Only 10k determinants max in qp_edit

ocaml/Bitlist.ml

@@ -79,6 +79,12 @@ let of_int64_list l =
   List.map ~f:of_int64 l 
   |> List.concat
 
+(* Create a bit list from an array of int64 *)
+let of_int64_array l = 
+  Array.map ~f:of_int64 l 
+  |> Array.to_list
+  |> List.concat
+
 
 (* Compute n_int *)
 let n_int_of_mo_tot_num mo_tot_num =

ocaml/Bitlist.mli

@@ -18,6 +18,7 @@ val of_int64 : int64 -> t
 val to_int64 : t -> int64
 
 val of_int64_list  : int64 list -> t
+val of_int64_array : int64 array -> t
 val to_int64_list  : t -> int64 list
 val to_int64_array : t -> int64 array
 

ocaml/Determinant.ml

@@ -15,21 +15,25 @@ let to_alpha_beta x =
 
 let to_bitlist_couple x =
   let (xa,xb) = to_alpha_beta x in
-  let xa = to_int64_array xa
-  |> Array.to_list
-  |> Bitlist.of_int64_list
-  and xb = to_int64_array xb
-  |> Array.to_list
-  |> Bitlist.of_int64_list
+  let xa =
+    to_int64_array xa
+    |> Bitlist.of_int64_array
+  and xb = 
+    to_int64_array xb
+    |> Bitlist.of_int64_array
   in (xa,xb)
 
 
 let bitlist_to_string ~mo_tot_num x =
-  List.map x ~f:(fun i -> match i with
-    | Bit.Zero -> "-"
-    | Bit.One  -> "+" )
+  let len = 
+    MO_number.to_int mo_tot_num
+  in
+  List.map x ~f:(function
+      | Bit.Zero -> "-"
+      | Bit.One  -> "+" 
+  )
   |> String.concat
-  |> String.sub ~pos:0 ~len:(MO_number.to_int mo_tot_num) 
+  |> String.sub ~pos:0 ~len 
 
 
 
@@ -71,8 +75,8 @@ let of_bitlist_couple ?n_int ~alpha ~beta (xa,xb) =
 
 let to_string ~mo_tot_num x = 
   let (xa,xb) = to_bitlist_couple x in
-  [ bitlist_to_string ~mo_tot_num:mo_tot_num xa ;
-    bitlist_to_string ~mo_tot_num:mo_tot_num xb ]
-  |> String.concat ~sep:"\n"
+  [ "  " ; bitlist_to_string ~mo_tot_num xa ; "\n" ;
+    "  " ; bitlist_to_string ~mo_tot_num xb ]
+  |> String.concat 
 
 

ocaml/Input_determinants_by_hand.ml

@@ -29,7 +29,7 @@ end = struct
 
   let get_default = Qpackage.get_ezfio_default "determinants";;
 
-  let n_det_read_max = 50_000_000 ;;
+  let n_det_read_max = 10_000 ;;
 
   let read_n_int () =
     if not (Ezfio.has_determinants_n_int()) then
@@ -258,11 +258,16 @@ end = struct
 
 
   let to_rst b =
-    let mo_tot_num = Ezfio.get_mo_basis_mo_tot_num () in
-    let mo_tot_num = MO_number.of_int mo_tot_num ~max:mo_tot_num in
+    let max =
+      Ezfio.get_mo_basis_mo_tot_num () 
+    in
+    let mo_tot_num =
+      MO_number.of_int ~max max
+    in
     let det_text = 
       let nstates =
-        read_n_states () |> States_number.to_int
+        read_n_states ()
+        |> States_number.to_int
       and ndet =
         Det_number.to_int b.n_det
       in
@@ -281,13 +286,9 @@ end = struct
         |> String.concat_array ~sep:"\t"
       in
       Array.init ndet ~f:(fun i ->
-        Printf.sprintf "  %s\n%s\n"
-          (coefs_string i)
-          (Determinant.to_string ~mo_tot_num:mo_tot_num b.psi_det.(i)
-           |> String.split ~on:'\n'
-           |> List.map ~f:(fun x -> "  "^x)
-           |> String.concat ~sep:"\n"
-          )
+        String.concat [ "  " ; 
+          (coefs_string i) ; "\n" ; 
+          (Determinant.to_string ~mo_tot_num b.psi_det.(i)) ; "\n" ]
       )
       |> String.concat_array ~sep:"\n"
     in