From 8459b325ee3a6b02d05fd202e32aaa4172004dc6 Mon Sep 17 00:00:00 2001
From: Anthony Scemama <scemama@irsamc.ups-tlse.fr>
Date: Mon, 6 Mar 2017 13:18:53 +0100
Subject: [PATCH] Convergence mrcc

---
 plugins/MRCC_Utils/mrcc_utils.irp.f | 11 +++++++----
 1 file changed, 7 insertions(+), 4 deletions(-)

diff --git a/plugins/MRCC_Utils/mrcc_utils.irp.f b/plugins/MRCC_Utils/mrcc_utils.irp.f
index 79d139cf..8fd51afe 100644
--- a/plugins/MRCC_Utils/mrcc_utils.irp.f
+++ b/plugins/MRCC_Utils/mrcc_utils.irp.f
@@ -790,13 +790,16 @@ END_PROVIDER
       resold = res
       
       if(iand(k, 127) == 0) then
-        print *, "res ", k, res
-      end if
+        print *, k, res, 1.d0 - res/resold
+      endif
       
-      if(res < 1d-10) exit
+      if ( (res < 1d-10).or.(res/resold > 0.99d0) ) then
+        exit
+      endif
+
     end do
     dIj_unique(1:size(X), s) = X(1:size(X))
-    print *, "res ", k, res
+    print *, k, res, 1.d0 - res/resold
 
   enddo