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https://gitlab.com/scemama/qmcchem.git
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Fixing walkers
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parent
2cc2d713bc
commit
0485afda6f
@ -218,7 +218,7 @@ let run ?(daemon=true) ezfio_filename =
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(** Last time when the walkers were saved to disk. *)
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(** Last time when the walkers were saved to disk. *)
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let last_save_walkers =
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let last_save_walkers =
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ref (Unix.gettimeofday ())
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ref 0.
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in
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in
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@ -226,20 +226,20 @@ let run ?(daemon=true) ezfio_filename =
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let save_walkers () =
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let save_walkers () =
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if (delta_t !last_save_walkers > 10. ) then
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if (delta_t !last_save_walkers > 10. ) then
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begin
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begin
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let t0 =
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Unix.gettimeofday ()
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in
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Ezfio.set_electrons_elec_coord_pool_size walk_num_tot ;
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Ezfio.set_electrons_elec_coord_pool_size walk_num_tot ;
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let walkers_list =
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let walkers_list =
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Array.map Array.to_list walkers_array
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Array.map Array.to_list walkers_array
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|> Array.to_list
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|> Array.to_list
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|> List.concat
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|> List.concat
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|> List.map float_of_string
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|> List.map float_of_string
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in
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in
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Ezfio.set_electrons_elec_coord_pool (Ezfio.ezfio_array_of_list
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Ezfio.set_electrons_elec_coord_pool (Ezfio.ezfio_array_of_list
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~rank:3 ~dim:[| elec_num+1 ; 3 ; walk_num_tot |] ~data:walkers_list);
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~rank:3 ~dim:[| elec_num+1 ; 3 ; walk_num_tot |] ~data:walkers_list);
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let t0 =
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Unix.gettimeofday ()
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in
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send_log "status" walk_num_tot t0 "Saved walkers";
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send_log "status" walk_num_tot t0 "Saved walkers";
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last_save_walkers := Unix.gettimeofday ();
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last_save_walkers := t0 ;
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end
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end
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in
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in
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@ -737,10 +737,6 @@ let run ?(daemon=true) ezfio_filename =
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recv_log log_msg ;
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recv_log log_msg ;
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for i=0 to ((Array.length w)-1)
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for i=0 to ((Array.length w)-1)
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do
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do
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(*
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Array.replace walkers_array (!last_walker) (fun _ -> Array.map
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string_of_float w.(i));
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*)
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walkers_array.(!last_walker) <- Array.map string_of_float w.(i);
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walkers_array.(!last_walker) <- Array.map string_of_float w.(i);
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increment_last_walker ();
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increment_last_walker ();
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done;
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done;
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@ -776,6 +772,7 @@ let run ?(daemon=true) ezfio_filename =
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in handle msg
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in handle msg
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in
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in
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save_walkers ();
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(* Main loop *)
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(* Main loop *)
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while (!status <> Status.Stopped)
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while (!status <> Status.Stopped)
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do
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do
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