CcsdtEnergyFromCoulombIntegrals.hpp

Go to the documentation of this file.

#ifndef CCSDTENERGYFROMCOULOMBINTEGRALS_HPP_
#define CCSDTENERGYFROMCOULOMBINTEGRALS_HPP_
 
#include <algorithms/ClusterSinglesDoublesTriplesAlgorithm.hpp>
 
namespace sisi4s {
class CcsdtEnergyFromCoulombIntegrals
    : public ClusterSinglesDoublesTriplesAlgorithm {
public:
  ALGORITHM_REGISTRAR_DECLARATION(CcsdtEnergyFromCoulombIntegrals);
  CcsdtEnergyFromCoulombIntegrals(std::vector<Argument> const &argumentList)
      : ClusterSinglesDoublesTriplesAlgorithm(argumentList){};
  virtual ~CcsdtEnergyFromCoulombIntegrals(){};
 
  virtual std::string getAbbreviation() { return "Ccsdt"; }
 
  static int64_t constexpr DEFAULT_SLICE_SIZE = -1;
  static int64_t constexpr DEFAULT_DISTINGUISHABLE = 0;
 
  template <typename F>
  PTR(FockVector<F>)
  getResiduumTemplate(const int iterationStep,
                      const PTR(const FockVector<F>) &amplitudes);
 
  virtual PTR(FockVector<double>)
  getResiduum(const int iteration,
              const PTR(const FockVector<double>) &amplitudes);
  virtual PTR(FockVector<complex>)
  getResiduum(const int iteration,
              const PTR(const FockVector<complex>) &amplitudes);
};
} // namespace sisi4s
 
#endif