From 6d4975041201aab26f3dd6a4f019b6eeaa189822 Mon Sep 17 00:00:00 2001
From: Abdallah Ammar <abd.ammar.phys@gmail.com>
Date: Sun, 7 May 2023 18:52:03 +0200
Subject: [PATCH] rotate lr angles separately

---
 src/tc_scf/minimize_tc_angles.irp.f | 4 ++++
 src/tc_scf/tc_scf.irp.f             | 2 +-
 2 files changed, 5 insertions(+), 1 deletion(-)

diff --git a/src/tc_scf/minimize_tc_angles.irp.f b/src/tc_scf/minimize_tc_angles.irp.f
index 1363e62b..5d3ff7f0 100644
--- a/src/tc_scf/minimize_tc_angles.irp.f
+++ b/src/tc_scf/minimize_tc_angles.irp.f
@@ -8,6 +8,10 @@ program print_angles
   my_n_pt_a_grid = 50
   touch my_n_pt_r_grid my_n_pt_a_grid
 !  call sort_by_tc_fock
+
+  ! TODO
+  ! check if rotations of orbitals affect the TC energy
+  ! and refuse the step
   call minimize_tc_orb_angles
 end
 
diff --git a/src/tc_scf/tc_scf.irp.f b/src/tc_scf/tc_scf.irp.f
index 88ddd26c..2485ee8b 100644
--- a/src/tc_scf/tc_scf.irp.f
+++ b/src/tc_scf/tc_scf.irp.f
@@ -53,7 +53,7 @@ program tc_scf
       stop
     endif
 
-    call minimize_tc_orb_angles()
+    !call minimize_tc_orb_angles()
 
   endif