HartreeFockFromCoulombIntegrals.hpp

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#ifndef _HARTREE_FOCK_FROM_COULOMB_INTEGRALS_ALGO_DEFINED
#define _HARTREE_FOCK_FROM_COULOMB_INTEGRALS_ALGO_DEFINED
 
#include <algorithms/Algorithm.hpp>
#include <Eigen/Dense>
#include <util/Tensor.hpp>
 
namespace sisi4s {
 
using MatrixColumnMajor =
    Eigen::Matrix<double, Eigen::Dynamic, Eigen::Dynamic, Eigen::ColMajor>;
 
class HartreeFockFromCoulombIntegrals : public Algorithm {
public:
  ALGORITHM_REGISTRAR_DECLARATION(HartreeFockFromCoulombIntegrals);
  HartreeFockFromCoulombIntegrals(std::vector<Argument> const &argumentList)
      : Algorithm(argumentList) {}
  ~HartreeFockFromCoulombIntegrals() {}
 
  virtual void run();
};
 
MatrixColumnMajor toEigenMatrix(Tensor<double> &ctf);
 
} // namespace sisi4s
 
#endif