From 687c0232845bc4427928d189918310b16984c83e Mon Sep 17 00:00:00 2001
From: Anthony Scemama <scemama@irsamc.ups-tlse.fr>
Date: Sat, 3 Feb 2018 18:53:44 +0100
Subject: [PATCH] Fixed. Correct with QP

---
 Basis/TwoElectronRR.ml           | 8 +++++---
 Basis/TwoElectronRRVectorized.ml | 6 +++---
 2 files changed, 8 insertions(+), 6 deletions(-)

diff --git a/Basis/TwoElectronRR.ml b/Basis/TwoElectronRR.ml
index 8988312..0b09d07 100644
--- a/Basis/TwoElectronRR.ml
+++ b/Basis/TwoElectronRR.ml
@@ -1,6 +1,8 @@
 open Util
 open Constants
 
+let debug=false
+
 let cutoff2 = cutoff *. cutoff
 
 exception NullQuartet
@@ -15,6 +17,7 @@ let hvrr_two_e (angMom_a, angMom_b, angMom_c, angMom_d)
     map_1d map_2d
   =
 
+  let maxsze = maxm+1 in
   let totAngMom_a = Angular_momentum.to_int totAngMom_a
   and totAngMom_b = Angular_momentum.to_int totAngMom_b
   and totAngMom_c = Angular_momentum.to_int totAngMom_c
@@ -36,7 +39,6 @@ let hvrr_two_e (angMom_a, angMom_b, angMom_c, angMom_d)
     (Coordinate.coord center_pq 0) (Coordinate.coord center_pq 1) (Coordinate.coord center_pq 2)
   end;
 
-<<<<<<< HEAD
   (** Vertical recurrence relations *)
   let rec vrr0 angMom_a totAngMom_a = 
     if debug then
@@ -194,9 +196,9 @@ let hvrr_two_e (angMom_a, angMom_b, angMom_c, angMom_d)
             let angMom_ax, angMom_ay, angMom_az = angMom_a in
             let ap, xyz =
               match angMom_b with
-              | (_,_,1) -> (angMom_ax,angMom_ay,angMom_az+1), 2
+              | (1,_,_) -> (angMom_ax+1,angMom_ay,angMom_az), 0
               | (_,1,_) -> (angMom_ax,angMom_ay+1,angMom_az), 1 
-              | _       -> (angMom_ax+1,angMom_ay,angMom_az), 0
+              | _       -> (angMom_ax,angMom_ay,angMom_az+1), 2
             in
             let v1 = 
               vrr ap angMom_c (totAngMom_a+1) totAngMom_c
diff --git a/Basis/TwoElectronRRVectorized.ml b/Basis/TwoElectronRRVectorized.ml
index 5efdf0b..e0260ab 100644
--- a/Basis/TwoElectronRRVectorized.ml
+++ b/Basis/TwoElectronRRVectorized.ml
@@ -222,9 +222,9 @@ let hvrr_two_e_vector (angMom_a, angMom_b, angMom_c, angMom_d)
       and (abx, aby, abz) = angMom_b in
       let bxyz, xyz =
 	    match angMom_b with
-	    | (_,_,1) -> abz, 2
-	    | (_,1,_) -> aby, 1
-	    | (_,_,_) -> abx, 0
+	    | (0,0,_) -> abz, 2
+	    | (0,_,_) -> aby, 1
+	    | _       -> abx, 0
       in
       if (bxyz < 1) then empty else
 	let ap, bm =