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QCaml/gaussian_integrals/lib/matrix_on_basis.mli

22 lines
526 B
OCaml

(** Signature for matrices built on the {!Basis.t} *)
open Qcaml_gaussian_basis
open Qcaml_linear_algebra
type t = (Basis.t, Basis.t) Matrix.t
val of_basis : Basis.t -> t
(** Build from a {!Basis.t}. *)
val of_basis_pair : Basis.t -> Basis.t -> t
(** Build from a pair of {!Basis.t}. *)
val to_file : filename:string -> t -> unit
(** Write the integrals in a file. *)
val matrix : t -> (Basis.t, Basis.t) Matrix.t
(** Returns the matrix. *)
val of_matrix : (Basis.t, Basis.t) Matrix.t -> t
(** Build from a matrix. *)