From 14841c5a6f84a0b12c45cd5716507fbf5e2b6a23 Mon Sep 17 00:00:00 2001
From: ydamour <yann.damour@hotmail.fr>
Date: Tue, 8 Nov 2022 10:20:59 +0100
Subject: [PATCH] remove debug

---
 src/utils_trust_region/apply_mo_rotation.irp.f       | 12 ++++++------
 src/utils_trust_region/apply_mo_rotation.org         | 12 ++++++------
 src/utils_trust_region/pi.h                          |  2 +-
 .../trust_region_optimal_lambda.irp.f                |  8 ++++----
 .../trust_region_optimal_lambda.org                  |  6 +++---
 5 files changed, 20 insertions(+), 20 deletions(-)

diff --git a/src/utils_trust_region/apply_mo_rotation.irp.f b/src/utils_trust_region/apply_mo_rotation.irp.f
index 42aac5f7..e274ec11 100644
--- a/src/utils_trust_region/apply_mo_rotation.irp.f
+++ b/src/utils_trust_region/apply_mo_rotation.irp.f
@@ -60,12 +60,12 @@ subroutine apply_mo_rotation(R,prev_mos)
   prev_mos = mo_coef
   mo_coef = new_mos
 
-  if (debug) then  
-    print*,'New mo_coef : '
-    do i = 1, mo_num
-      write(*,'(100(F10.5))') mo_coef(i,:)
-    enddo
-  endif
+  !if (debug) then  
+  !  print*,'New mo_coef : '
+  !  do i = 1, mo_num
+  !    write(*,'(100(F10.5))') mo_coef(i,:)
+  !  enddo
+  !endif
 
   ! Save the new MOs and change the label
   mo_label = 'MCSCF'
diff --git a/src/utils_trust_region/apply_mo_rotation.org b/src/utils_trust_region/apply_mo_rotation.org
index 79346119..918581b7 100644
--- a/src/utils_trust_region/apply_mo_rotation.org
+++ b/src/utils_trust_region/apply_mo_rotation.org
@@ -60,12 +60,12 @@ subroutine apply_mo_rotation(R,prev_mos)
   prev_mos = mo_coef
   mo_coef = new_mos
 
-  if (debug) then  
-    print*,'New mo_coef : '
-    do i = 1, mo_num
-      write(*,'(100(F10.5))') mo_coef(i,:)
-    enddo
-  endif
+  !if (debug) then  
+  !  print*,'New mo_coef : '
+  !  do i = 1, mo_num
+  !    write(*,'(100(F10.5))') mo_coef(i,:)
+  !  enddo
+  !endif
 
   ! Save the new MOs and change the label
   mo_label = 'MCSCF'
diff --git a/src/utils_trust_region/pi.h b/src/utils_trust_region/pi.h
index 2c36a9f0..bbfabfec 100644
--- a/src/utils_trust_region/pi.h
+++ b/src/utils_trust_region/pi.h
@@ -1,2 +1,2 @@
-  logical, parameter :: debug=.False.
+  !logical, parameter :: debug=.False.
   double precision, parameter :: pi = 3.1415926535897932d0
diff --git a/src/utils_trust_region/trust_region_optimal_lambda.irp.f b/src/utils_trust_region/trust_region_optimal_lambda.irp.f
index f007a860..85e7bf2a 100644
--- a/src/utils_trust_region/trust_region_optimal_lambda.irp.f
+++ b/src/utils_trust_region/trust_region_optimal_lambda.irp.f
@@ -214,7 +214,7 @@ subroutine trust_region_optimal_lambda(n,e_val,tmp_wtg,delta,lambda)
 ! Resolution with the Newton method:
 
 
-! Initialization
+  ! Initialization
   epsilon = 1d-4
   lambda =MAX(0d0, -e_val(1))
   
@@ -295,9 +295,9 @@ subroutine trust_region_optimal_lambda(n,e_val,tmp_wtg,delta,lambda)
   print*, 'w_1^T . g =', tmp_wtg(1)
 
   ! Debug
-  if (debug) then
-      print*, 'Iteration    rho_2    lambda    delta  ||x||  |1-(||x||^2/delta^2)|'
-  endif
+  !if (debug) then
+  !    print*, 'Iteration    rho_2    lambda    delta  ||x||  |1-(||x||^2/delta^2)|'
+  !endif
 
   ! Initialization  
   i = 1
diff --git a/src/utils_trust_region/trust_region_optimal_lambda.org b/src/utils_trust_region/trust_region_optimal_lambda.org
index 39173f5d..b39c9a10 100644
--- a/src/utils_trust_region/trust_region_optimal_lambda.org
+++ b/src/utils_trust_region/trust_region_optimal_lambda.org
@@ -294,9 +294,9 @@ Resolution with the Newton method:
   print*, 'w_1^T . g =', tmp_wtg(1)
 
   ! Debug
-  if (debug) then
-      print*, 'Iteration    rho_2    lambda    delta  ||x||  |1-(||x||^2/delta^2)|'
-  endif
+  !if (debug) then
+  !    print*, 'Iteration    rho_2    lambda    delta  ||x||  |1-(||x||^2/delta^2)|'
+  !endif
 
   ! Initialization  
   i = 1