Scine::Sparrow  4.0.0
Library for fast and agile quantum chemical calculations with semiempirical methods.
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Scine::Sparrow::ATDDFTBTestCalculation Class Reference
Inheritance diagram for Scine::Sparrow::ATDDFTBTestCalculation:
Inheritance graph
Collaboration diagram for Scine::Sparrow::ATDDFTBTestCalculation:
Collaboration graph

Public Attributes

std::unique_ptr
< TransitionChargesCalculator > 		transChargeCalc
 
std::shared_ptr< dftb::DFTB2 > calculatorEtene
 
std::shared_ptr
< DFTB2MethodWrapper > 		dftbMethod
 
std::shared_ptr
< DFTB2MethodWrapper > 		dftbPorphMethod
 
std::shared_ptr
< DFTB0MethodWrapper > 		dftb0Method
 
std::shared_ptr< TDDFTBCalculator > tddftbCalculator
 
std::shared_ptr
< Core::CalculatorWithReference > 		interfaceCalculator
 
Core::Log log
 
The documentation for this class was generated from the following file: