Scine::Sparrow
5.0.0
Library for fast and agile quantum chemical calculations with semiempirical methods.
|
#include "MultipoleMultipoleInteractionContainer.h"
#include "multipoleTypes.h"
#include <array>
#include <list>
Go to the source code of this file.
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... | |