utils.hpp

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// Copyright (c) 2025--present, The Simons Foundation
// This file is part of TRIQS/modest and is licensed under the terms of GPLv3 or later.
// SPDX-License-Identifier: GPL-3.0-or-later
// See LICENSE in the root of this distribution for details.
 
#pragma once
#include "../utils/defs.hpp"
#include <string>
#include <stdexcept>
 
namespace triqs::modest {
 
  enum class DFTCode { Wien2k, QuantumEspresso, VASP, Elk, W90, Hk };
 
  namespace dft_tools {
 
    inline DFTCode dft_code_to_enum(std::string const &code) {
      if (code == "wien2k") return DFTCode::Wien2k;
      if (code == "vasp") return DFTCode::VASP;
      if (code == "w90") return DFTCode::W90;
      if (code == "elk") return DFTCode::Elk;
      if (code == "hk") return DFTCode::Hk;
      if (code == "qe") return DFTCode::QuantumEspresso;
      throw std::runtime_error{"Not a valid dft_code: " + code};
    }
 
  } // namespace dft_tools
 
} // namespace triqs::modest