NaturalTransitionOrbitalsFromRhoAI.hpp

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#ifndef NATURALTRANSITIONORBITALSTRANSFORMATIONFROMPARTICLEHOLEDENSITYMATRIX
#define NATURALTRANSITIONORBITALSTRANSFORMATIONFROMPARTICLEHOLEDENSITYMATRIX
 
#include <algorithms/Algorithm.hpp>
#include <math/FockVector.hpp>
#include <vector>
#include <math/Complex.hpp>
 
namespace sisi4s {
 
struct NaturalTransitionOrbitalsFromRhoAI : public Algorithm {
  ALGORITHM_REGISTRAR_DECLARATION(NaturalTransitionOrbitalsFromRhoAI);
  NaturalTransitionOrbitalsFromRhoAI(std::vector<Argument> const &argumentList)
      : Algorithm(argumentList){};
  virtual ~NaturalTransitionOrbitalsFromRhoAI(){};
 
  virtual void run();
 
  template <typename F>
  void buildTransformations(Tensor<F> &rho, const std::string name);
 
  template <typename F>
  void run();
};
 
} // namespace sisi4s
 
#endif