Scine::Sparrow  4.0.0
Library for fast and agile quantum chemical calculations with semiempirical methods.
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Scine::Sparrow::ADFTB3Calculation Class Reference
Inheritance diagram for Scine::Sparrow::ADFTB3Calculation:
Inheritance graph
Collaboration diagram for Scine::Sparrow::ADFTB3Calculation:
Collaboration graph

Public Member Functions

void SetUp () override
 

Public Attributes

dftb::DFTB3 method
 
std::shared_ptr< Core::Calculator > dynamicallyLoadedMethodWrapper
 
std::shared_ptr
< DFTB3MethodWrapper > 		calculator
 
Core::Log log
 
The documentation for this class was generated from the following file: