2018-05-31 16:46:45 +02:00
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(** Guess for Hartree-Fock calculations. *)
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type guess =
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| Hcore of Lacaml.D.Mat.t
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| Huckel of Lacaml.D.Mat.t
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type t = guess
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2018-06-13 17:49:58 +02:00
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val make : ?nocc:int -> guess:[ `Hcore | `Huckel ] -> AOBasis.t -> t
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2018-05-31 16:46:45 +02:00
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