SteepestDescent.h

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/*
** This file is part of eOn.
**
** SPDX-License-Identifier: BSD-3-Clause
**
** Copyright (c) 2010--present, eOn Development Team
** All rights reserved.
**
** Repo:
** https://github.com/TheochemUI/eOn
*/
#pragma once
#include "EonLogger.h"
 
#include "Eigen.h"
#include "HelperFunctions.h"
#include "Matter.h"
#include "ObjectiveFunction.h"
#include "Optimizer.h"
#include "Parameters.h"
 
namespace eonc {
 
class SteepestDescent final : public Optimizer {
public:
  SteepestDescent(std::shared_ptr<ObjectiveFunction> a_objf,
                  const Parameters &a_params)
      : Optimizer(a_objf, OptType::SD, OptimizerConfig::fromParams(a_params)),
        m_rPrev{Eigen::VectorXd::Zero(a_objf->degreesOfFreedom())},
        m_fPrev{Eigen::VectorXd::Zero(a_objf->degreesOfFreedom())} {}
  ~SteepestDescent() = default;
 
  int step(double a_maxMove) override;
  int run(size_t a_maxIterations, double a_maxMove) override;
 
private:
  eonc::log::FileScoped m_log{"sd", "_sd.log"};
  Eigen::VectorXd getStep(const Eigen::VectorXd &a_f);
  size_t iteration{0};
  Eigen::VectorXd m_rPrev;
  Eigen::VectorXd m_fPrev;
};
 
} // namespace eonc