/*
* Copyright 2009-2020 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_AMPLITUDE_INTEGRATION_H
#define VOTCA_XTP_AMPLITUDE_INTEGRATION_H
// Local VOTCA includes
#include "aobasis.h"
#include "eigen.h"
#include "regular_grid.h"
namespace votca {
namespace xtp {
template <class Grid>
class AmplitudeIntegration {
public:
explicit AmplitudeIntegration(const Grid& grid) : _grid(grid){};
std::vector<std::vector<double> > IntegrateAmplitude(
const Eigen::VectorXd& amplitude);
private:
std::vector<std::vector<double> > SetupAmplitudeContainer();
const Grid _grid;
};
} // namespace xtp
} // namespace votca
#endif // VOTCA_XTP_AMPLITUDE_INTEGRATION_H