Class Scine::Sparrow::DFTB3MethodWrapper¶
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class
DFTB3MethodWrapper: public Utils::CloneInterface<DFTB3MethodWrapper, DFTBMethodWrapper>¶ A method wrapper handling DFTB3 calculations.
Public Functions
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DFTB3MethodWrapper()¶ Default Constructor.
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~DFTB3MethodWrapper()¶ Default Destructor.
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std::string
name() const¶ Getter for the name of the underlying method.
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Returns the name of the underlying method.
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void
applySettings()¶ Function to apply the settings to the underlying method.
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