From 2ae07e13df6b1e98625924eab1c5a7ddb617f5bf Mon Sep 17 00:00:00 2001
From: Anthony Scemama <scemama@irsamc.ups-tlse.fr>
Date: Thu, 22 Feb 2018 09:57:43 +0100
Subject: [PATCH] Removed TRR

---
 Basis/TwoElectronRR.ml           | 9 ++++++---
 Basis/TwoElectronRRVectorized.ml | 5 +++++
 2 files changed, 11 insertions(+), 3 deletions(-)

diff --git a/Basis/TwoElectronRR.ml b/Basis/TwoElectronRR.ml
index c92e5d0..6aefaa2 100644
--- a/Basis/TwoElectronRR.ml
+++ b/Basis/TwoElectronRR.ml
@@ -159,7 +159,7 @@ let rec hvrr_two_e (angMom_a, angMom_b, angMom_c, angMom_d)
           in Zmap.add map_2d key result;
           result
 
-
+(*
     and trr angMom_a angMom_c =
 
       match (angMom_a.tot, angMom_c.tot) with
@@ -218,11 +218,14 @@ let rec hvrr_two_e (angMom_a, angMom_b, angMom_c, angMom_d)
 
 
 
-
+*)
     in
 
     let vrr a c = 
+        (vrr a c).(0)
+        (*
         if maxm < 10 then (vrr a c).(0) else trr a c
+        *)
     in
 
 
@@ -238,7 +241,7 @@ let rec hvrr_two_e (angMom_a, angMom_b, angMom_c, angMom_d)
         if (abs_float f2 < cutoff) then v1 else
             let v2 = vrr angMom_a angMom_c in
             v1 +. f2 *. v2
-      | 0 -> trr angMom_a angMom_c
+      | 0 -> vrr angMom_a angMom_c
       | _ ->
         let xyz  = get_xyz angMom_b in
         let bxyz = Powers.get xyz angMom_b in
diff --git a/Basis/TwoElectronRRVectorized.ml b/Basis/TwoElectronRRVectorized.ml
index dc612ba..d66dfb8 100644
--- a/Basis/TwoElectronRRVectorized.ml
+++ b/Basis/TwoElectronRRVectorized.ml
@@ -329,6 +329,7 @@ let hvrr_two_e_vector (angMom_a, angMom_b, angMom_c, angMom_d)
         result
 
 
+(*
   and trr_v angMom_a angMom_c =
 
     match (angMom_a.tot, angMom_c.tot) with
@@ -455,6 +456,7 @@ let hvrr_two_e_vector (angMom_a, angMom_b, angMom_c, angMom_d)
             in
             Zmap.add map_2d.(0) key result;
             result
+*)
   in
 
   let sum matrix =
@@ -463,8 +465,11 @@ let hvrr_two_e_vector (angMom_a, angMom_b, angMom_c, angMom_d)
 
   let vrr_v a b = 
     let v = 
+      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 
       | None -> 0.