From 30ca1786beb40e2fa92fdb9a0f1140ff1cae917f Mon Sep 17 00:00:00 2001
From: Mauro Del Ben <mauro.delben@chem.uzh.ch>
Date: Fri, 24 Jan 2014 16:38:36 +0000
Subject: [PATCH] Never free HFX buffer in case numerical RI-MP2 stress tensor
 is required.

svn-origin-rev: 13498
---
 src/mp2.F | 6 +++++-
 1 file changed, 5 insertions(+), 1 deletion(-)

diff --git a/src/mp2.F b/src/mp2.F
index 721b9a7472..468cce37c0 100644
--- a/src/mp2.F
+++ b/src/mp2.F
@@ -360,7 +360,11 @@ MODULE mp2
       free_hfx_buffer=.TRUE.
       IF(calc_forces.AND.(.NOT.mp2_env%ri_mp2%free_hfx_buffer)) free_hfx_buffer=.FALSE.
     END IF
-    IF(qs_env%virial%pv_numer) free_hfx_buffer=.FALSE.
+    IF(qs_env%virial%pv_numer) THEN
+      ! in the case of numerical stress we don't have to free the HFX integrals
+      free_hfx_buffer=.FALSE.
+      mp2_env%ri_mp2%free_hfx_buffer=.FALSE.
+    END IF
     IF(free_hfx_buffer) THEN
       CALL timeset(routineN//"_free_hfx",handle2)
       CALL section_vals_get(hfx_sections,n_repetition=n_rep_hf,error=error)