DiagonalPreconditionerEvaluator.h

Go to the documentation of this file.

#ifndef SPARROW_DIAGONALPRECONDITIONEREVALUATOR_H
#define SPARROW_DIAGONALPRECONDITIONEREVALUATOR_H
#include "OrderTag.h"
#include <Utils/Math/IterativeDiagonalizer/PreconditionerEvaluator.h>
#include <Utils/Math/IterativeDiagonalizer/SpinAdaptedEigenContainer.h>
namespace Scine {
namespace Utils {
namespace LcaoUtils {
class ElectronicOccupation;
}
class SingleParticleEnergies;
} // namespace Utils
namespace Sparrow {

class DiagonalPreconditionerEvaluator final : public Utils::PreconditionerEvaluator {
 public:
  explicit DiagonalPreconditionerEvaluator(const Eigen::VectorXd& energyDifferenceVector);
  explicit DiagonalPreconditionerEvaluator(
      const Utils::SpinAdaptedContainer<Utils::Reference::Unrestricted, Eigen::VectorXd>& energyDifferenceVector);
  explicit DiagonalPreconditionerEvaluator(
      const Utils::SpinAdaptedContainer<Utils::Reference::Restricted, Eigen::VectorXd>& energyDifferenceVector);
  DiagonalPreconditionerEvaluator(const Utils::SpinAdaptedContainer<Utils::Reference::Unrestricted, Eigen::VectorXd>& energyDifferenceVector,
                                  OrderTag);
  DiagonalPreconditionerEvaluator(const Utils::SpinAdaptedContainer<Utils::Reference::Restricted, Eigen::VectorXd>& energyDifferenceVector,
                                  OrderTag);
  ~DiagonalPreconditionerEvaluator() final = default;
  Eigen::VectorXd evaluate(const Eigen::VectorXd& vectorToPrecondition, double eigenvalue) const final;

 private:
  Eigen::VectorXd energyDifferences_;
};
} // namespace Sparrow
} // namespace Scine

#endif // SPARROW_UNRESTRICTEDDIAGONALPRECONDITIONEREVALUATOR_H