test_system_atom.cpp

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// SPDX-FileCopyrightText: 2024 Pairinteraction Developers
// SPDX-License-Identifier: LGPL-3.0-or-later
 
#include "pairinteraction/pairinteraction.hpp"
#include "pairinteraction/utils/args.hpp"
 
#include <filesystem>
#include <spdlog/spdlog.h>
 
int main(int argc, char **argv) {
    // Call the setup function to configure logging
    pairinteraction::setup();
 
    // Create a database instance
    std::filesystem::path database_dir;
    bool download_missing = false;
 
    for (int i = 1; i < argc; ++i) {
        bool found = pairinteraction::args::parse_download_missing(i, argc, argv, download_missing);
        if (!found) {
            pairinteraction::args::parse_database_dir(i, argc, argv, database_dir);
        }
    }
 
    pairinteraction::Database database(download_missing, true, database_dir);
 
    // Create a basis
    auto basis = pairinteraction::BasisAtomCreator<double>()
                     .set_species("Rb")
                     .restrict_quantum_number_n(58, 62)
                     .restrict_quantum_number_l(0, 3)
                     .create(database);
 
    SPDLOG_INFO("Number of basis states: {}", basis->get_number_of_states());
 
    // Create a system
    auto system = pairinteraction::SystemAtom<double>(basis);
    system.set_electric_field({0, 0, 1});
    system.set_magnetic_field({0, 0, 1});
    system.set_diamagnetism_enabled(true);
 
    return 0;
}