |
std::shared_ptr < Core::CalculatorWithReference > | polymorphicCIS |
Protected Member Functions | |
void | SetUp () final |