Scine::Sparrow::nddo::RawParameterProcessor Class Reference

#include <RawParameterProcessor.h>

Collaboration diagram for Scine::Sparrow::nddo::RawParameterProcessor:

Public Member Functions
	RawParameterProcessor (const Parameters &rawParameters, BasisFunctions basisFunctions=BasisFunctions::spd)
std::unique_ptr < PM6DiatomicParameters >	runtimeDiatomicParameters (Utils::ElementType e1, Utils::ElementType e2)
std::pair< std::unique_ptr < AtomicParameters > , std::unique_ptr < OneCenterTwoElectronIntegrals > >	processAtomicParameters (Utils::ElementType e)

Detailed Description

This class implements functions for the conversion between raw parameters published for PM6 and parameters useful at runtime.

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The documentation for this class was generated from the following files:

• src/Sparrow/Sparrow/Implementations/Nddo/Utils/ParameterUtils/RawParameterProcessor.h
• src/Sparrow/Sparrow/Implementations/Nddo/Utils/ParameterUtils/RawParameterProcessor.cpp