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31 lines
540 B
OCaml
31 lines
540 B
OCaml
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open Qcaml_common
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open Qcaml_gaussian_basis
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type t =
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{
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expo_p_inv : float ;
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expo_q_inv : float ;
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norm_pq_sq : float ;
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maxm : int ;
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center_pq : Coordinate.t ;
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center_pa : Coordinate.t ;
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center_qc : Coordinate.t ;
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zero_m_func : t -> float array ;
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basis : Basis.t ;
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}
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let zero basis zero_m_func =
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{
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zero_m_func ;
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basis ;
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maxm=0 ;
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expo_p_inv = 0.;
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expo_q_inv = 0.;
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norm_pq_sq = 0.;
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center_pq = Coordinate.zero ;
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center_pa = Coordinate.zero ;
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center_qc = Coordinate.zero ;
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}
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