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51 lines
1.0 KiB
OCaml
51 lines
1.0 KiB
OCaml
(* Simulation
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* :PROPERTIES:
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* :header-args: :noweb yes :comments both
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* :END:
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*
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* Contains the state of the simulation.
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*
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* #+NAME: open *)
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(* [[file:../simulation.org::open][open]] *)
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open Common
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open Particles
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open Operators
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(* open ends here *)
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(* Type
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*
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* #+NAME: types *)
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(* [[file:../simulation.org::types][types]] *)
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type t
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(* types ends here *)
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(* Access *)
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(* [[file:../simulation.org::*Access][Access:1]] *)
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val nuclei : t -> Nuclei.t
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val charge : t -> Charge.t
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val electrons : t -> Electrons.t
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val ao_basis : t -> Ao.Basis.t
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val nuclear_repulsion : t -> float
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val operators : t -> Operator.t list
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(* Access:1 ends here *)
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(* Creation *)
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(* [[file:../simulation.org::*Creation][Creation:1]] *)
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val make : ?multiplicity:int -> ?charge:int ->
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?operators:Operator.t list-> nuclei:Nuclei.t ->
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Ao.Basis.t -> t
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(* Creation:1 ends here *)
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(* Printers *)
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(* [[file:../simulation.org::*Printers][Printers:1]] *)
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val pp : Format.formatter -> t -> unit
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(* Printers:1 ends here *)
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