From fcf46af6002af165d50e0f8a75a224c5bda1c2d8 Mon Sep 17 00:00:00 2001
From: Pierre-Francois Loos <pierrefrancois.loos@gmail.com>
Date: Mon, 13 Dec 2021 14:30:49 +0100
Subject: [PATCH] modif QuAcK for ppURPA

---
 src/QuAcK/QuAcK.f90 | 10 +++++++++-
 1 file changed, 9 insertions(+), 1 deletion(-)

diff --git a/src/QuAcK/QuAcK.f90 b/src/QuAcK/QuAcK.f90
index edaa4ab..c6b0444 100644
--- a/src/QuAcK/QuAcK.f90
+++ b/src/QuAcK/QuAcK.f90
@@ -824,7 +824,15 @@ program QuAcK
   if(doppRPA) then
 
     call cpu_time(start_RPA)
-    call ppRPA(TDA,doACFDT,singlet,triplet,nBas,nC,nO,nV,nR,ENuc,ERHF,ERI_MO,eHF)
+    if(unrestricted) then 
+
+      call ppURPA(TDA,doACFDT,spin_conserved,spin_flip,nBas,nC,nO,nV,nR,ENuc,EUHF,ERI_MO_aaaa,ERI_MO_aabb,ERI_MO_bbbb,eHF)
+
+    else
+
+      call ppRPA(TDA,doACFDT,singlet,triplet,nBas,nC,nO,nV,nR,ENuc,ERHF,ERI_MO,eHF)
+
+    end if
     call cpu_time(end_RPA)
 
     t_RPA = end_RPA - start_RPA