Scine::Sparrow
5.0.0
Library for fast and agile quantum chemical calculations with semiempirical methods.
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#include <utility>
#include "GenericMethodWrapper.h"
#include "MoldenFileGenerator.h"
#include <Sparrow/Implementations/Nddo/Pm6/Wrapper/PM6MethodWrapper.h>
#include <Sparrow/Implementations/Nddo/Utils/NDDOInitializer.h>
#include <Sparrow/Implementations/Sto6gParameters.h>
#include <Utils/IO/NativeFilenames.h>
#include <Utils/IO/TurbomoleMinimalBasisfile.h>
#include <Utils/Scf/MethodInterfaces/LcaoMethod.h>
#include <Eigen/Eigenvalues>
#include <fstream>
#include <iomanip>
#include <iostream>