(** Data structure representing the output of a Hartree-Fock caculation *) type t = { guess : Guess.t; (** Initial guess *) eigenvectors : Lacaml.D.Mat.t ; (** Final eigenvectors *) eigenvalues : Lacaml.D.Vec.t ; (** Final eigenvalues *) energy : float ; (** Final energy *) iterations : float array; (** Energies of all iterations *) }