mirror of
https://github.com/LCPQ/quantum_package
synced 2024-08-25 05:51:46 +02:00
Printing determinants with Nint > 1
This commit is contained in:
parent
b74a8f1035
commit
b45b950717
@ -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 *)
|
||||
|
@ -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 =
|
||||
|
@ -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
|
||||
|
||||
|
||||
|
Loading…
Reference in New Issue
Block a user