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Scine::Sparrow
4.0.0
Library for fast and agile quantum chemical calculations with semiempirical methods.
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#include "GenericMethodWrapper.h"#include "DipoleMatrixCalculator.h"#include "DipoleMomentCalculator.h"#include "MoldenFileGenerator.h"#include "Sto6gParameters.h"#include "Utils/Scf/LcaoUtils/SpinMode.h"#include <Utils/CalculatorBasics/PropertyList.h>#include <Core/Exceptions.h>#include <Sparrow/StatesHandling/SparrowState.h>#include <Utils/CalculatorBasics.h>#include <Utils/GeometricDerivatives/NumericalHessianCalculator.h>#include <Utils/Geometry/AtomCollection.h>#include <Utils/Geometry/ElementInfo.h>#include <Utils/IO/NativeFilenames.h>#include <Utils/Scf/MethodExceptions.h>#include <Utils/Scf/MethodInterfaces/LcaoMethod.h>#include <Utils/Settings.h>#include <Utils/UniversalSettings/SettingsNames.h>#include <boost/filesystem.hpp>#include <fstream>#include <memory>