vasp_io.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 <Eigen/Dense>
#include <structures.hpp>

namespace alma {
std::unique_ptr<Crystal_structure> load_POSCAR(const char* filename);

std::unique_ptr<Harmonic_ifcs> load_FORCE_CONSTANTS(
    const char* filename,
    const Crystal_structure& cell,
    const int na,
    const int nb,
    const int nc);

Eigen::ArrayXXd load_FORCE_CONSTANTS_raw(const char* filename);

std::unique_ptr<Dielectric_parameters> load_BORN(const char* filename);

std::unique_ptr<std::vector<Thirdorder_ifcs>> load_FORCE_CONSTANTS_3RD(
    const char* filename,
    const Crystal_structure& cell);
} // namespace alma