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;
};