LCPQ/QCaml
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Introduced TRR for maxm>10

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This commit is contained in:
Anthony Scemama 2018-02-22 01:48:30 +01:00
parent 90481d296b
commit 82561b2420
3 changed files with 3 additions and 3 deletions
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2
Basis/TwoElectronRR.ml
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@ -222,7 +222,7 @@ let rec hvrr_two_e (angMom_a, angMom_b, angMom_c, angMom_d)
in
let vrr a c =
if maxm < 40 then (vrr a c).(0) else trr a c
if maxm < 10 then (vrr a c).(0) else trr a c
in

2
Basis/TwoElectronRRVectorized.ml
View File

@ -463,7 +463,7 @@ let hvrr_two_e_vector (angMom_a, angMom_b, angMom_c, angMom_d)
let vrr_v a b =
let v =
if Array.length zero_m_array < 20 then vrr_v 0 a b
if Array.length zero_m_array < 10 then vrr_v 0 a b
else trr_v a b
in
match v with

2
Utils/Zkey.ml
View File

@ -179,7 +179,7 @@ let to_powers ~kind { left ; right } =
let hash = Hashtbl.hash
let hash = Hashtbl.hash
let equal
{ right = r1 ; left = l1 }