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AngularMomentum has + and -
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@ -87,8 +87,8 @@ let create ?cutoff p_a p_b =
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Cs.(center p_a = center p_b)
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in
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let totAngMomInt =
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Am.to_int (Cs.totAngMom p_a) +
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Am.to_int (Cs.totAngMom p_b)
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Am.(Cs.totAngMom p_a + Cs.totAngMom p_b)
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|> Am.to_int
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in
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Some {
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Sp.i ; j ;
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@ -101,7 +101,8 @@ let contracted_class_shell_pair ~zero_m shell_p geometry : float Zmap.t =
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and shell_b = Csp.shell_b shell_p
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in
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let maxm =
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Am.to_int (Cs.totAngMom shell_a) + Am.to_int (Cs.totAngMom shell_b)
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Am.(Cs.totAngMom shell_a + Cs.totAngMom shell_b)
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|> Am.to_int
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in
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(* Pre-computation of integral class indices *)
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@ -144,3 +144,10 @@ let zkey_array a =
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Hashtbl.add zkey_array_memo a result;
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result
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let ( + ) a b =
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of_int ( (to_int a) + (to_int b) )
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let ( - ) a b =
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of_int ( (to_int a) - (to_int b) )
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@ -85,3 +85,7 @@ val zkey_array : kind -> Zkey.t array
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]}
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*)
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val ( + ) : t -> t -> t
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val ( - ) : t -> t -> t
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