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33 lines
670 B
OCaml
33 lines
670 B
OCaml
(** Two electron integral functor for operators that are separable among %{ $(x,y,z)$ %}.
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It is parameterized by the [zero_m] function.
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*)
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open Common
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open Operators
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open Constants
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let cutoff = integrals_cutoff
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module T = struct
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let name = "F12"
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let class_of_contracted_shell_pair_couple ?operator shell_pair_couple =
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let g =
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match operator with
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| Some (Operator.F12 f) -> f.gaussian
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| _ -> failwith "Expected F12 operator"
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in
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F12_rr.contracted_class_shell_pair_couple
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g.Gaussian_operator.expo_g_inv
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g.Gaussian_operator.coef_g
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shell_pair_couple
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end
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module M = Two_electron_integrals.Make(T)
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include M
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