diff --git a/Basis/ERI.ml b/Basis/ERI.ml index 855a3bd..17a2506 100644 --- a/Basis/ERI.ml +++ b/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; diff --git a/Simulation.ml b/Simulation.ml index abe8ec5..3714255 100644 --- a/Simulation.ml +++ b/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