mirror of
https://gitlab.com/scemama/QCaml.git
synced 2024-12-27 14:53:32 +01:00
13 lines
475 B
OCaml
13 lines
475 B
OCaml
|
(** Orthonormalization of the basis. *)
|
||
|
|
|
||
|
|
type t = Lacaml.D.Mat.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,...).
|
||
|
|
*)
|
||
|
|
|