|
Scine::Sparrow
4.0.0
Library for fast and agile quantum chemical calculations with semiempirical methods.
|
#include "NDDODipoleMatrixCalculator.h"#include "Sparrow/Implementations/Nddo/Utils/DipoleUtils/AtomPairDipole.h"#include "Sparrow/Implementations/Nddo/Utils/DipoleUtils/GTODipoleMatrixBlock.h"#include <Sparrow/Implementations/Nddo/Am1/AM1Method.h>#include <Sparrow/Implementations/Nddo/Mndo/MNDOMethod.h>#include <Sparrow/Implementations/Nddo/Pm6/PM6Method.h>#include <Sparrow/Implementations/Nddo/Utils/NDDOInitializer.h>#include <Sparrow/Implementations/Nddo/Utils/ParameterUtils/ElementParameters.h>#include <Utils/DataStructures/AtomsOrbitalsIndexes.h>#include <Utils/Geometry.h>#include <Utils/Typenames.h>#include <Eigen/Core>#include <Eigen/Eigenvalues>#include <iostream>