Energy.h

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#ifndef READUCT_ELEMENTARYSTEPOPTIMIZATION_COSTCALCULATORS_ENERGY_H
#define READUCT_ELEMENTARYSTEPOPTIMIZATION_COSTCALCULATORS_ENERGY_H

#include "IntegratingCostCalculator.h"

// TODO: Improve documentation

namespace Scine {
namespace Readuct {

namespace ElementaryStepOptimization {

namespace CostBasedOptimization {

class SCINE_DLLEXPORT Energy : public IntegratingCostCalculator {
  Utils::AutomaticDifferentiation::FirstND calculateCostContribution(const Utils::BSplines::BSpline& spline, double u,
                                                                     double energy,
                                                                     const Utils::GradientCollection& gradients) const override;
  std::unique_ptr<ReactionPathCostCalculator> cloneImpl() const override;
  bool energiesRequiredImpl() const override;
};

} // namespace CostBasedOptimization

} // namespace ElementaryStepOptimization

} // namespace Readuct
} // namespace Scine
#endif // READUCT_ELEMENTARYSTEPOPTIMIZATION_COSTCALCULATORS_ENERGY_H