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Printing determinants with Nint > 1

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This commit is contained in:
Anthony Scemama 2014-10-29 00:50:59 +01:00
parent b74a8f1035
commit b45b950717
3 changed files with 7 additions and 3 deletions
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4
ocaml/Bitlist.ml
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@ -58,8 +58,8 @@ let to_int64 l =
(* Create a bit list from a list of int64 *) (* Create a bit list from a list of int64 *)
let of_int64_list l = let of_int64_list l =
let list_of_lists = List.map of_int64 l in let list_of_lists = List.map of_int64 l in
let result = List.rev list_of_lists in (* let result = List.rev list_of_lists in *)
List.flatten result List.flatten list_of_lists
;; ;;
(* Compute n_int *) (* Compute n_int *)

2
ocaml/Determinant.ml
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@ -41,7 +41,7 @@ let bitlist_to_string ~mo_tot_num x =
| Bit.Zero -> "-" | Bit.Zero -> "-"
| Bit.One -> "+" ) | Bit.One -> "+" )
|> String.concat |> String.concat
|> String.sub ~pos:0 ~len:(MO_number.to_int mo_tot_num) |> String.sub ~pos:0 ~len:(MO_number.to_int mo_tot_num)
;; ;;
let to_string ~mo_tot_num x = let to_string ~mo_tot_num x =

4
ocaml/Input_nuclei.ml
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@ -12,6 +12,7 @@ module Nuclei : sig
;; ;;
val read : unit -> t val read : unit -> t
val debug : t -> string val debug : t -> string
val to_string : t -> string
end = struct end = struct
type t = type t =
{ nucl_num : Nucl_number.t ; { nucl_num : Nucl_number.t ;
@ -79,7 +80,10 @@ nucl_coord = %s
~f:(Charge.to_string) |> String.concat ~sep:", " ) ~f:(Charge.to_string) |> String.concat ~sep:", " )
(b.nucl_coord |> Array.to_list |> List.map (b.nucl_coord |> Array.to_list |> List.map
~f:(Point3d.to_string Units.Bohr) |> String.concat ~sep:"\n" ) ~f:(Point3d.to_string Units.Bohr) |> String.concat ~sep:"\n" )
;;
let to_string = debug
;;
end end