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Working n f12
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@ -58,7 +58,14 @@ let f_ij mo_basis ki kj =
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|> List.hd
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let hf_ij mo_basis ki kj =
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(*
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[ h_ij mo_basis ki kj ; f_ij mo_basis ki kj ]
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*)
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let integrals =
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List.map (fun f -> f mo_basis)
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[ CI.h_integrals ; f12_integrals ]
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in
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CIMatrixElement.make integrals ki kj
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let is_a_double det_space =
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