Class Scine::Sparrow::DFTB2MethodWrapper

class DFTB2MethodWrapper : public Utils::CloneInterface<DFTB2MethodWrapper, DFTBMethodWrapper>

A method wrapper handling DFTB2 calculations, also known as SCC-DFTB, self-consistent charge DFTB.

Public Functions

DFTB2MethodWrapper()

Default Constructor.

~DFTB2MethodWrapper()

Default Destructor.

std::string name() const

Getter for the name of the underlying method.

Return

Returns the name of the underlying method.

void applySettings()

Function to apply the settings to the underlying method.