From c52dcd8846df5432c867d450b664f92462acc7d2 Mon Sep 17 00:00:00 2001
From: Anthony Scemama <scemama@irsamc.ups-tlse.fr>
Date: Sat, 31 Dec 2022 12:48:26 +0100
Subject: [PATCH] Removed debug in trexio

---
 devel/cc/denominators.irp.f                | 3 +++
 devel/trexio/import_trexio_integrals.irp.f | 6 +++---
 2 files changed, 6 insertions(+), 3 deletions(-)

diff --git a/devel/cc/denominators.irp.f b/devel/cc/denominators.irp.f
index d605086..3af8e4e 100644
--- a/devel/cc/denominators.irp.f
+++ b/devel/cc/denominators.irp.f
@@ -21,6 +21,7 @@ BEGIN_PROVIDER [ double precision, delta_OV, (spin_occ_num, spin_vir_num) ]
    do i=1,spin_occ_num
      delta_OV(i,a) = eO(i) - eV(a)
 !     delta_OV(i,a) = min(eO(i) - eV(a), -1.d-3)
+     if (delta_OV(i,a) == 0.d0) delta_OV(i,a) = 1.d-1
    enddo
  enddo
 
@@ -39,6 +40,7 @@ BEGIN_PROVIDER [ double precision, delta_OOVV, (spin_occ_num,spin_occ_num,spin_v
    do j=1,spin_occ_num
     do i=1,spin_occ_num
      delta_OOVV(i,j,a,b) = delta_OV(i,a) + delta_OV(j,b)
+     if (delta_OOVV(i,j,a,b) == 0.d0) delta_OOVV(i,j,a,b) = 1.d-1
     enddo
    enddo
   enddo
@@ -60,6 +62,7 @@ BEGIN_PROVIDER [ double precision, delta_OOOVVV, (spin_occ_num,spin_occ_num,spin
      do j=1,spin_occ_num
       do i=1,spin_occ_num
         delta_OOOVVV(i,j,k,a,b,c) = delta_OV(i,a) + delta_OV(j,b) + delta_OV(k,c)
+        if (delta_OOOVVV(i,j,k,a,b,c) == 0.d0) delta_OOOVVV(i,j,k,a,b,c) = 1.d-1
       enddo
      enddo
     enddo
diff --git a/devel/trexio/import_trexio_integrals.irp.f b/devel/trexio/import_trexio_integrals.irp.f
index 865f95c..901cc70 100644
--- a/devel/trexio/import_trexio_integrals.irp.f
+++ b/devel/trexio/import_trexio_integrals.irp.f
@@ -111,7 +111,7 @@ subroutine run
 
   integer*8 :: offset, icount
 
-  open(unit=104,file='tmp')
+! open(unit=104,file='tmp')
   offset = 0_8
   icount = BUFSIZE
   rc = TREXIO_SUCCESS
@@ -125,7 +125,7 @@ subroutine run
       integral = V(m)
       call two_e_integrals_index(i, j, k, l, buffer_i(m) )
       buffer_values(m) = integral
-  write(104,'(4(I5,X),2D22.15)') i,j,k,l, integral
+! write(104,'(4(I5,X),2D22.15)') i,j,k,l, integral
     enddo
     call insert_into_ao_integrals_map(int(icount,4),buffer_i,buffer_values)
     offset = offset + icount
@@ -134,7 +134,7 @@ subroutine run
     endif
   end do
   n_integrals = offset
-  close(104)
+! close(104)
 
   call map_sort(ao_integrals_map)
   call map_unique(ao_integrals_map)