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mirror of https://github.com/LCPQ/quantum_package synced 2024-07-22 10:47:33 +02:00

Printing determinants with Nint > 1

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

View File

@ -58,8 +58,8 @@ let to_int64 l =
(* Create a bit list from a list of int64 *)
let of_int64_list l =
let list_of_lists = List.map of_int64 l in
let result = List.rev list_of_lists in
List.flatten result
(* let result = List.rev list_of_lists in *)
List.flatten list_of_lists
;;
(* Compute n_int *)

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@ -41,7 +41,7 @@ let bitlist_to_string ~mo_tot_num x =
| Bit.Zero -> "-"
| Bit.One -> "+" )
|> 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 =

View File

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