Function parse_potcar

cpp_core/src/potcar_parser.cpp:983–996

} // namespace

std::vector<PotcarDataset> parse_potcar(const std::string& potcar_path) {
    const std::string text = read_file_to_string(potcar_path);
    const auto blocks = split_datasets(text);
    if (blocks.empty()) {
        throw std::runtime_error("parse_potcar: no dataset blocks found");
    }

    std::vector<PotcarDataset> datasets;
    datasets.reserve(blocks.size());
    for (std::size_t i = 0; i < blocks.size(); ++i) {
        datasets.push_back(parse_dataset_block(blocks[i], i));
    }
    return datasets;
}

std::vector<int> flatten_potcar_projector_l_values(const PotcarDataset& dataset) {
    std::vector<int> projector_l;