beyondRTA.hpp

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// Copyright 2015-2018 The ALMA Project Developers
//
// 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


#include <constants.hpp>
#include <structures.hpp>
#include <qpoint_grid.hpp>
#include <processes.hpp>
#include <isotopic_scattering.hpp>
#include <boost/mpi.hpp>
#include <Eigen/Dense>

namespace alma {
namespace beyondRTA {
Eigen::MatrixXd calc_kappa(
    const alma::Crystal_structure& poscar,
    const alma::Gamma_grid& grid,
    const alma::Symmetry_operations& syms,
    const std::vector<alma::Threeph_process>& threeph_procs,
    const std::vector<alma::Twoph_process>& twoph_procs,
    const Eigen::Ref<const Eigen::ArrayXXd>& w0,
    double T,
    bool iterative,
    boost::mpi::communicator& world);
} // namespace beyondRTA
} // namespace alma