mirror of
https://github.com/QuantumPackage/qp2.git
synced 2024-08-16 17:28:32 +02:00
113 lines
2.5 KiB
OCaml
113 lines
2.5 KiB
OCaml
(* =~=~ *)
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(* Init *)
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(* =~=~ *)
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open Qptypes;;
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open Qputils;;
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open Sexplib.Std;;
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module Cassd : sig
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(* Generate type *)
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type t =
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{
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do_ddci : bool;
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do_only_1h1p : bool;
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} [@@deriving sexp]
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;;
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val read : unit -> t option
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val write : t-> unit
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val to_string : t -> string
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val to_rst : t -> Rst_string.t
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val of_rst : Rst_string.t -> t option
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end = struct
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(* Generate type *)
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type t =
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{
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do_ddci : bool;
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do_only_1h1p : bool;
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} [@@deriving sexp]
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;;
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let get_default = Qpackage.get_ezfio_default "cassd";;
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(* =~=~=~=~=~=~==~=~=~=~=~=~ *)
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(* Generate Special Function *)
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(* =~=~=~==~=~~=~=~=~=~=~=~=~ *)
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(* Read snippet for do_ddci *)
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let read_do_ddci () =
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if not (Ezfio.has_cassd_do_ddci ()) then
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get_default "do_ddci"
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|> bool_of_string
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|> Ezfio.set_cassd_do_ddci
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;
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Ezfio.get_cassd_do_ddci ()
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;;
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(* Write snippet for do_ddci *)
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let write_do_ddci =
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Ezfio.set_cassd_do_ddci
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;;
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(* Read snippet for do_only_1h1p *)
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let read_do_only_1h1p () =
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if not (Ezfio.has_cassd_do_only_1h1p ()) then
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get_default "do_only_1h1p"
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|> bool_of_string
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|> Ezfio.set_cassd_do_only_1h1p
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;
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Ezfio.get_cassd_do_only_1h1p ()
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;;
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(* Write snippet for do_only_1h1p *)
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let write_do_only_1h1p =
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Ezfio.set_cassd_do_only_1h1p
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;;
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(* =~=~=~=~=~=~=~=~=~=~=~=~ *)
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(* Generate Global Function *)
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(* =~=~=~=~=~=~=~=~=~=~=~=~ *)
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(* Read all *)
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let read() =
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Some
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{
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do_ddci = read_do_ddci ();
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do_only_1h1p = read_do_only_1h1p ();
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}
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;;
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(* Write all *)
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let write{
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do_ddci;
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do_only_1h1p;
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} =
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write_do_ddci do_ddci;
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write_do_only_1h1p do_only_1h1p;
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;;
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(* to_string*)
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let to_string b =
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Printf.sprintf "
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do_ddci = %s
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do_only_1h1p = %s
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"
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(string_of_bool b.do_ddci)
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(string_of_bool b.do_only_1h1p)
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;;
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(* to_rst*)
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let to_rst b =
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Printf.sprintf "
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If true, remove purely inactive double excitations ::
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do_ddci = %s
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If true, do only one hole/one particle excitations ::
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do_only_1h1p = %s
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"
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(string_of_bool b.do_ddci)
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(string_of_bool b.do_only_1h1p)
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|> Rst_string.of_string
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;;
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include Generic_input_of_rst;;
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let of_rst = of_rst t_of_sexp;;
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end |