From 0bea180fc6e24bde8f994dcfbd2184619825c2c8 Mon Sep 17 00:00:00 2001
From: eginer <giner.emmanuel@gmail.com>
Date: Sun, 30 Oct 2022 12:20:30 +0100
Subject: [PATCH] removed the angle minimization after the diagonalization of
 tc mat

---
 src/tc_bi_ortho/save_tc_bi_ortho_nat.irp.f | 1 +
 1 file changed, 1 insertion(+)

diff --git a/src/tc_bi_ortho/save_tc_bi_ortho_nat.irp.f b/src/tc_bi_ortho/save_tc_bi_ortho_nat.irp.f
index 9a883ece..8b6eb1d1 100644
--- a/src/tc_bi_ortho/save_tc_bi_ortho_nat.irp.f
+++ b/src/tc_bi_ortho/save_tc_bi_ortho_nat.irp.f
@@ -12,6 +12,7 @@
    touch  my_grid_becke my_n_pt_r_grid my_n_pt_a_grid
    call print_energy_and_mos
    call save_tc_natorb
+!   call minimize_tc_orb_angles
  end
  
  subroutine save_tc_natorb