NDDODipoleMomentCalculator.h File Reference

#include <Sparrow/Implementations/DipoleMomentCalculator.h>
#include <Utils/DataStructures/DipoleMatrix.h>
#include <Utils/Typenames.h>
#include <memory>
#include <vector>

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Classes
class	Scine::Sparrow::NDDODipoleMomentCalculator< NDDOMethod >
	Class resposible for the calculation of the dipole in the NDDO methods. It must be able to calculate the dipole both with the NDDO approximation and with the use of the dipole matrix. More...

Detailed Description

Copyright

This code is licensed under the 3-clause BSD license.
Copyright ETH Zurich, Department of Chemistry and Applied Biosciences, Reiher Group.
See LICENSE.txt for details.