QCaml/CI/SpindeterminantSpace.mli

(**
The space built with determinants made with same-spin spinorbitals.
*)

type t

(** {1 Accessors} *)

val size : t -> int
(** Number of determinants in the space. *)

val spin_determinants : t -> Spindeterminant.t array
(** All the spin-determinants belonging to the space. *)

val elec_num : t -> int
(** Number of (same-spin) electrons occupying the MOs. *)

val mo_class : t -> MOClass.t
(** The MO classes used to generate the space. *)

val mo_basis : t -> MOBasis.t
(** The MO basis on which the determinants are expanded. *)


(** {1 Creation} *)

val fci_of_mo_basis : ?frozen_core:bool -> MOBasis.t -> int -> t
(** Create a space of all possible ways to put [n_elec] electrons in the [Active] MOs.
    All other MOs are untouched.
*)


(** {2 Printing} *)

val pp_spindet_space : Format.formatter -> t -> unit