Class DensityMixingConfig

cpp_core/src/scf.cpp:548–557

};

struct DensityMixingConfig {
    DensityMixingMode mode = DensityMixingMode::Linear;
    std::string scheme_label = "linear";
    int imix_effective = 0;
    double amix = 0.5;
    double bmix_ang_inv = 1.5;
    bool kerker_enabled = true;
    bool adaptive_linear_mixing = true;
    double kerker_q0_bohr_inv = 1.5 * BOHR_TO_ANG;
};

DensityMixingConfig resolve_density_mixing_config(const ScfSettings& settings) {
    DensityMixingConfig cfg;