HartreeFockFromGaussian.hpp

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#ifndef _HARTREE_FOCK_FROM_GAUSSIAN_ALGO_DEFINED
#define _HARTREE_FOCK_FROM_GAUSSIAN_ALGO_DEFINED
 
#include <algorithms/Algorithm.hpp>
#include <vector>
#include <math/Complex.hpp>
 
namespace sisi4s {
 
class HartreeFockFromGaussian : public Algorithm {
public:
  ALGORITHM_REGISTRAR_DECLARATION(HartreeFockFromGaussian);
  HartreeFockFromGaussian(std::vector<Argument> const &argumentList);
  virtual ~HartreeFockFromGaussian();
 
  virtual void run();
 
protected:
  static constexpr int DEFAULT_MAX_ITERATIONS = 16;
};
} // namespace sisi4s
 
#endif