Class Scine::Sparrow::PM6MethodWrapper

class PM6MethodWrapper : public Utils::CloneInterface<PM6MethodWrapper, NDDOMethodWrapper>

A method wrapper running PM6 calculations.

Public Functions

PM6MethodWrapper()

Default Constructor.

~PM6MethodWrapper()

Default Destructor.

std::string name() const

Getter for the name of the method.

Return

Returns the name of the method.

void applySettings()

Function to apply the settings to the underlying method.