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40 lines
1.2 KiB
OCaml
40 lines
1.2 KiB
OCaml
(* Type *)
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(* [[file:~/QCaml/gaussian/atomic_shell_pair_couple.org::*Type][Type:1]] *)
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type t
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open Common
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(* Type:1 ends here *)
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(* Access *)
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(* [[file:~/QCaml/gaussian/atomic_shell_pair_couple.org::*Access][Access:1]] *)
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val ang_mom : t -> Angular_momentum.t
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val atomic_shell_a : t -> Atomic_shell.t
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val atomic_shell_b : t -> Atomic_shell.t
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val atomic_shell_c : t -> Atomic_shell.t
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val atomic_shell_d : t -> Atomic_shell.t
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val atomic_shell_pair_p : t -> Atomic_shell_pair.t
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val atomic_shell_pair_q : t -> Atomic_shell_pair.t
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val contracted_shell_pair_couples : t -> Contracted_shell_pair_couple.t list
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val monocentric : t -> bool
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val norm_scales : t -> float array
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val zkey_array : t -> Zkey.t array
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(* Access:1 ends here *)
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(* Creation *)
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(* [[file:~/QCaml/gaussian/atomic_shell_pair_couple.org::*Creation][Creation:1]] *)
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val make : ?cutoff:float -> Atomic_shell_pair.t -> Atomic_shell_pair.t -> t option
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(* Creation:1 ends here *)
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(* Printers *)
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(* [[file:~/QCaml/gaussian/atomic_shell_pair_couple.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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