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Tuning

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Anthony Scemama 2018-02-23 15:02:23 +01:00
parent d56f1c0ff2
commit 738da438ea
1 changed files with 2 additions and 2 deletions
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Basis/ERI.ml
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@ -158,12 +158,12 @@ let of_basis basis =
(* Compute all the integrals of the class *)
let cls =
if swap then
if (Array.length sp) + (Array.length sq) = 2 then
if (Array.length sp) + (Array.length sq) < 4 then
contracted_class_shell_pairs ~schwartz_p:schwartz_q ~schwartz_q:schwartz_p shell_q shell_p
else
contracted_class_shell_pairs_vec ~schwartz_p:schwartz_q ~schwartz_q:schwartz_p shell_q shell_p
else
if (Array.length sp) + (Array.length sq) = 2 then
if (Array.length sp) + (Array.length sq) < 4 then
contracted_class_shell_pairs ~schwartz_p ~schwartz_q shell_p shell_q
else
contracted_class_shell_pairs_vec ~schwartz_p ~schwartz_q shell_p shell_q