Documentation

CI/Determinant.mli

@@ -0,0 +1,40 @@
+(** A Slater determinant is expressed as a Waller-Hartree double determinant:
+{% $$
+D(\mathbf{R}) = D_\alpha(\mathbf{R_\alpha}) \times D_\beta(\mathbf{R_\beta}) 
+$$ %}
+The {% $\alpha$ %} and {% $\beta$ %} determinants are of type [Spindeterminant.t].
+*)
+
+
+type t
+
+(** {1 Accessors} *)
+
+val alpha : t -> Spindeterminant.t
+(** Get the {% $\alpha$ %} spin-determinant. *)
+
+val beta : t -> Spindeterminant.t
+(** Get the {% $\beta$ %} spin-determinant. *)
+
+val phase : t -> Phase.t
+(** Get the phase of the Slater determinant, the product of the phases of the
+    spin-determinants.
+*)
+
+(** {1 Creators} *)
+
+val of_spindeterminants : Spindeterminant.t -> Spindeterminant.t -> t
+(** Creates a Slater determinant from an {% $\alpha$ %} and a {% $\beta$ %}
+    [Spindeterminant.t].
+*)
+
+val of_lists : int list -> int list -> t
+(** Creates a Slater determinant from a two lists of orbital indices.  *)
+
+(** {1 Printers} *)
+
+val pp_det : Format.formatter -> t -> unit
+
+(** {1 Unit tests} *)
+
+val test_case : unit -> (string * [> `Quick ] * (unit -> unit)) list

CI/Phase.mli

@@ -9,5 +9,6 @@ val add_nperm : t -> int -> t
 (** Add to an existing phase a given number of permutations. *)
 
 
-(** Formatters *)
+(** {1 Printers} *)
+
 val pp_phase : Format.formatter -> t -> unit

CI/Spindeterminant.mli

@@ -23,6 +23,7 @@ val is_none : t -> bool
 
 
 (** {1 Second quantization operators} *)
+
 val vac : t
 (** Vacuum state, [vac = Some ]{% $|\rangle$ %}  *)
 
@@ -40,11 +41,11 @@ val of_list : int list -> t
 val to_list : t -> int list
 (** Transforms a spin-determinant into a list of orbital indices. *)
 
-(** {2 Printers}. *)
+(** {1 Printers}. *)
 
 val pp_spindet : Format.formatter -> t -> unit
 
 
-(** {2 Unit testing} *)
+(** {1 Unit testing} *)
 
 val test_case : unit -> (string * [> `Quick ] * (unit -> unit)) list