/*
* Copyright 2009-2018 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.
*
*/
#ifndef VOTCA_XTP_PPM_H
#define VOTCA_XTP_PPM_H
#include <votca/xtp/eigen.h>
#include <votca/xtp/rpa.h>
namespace votca {
namespace xtp {
class PPM {
public:
PPM():screening_r(0.0),screening_i(0.5){};
//This sets the screening frequencies for real and imaginary part in hartree
double getScreening_r()const{return screening_r;}
double getScreening_i()const{return screening_i;}
void PPM_construct_parameters(const RPA& rpa);
const Eigen::VectorXd& getPpm_weight() const {
return _ppm_weight;
}
const Eigen::VectorXd& getPpm_freq() const {
return _ppm_freq;
}
const Eigen::MatrixXd& getPpm_phi() const {
return _ppm_phi;
}
void FreeMatrix(){
_ppm_phi.resize(0,0);
}
private:
double screening_r;
double screening_i;
// PPM related variables and functions
Eigen::MatrixXd _ppm_phi;
Eigen::VectorXd _ppm_freq;
Eigen::VectorXd _ppm_weight;
};
}
}
#endif // VOTCA_XTP_GWBSE_H