REDUCED NB OF DGEMM IN NORMAL_OREDER TABLE

src/becke_numerical_grid/grid_becke_vector.irp.f

@@ -20,8 +20,8 @@ BEGIN_PROVIDER [integer, n_points_final_grid]
     enddo
   enddo
 
-  !print*,' n_points_final_grid = ', n_points_final_grid
-  !print*,' n max point         = ', n_points_integration_angular*(n_points_radial_grid*nucl_num - 1)
+  print*,' n_points_final_grid = ', n_points_final_grid
+  print*,' n max point         = ', n_points_integration_angular*(n_points_radial_grid*nucl_num - 1)
   call ezfio_set_becke_numerical_grid_n_points_final_grid(n_points_final_grid)
 
 END_PROVIDER

src/tc_bi_ortho/test_tc_bi_ortho.irp.f

@@ -34,7 +34,8 @@ program tc_bi_ortho
   !call test_no_aab()
   !call test_no_aaa()
 
-  call test_no()
+  !call test_no()
+  call test_no_v0()
 
 end
 
@@ -273,6 +274,52 @@ end
 
 ! ---
 
+subroutine test_no_v0()
+
+  implicit none
+  integer          :: i, j, k, l
+  double precision :: accu, contrib, new, ref, thr, norm
+
+  print*, ' test_no_v0 ...'
+
+  thr = 1d-8
+
+  PROVIDE normal_two_body_bi_orth_v0
+  PROVIDE normal_two_body_bi_orth
+
+  accu = 0.d0
+  norm = 0.d0
+  do i = 1, mo_num
+    do j = 1, mo_num
+      do k = 1, mo_num
+        do l = 1, mo_num
+
+          new = normal_two_body_bi_orth   (l,k,j,i)
+          ref = normal_two_body_bi_orth_v0(l,k,j,i)
+
+          contrib = dabs(new - ref)
+          if(contrib .gt. thr) then
+            print*, ' problem on normal_two_body_bi_orth'
+            print*, l, k, j, i
+            print*, ref, new, contrib
+            stop
+          endif
+
+          accu += contrib
+          norm += dabs(ref)
+        enddo
+      enddo
+    enddo
+  enddo
+
+  print*, ' accu (%) = ', 100.d0*accu/norm
+
+  return
+end subroutine test_no
+
+! ---
+
+
 subroutine test_no()
 
   implicit none