Scine::Sparrow  5.0.0
Library for fast and agile quantum chemical calculations with semiempirical methods.
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Local2c2eIntegralCalculator.h File Reference
#include "MultipoleMultipoleInteractionContainer.h"
#include "multipoleTypes.h"
#include <array>
#include <list>
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Classes

class  Scine::Sparrow::nddo::multipole::Local2c2eIntegralCalculator
 This class is responsible for the calculation of the 2-center-2-electron integrals in the local coordinate system. More...
 
struct  Scine::Sparrow::nddo::multipole::Local2c2eIntegralCalculator::LocalTerm
 Struct defining an interaction between two multipoles. It consists of a prefactor, f, the charge distributions and the corresponding multipoles. It thus uniquely defines an interaction. More...
 

Detailed Description