Dataset::Dataset<calc_t, calc_t> lj_data("distance", "energy potential");

        LennardJonesPotential<PhaseSpace::calc_t> pot(params.siglj, params.epslj);
        auto step = params.rcutg / 100;

        for (int i= 1; i <= 100; ++i) {

            coord_t x_r ({i*step,0,0});
            calc_t e_lj = 0;
            pot.force(x_r, &e_lj);
            lj_data.push_back(i*step, e_lj);
        }

        decltype(lj_data)::Writer(lj_data, std::string("./lj_data.csv"));
        decltype(sim_data)::Writer(sim_data, params.path + params.sim_data_path);