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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 <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>