mirror of https://gitlab.com/scemama/QCaml.git
31 lines
682 B
OCaml
31 lines
682 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 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 ~basis shell_pair_couple =
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let f12 =
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match Basis.f12 basis with
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| Some f12 -> f12
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| None -> invalid_arg "f12 factor should not be None"
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in
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let g = f12.F12factor.gaussian in
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F12RR.contracted_class_shell_pair_couple ~basis
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g.GaussianOperator.expo_g_inv
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g.GaussianOperator.coef_g
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shell_pair_couple
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end
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module M = TwoElectronIntegrals.Make(T)
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include M
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