From bfe52ed56f9bf1f90a8e8acb04f1c39abe038c37 Mon Sep 17 00:00:00 2001
From: Emmanuel Giner LCT <eginer@obelixdev.local>
Date: Thu, 26 Sep 2019 17:03:47 +0200
Subject: [PATCH] fixed bug in HF_exchange

---
 src/dft_one_e/e_xc_general.irp.f | 2 +-
 src/dft_one_e/pot_general.irp.f  | 4 ++--
 2 files changed, 3 insertions(+), 3 deletions(-)

diff --git a/src/dft_one_e/e_xc_general.irp.f b/src/dft_one_e/e_xc_general.irp.f
index dc8b9d9a..fc9f9fd2 100644
--- a/src/dft_one_e/e_xc_general.irp.f
+++ b/src/dft_one_e/e_xc_general.irp.f
@@ -15,7 +15,7 @@ prefix = ""
 for f in functionals:
   print """
   %sif (trim(exchange_functional) == '%s') then
-    energy_x = energy_x_%s"""%(prefix, f, f)
+    energy_x = (1.d0 - HF_exchange ) * energy_x_%s"""%(prefix, f, f)
   prefix = "else "
 print """
   else
diff --git a/src/dft_one_e/pot_general.irp.f b/src/dft_one_e/pot_general.irp.f
index 237af8c0..2f45a464 100644
--- a/src/dft_one_e/pot_general.irp.f
+++ b/src/dft_one_e/pot_general.irp.f
@@ -17,8 +17,8 @@ prefix = ""
 for f in functionals:
   print """
   %sif (trim(exchange_functional) == '%s') then
-    potential_x_alpha_ao = potential_x_alpha_ao_%s
-    potential_x_beta_ao  = potential_x_beta_ao_%s"""%(prefix, f, f, f)
+    potential_x_alpha_ao = ( 1.d0 - HF_exchange ) * potential_x_alpha_ao_%s
+    potential_x_beta_ao  = ( 1.d0 - HF_exchange ) * potential_x_beta_ao_%s"""%(prefix, f, f, f)
   prefix = "else "
 print """
   else