struct gpr::GaussianProcessRegression::LaplacePosteriorSignatureΒΆ

struct LaplacePosteriorSignature {
    // fields
 
    LaplacePosteriorStamp stamp;
    int mpi_rank = 0;
    int mpi_size = 1;
    bool theta_includes_likelihood_noise = false;
    double sigma2_value = 0.0;
    double likelihood_sigma2 = 0.0;
    double jitter_sigma2_value = 0.0;
    Index_t atom_n_pt = 0;
    Eigen::VectorXd theta_star;
    Eigen::VectorXd const_parameters;
    Eigen::VectorXd lik_parameters;
    Eigen::Vector3d sexpat_gaussian_prior = Eigen::Vector3d::Zero();
    Eigen::Vector3d sexpat_sqrtt_prior = Eigen::Vector3d::Zero();
    EigenMatrix R_matrix_snapshot;
    Eigen::VectorXd R_indices_snapshot;
    Eigen::VectorXd y_train;
    Coord atom_positions;
    FieldMatrixU8 atom_is_frozen;
    FieldMatrixIdx atom_id;
    FieldMatrixi atom_atomic_nrs;
    FieldMatrixIdx atom_type;
    FieldMatrixi atom_pairtype;
    Coord atoms_froz_active_positions;
    FieldMatrixIdx atoms_froz_active_type;
    Coord atoms_froz_inactive_positions;
    FieldMatrixIdx atoms_froz_inactive_type;
    Coord atoms_mov_positions;
    FieldMatrixIdx atoms_mov_type;
 
    // methods
 
    bool matches(const LaplacePosteriorSignature& other) const;
};