DFTB3.h File Reference

#include "Sparrow/Implementations/Dftb/Utils/DFTBCommon.h"
#include "Sparrow/Implementations/Dftb/Utils/SDFTB.h"
#include "Utils/DataStructures/MatrixWithDerivatives.h"
#include <Utils/Scf/MethodInterfaces/ScfMethod.h>
#include <Eigen/Core>
#include <string>
#include <vector>

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Classes
class	Scine::Sparrow::dftb::DFTB3

Detailed Description

Copyright

This code is licensed under the 3-clause BSD license.
Copyright ETH Zurich, Department of Chemistry and Applied Biosciences, Reiher Group.
See LICENSE.txt for details.