/*
* Copyright 2009-2019 The VOTCA Development Team
* (http://www.votca.org)
*
* Licensed under the Apache License, Version 2.0 (the "License")
*
* You may not use this file except in compliance with the License.
* You may obtain a copy of the License at
*
* http://www.apache.org/licenses/LICENSE-2.0
*
* Unless required by applicable law or agreed to in writing, software
* distributed under the License is distributed on an "AS IS" BASIS,
* WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
* See the License for the specific language governing permissions and
* limitations under the License.
*
*/
#pragma once
#ifndef VOTCA_XTP_OPTIMISER_COSTFUNCTION_H
#define VOTCA_XTP_OPTIMISER_COSTFUNCTION_H
#include <votca/xtp/eigen.h>
namespace votca {
namespace xtp {
class Optimiser_costfunction {
public:
virtual ~Optimiser_costfunction() = default;
virtual double EvaluateCost(const Eigen::VectorXd& parameters) = 0;
virtual Eigen::VectorXd EvaluateGradient(
const Eigen::VectorXd& parameters) = 0;
virtual Index NumParameters() const = 0;
virtual bool Converged(const Eigen::VectorXd& delta_parameters,
double delta_cost,
const Eigen::VectorXd& gradient) = 0;
};
} // namespace xtp
} // namespace votca
#endif // VOTCA_XTP_OPTIMISER_COSTFUNCTION_H