Optimized parallel ERI

Basis/ERI.ml

@@ -300,8 +300,8 @@ let of_basis_parallel basis =
                 result := (store_class_parallel ~cutoff cspc cls) :: !result;
             | None -> ()
           ) shell_pairs;
-        List.concat !result
-      with Exit -> List.concat !result
+        raise Exit
+      with Exit -> List.concat !result |> Array.of_list
   in
 
   (*
@@ -319,9 +319,9 @@ let of_basis_parallel basis =
     else
       Fis.create ~size:0 `Dense
   in
-  Farm.run f input_stream
+  Farm.run ~ordered:false ~f input_stream
   |> Stream.iter (fun l ->
-     List.iter (fun (i_c,j_c,k_c,l_c,value) ->
+     Array.iter (fun (i_c,j_c,k_c,l_c,value) ->
       set_chem eri_array i_c j_c k_c l_c value) l);
   if not Parallel.master then
     exit 0;

Simulation.ml

@@ -13,7 +13,6 @@ let make ?cartesian:(cartesian=false)
          ~nuclei
          basis
   =
-  Printf.eprintf "Evaluating Simulation\n%!";
 
   (* Tune Garbage Collector *)
   let gc = Gc.get () in