(** Orthonormalization of the basis. *) open Gaussian open Linear_algebra type t = (Basis.t, Basis.t) Matrix.t val make: ?thresh:float -> ?basis:Basis.t -> cartesian:bool -> Overlap.t -> t (** Returns a matrix or orthonormal vectors in the basis. The vectors are linearly independent up to a threshold [thresh]. If [cartesian] is [false], the [basis] argument needs to be given and the space spanned by the vectors is the same as the space spanned by the basis in spherical coordinates (5d,7f,...). *) val make_lowdin: thresh:float -> overlap:Overlap.t -> t (** Lowdin orthonormalization *)