Scine::Sparrow  5.1.0
Library for fast and agile quantum chemical calculations with semiempirical methods.
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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