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13 lines
403 B
OCaml
13 lines
403 B
OCaml
(** Data structure representing the output of a Hartree-Fock caculation *)
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type t =
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{
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guess : Guess.t; (** Initial guess *)
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eigenvectors : Lacaml.D.Mat.t ; (** Final eigenvectors *)
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eigenvalues : Lacaml.D.Vec.t ; (** Final eigenvalues *)
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energy : float ; (** Final energy *)
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iterations : float array; (** Energies of all iterations *)
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}
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