From d07bbacd8c160ec1b3d43d0dc6529a26e0e886ed Mon Sep 17 00:00:00 2001
From: eginer <giner.emmanuel@gmail.com>
Date: Sat, 21 Jan 2023 12:21:31 +0100
Subject: [PATCH] minor modifs in test_tc_bi_ortho.irp.f

---
 src/tc_bi_ortho/test_tc_bi_ortho.irp.f | 35 +++-----------------------
 1 file changed, 3 insertions(+), 32 deletions(-)

diff --git a/src/tc_bi_ortho/test_tc_bi_ortho.irp.f b/src/tc_bi_ortho/test_tc_bi_ortho.irp.f
index 66ca2e6a..1b247da5 100644
--- a/src/tc_bi_ortho/test_tc_bi_ortho.irp.f
+++ b/src/tc_bi_ortho/test_tc_bi_ortho.irp.f
@@ -11,7 +11,7 @@ program tc_bi_ortho
   touch read_wf
   touch  my_grid_becke my_n_pt_r_grid my_n_pt_a_grid
 
-!  call test_slater_tc_opt
+ call test_slater_tc_opt
  call timing_hij
 end
 
@@ -25,44 +25,15 @@ subroutine test_slater_tc_opt
  accu_d = 0.d0
  i_count = 0.d0
  do i = 1, N_det
-! do i = 1,1
-  call diag_htilde_mu_mat_bi_ortho(N_int, psi_det(1,1,i), hmono, htwoe, htot)
-  call htilde_mu_mat_bi_ortho(psi_det(1,1,i), psi_det(1,1,i), N_int, hmono, htwoe, hthree, htot)
-  call diag_htilde_mu_mat_fock_bi_ortho(N_int, psi_det(1,1,i), hnewmono, hnewtwoe, hnewthree, hnewtot)
-!  print*,hthree,hnewthree
-!  print*,htot,hnewtot,dabs(hnewtot-htot)
-  accu_d += dabs(htot-hnewtot) 
-  if(dabs(htot-hnewtot).gt.1.d-8)then
-   print*,i
-   print*,htot,hnewtot,dabs(htot-hnewtot)
-  endif
-!  do j = 319,319
   do j = 1,N_det
-   if(i==j)cycle
-   integer :: degree 
-   call get_excitation_degree(psi_det(1,1,j), psi_det(1,1,i),degree,N_int)
-!   if(degree .ne. 1)cycle
    call htilde_mu_mat_bi_ortho(psi_det(1,1,j), psi_det(1,1,i), N_int, hmono, htwoe, hthree, htot)
    call htilde_mu_mat_opt_bi_ortho(psi_det(1,1,j), psi_det(1,1,i), N_int, hnewmono, hnewtwoe, hnewthree, hnewtot)
-!   if(dabs(hthree).gt.1.d-15)then
    if(dabs(htot).gt.1.d-15)then
-!    if(dabs(htot-hnewtot).gt.1.d-8.or.dabs(htot-hnewtot).gt.dabs(htot))then
-     i_count += 1.D0
-     accu += dabs(htot-hnewtot) 
-!    if(dabs(hthree-hnewthree).gt.1.d-8.or.dabs(hthree-hnewthree).gt.dabs(hthree))then
-    if(dabs(htot-hnewtot).gt.1.d-8.or.dabs(htot-hnewtot).gt.dabs(htot))then
-     print*,j,i,degree
-     call debug_det(psi_det(1,1,i),N_int)
-     call debug_det(psi_det(1,1,j),N_int)
-     print*,htot,hnewtot,dabs(htot-hnewtot) 
-!     print*,hthree,hnewthree,dabs(hthree-hnewthree) 
-     stop
-    endif
-!    print*,htot,hnewtot,dabs(htot-hnewtot) 
+    i_count += 1.D0
+    accu += dabs(htot-hnewtot) 
    endif
   enddo
  enddo
- print*,'accu_d = ',accu_d/N_det
  print*,'accu   = ',accu/i_count
 
 end