From edd9add59ff4547c41a99f129d34b52efa79bcf4 Mon Sep 17 00:00:00 2001
From: Emmanuel Giner <giner.emmanuel@gmail.com>
Date: Fri, 28 Jun 2019 00:16:47 +0200
Subject: [PATCH] fixed bug in FOBOSCF

---
 plugins/FOBOCI/README.rst                           | 10 +++++-----
 plugins/FOBOCI/foboci_lmct_mlct_threshold_old.irp.f |  2 ++
 plugins/Properties/print_hcc.irp.f                  |  2 +-
 3 files changed, 8 insertions(+), 6 deletions(-)

diff --git a/plugins/FOBOCI/README.rst b/plugins/FOBOCI/README.rst
index 1e3932fc..acca74b1 100644
--- a/plugins/FOBOCI/README.rst
+++ b/plugins/FOBOCI/README.rst
@@ -322,15 +322,15 @@ Documentation
   Undocumented
 
 
-`foboci_lmct_mlct_old_thr_restart <http://github.com/LCPQ/quantum_package/tree/master/plugins/FOBOCI/foboci_lmct_mlct_threshold_old.irp.f#L339>`_
+`foboci_lmct_mlct_old_thr_restart <http://github.com/LCPQ/quantum_package/tree/master/plugins/FOBOCI/foboci_lmct_mlct_threshold_old.irp.f#L341>`_
   Undocumented
 
 
-`foboci_lmct_old <http://github.com/LCPQ/quantum_package/tree/master/plugins/FOBOCI/foboci_lmct_mlct_threshold_old.irp.f#L267>`_
+`foboci_lmct_old <http://github.com/LCPQ/quantum_package/tree/master/plugins/FOBOCI/foboci_lmct_mlct_threshold_old.irp.f#L269>`_
   Undocumented
 
 
-`foboci_mlct_old <http://github.com/LCPQ/quantum_package/tree/master/plugins/FOBOCI/foboci_lmct_mlct_threshold_old.irp.f#L193>`_
+`foboci_mlct_old <http://github.com/LCPQ/quantum_package/tree/master/plugins/FOBOCI/foboci_lmct_mlct_threshold_old.irp.f#L195>`_
   Undocumented
 
 
@@ -681,11 +681,11 @@ h_apply_only_2p_monoexc
   .br
 
 
-`read_dm_from_lmct <http://github.com/LCPQ/quantum_package/tree/master/plugins/FOBOCI/foboci_lmct_mlct_threshold_old.irp.f#L600>`_
+`read_dm_from_lmct <http://github.com/LCPQ/quantum_package/tree/master/plugins/FOBOCI/foboci_lmct_mlct_threshold_old.irp.f#L602>`_
   Undocumented
 
 
-`read_dm_from_mlct <http://github.com/LCPQ/quantum_package/tree/master/plugins/FOBOCI/foboci_lmct_mlct_threshold_old.irp.f#L617>`_
+`read_dm_from_mlct <http://github.com/LCPQ/quantum_package/tree/master/plugins/FOBOCI/foboci_lmct_mlct_threshold_old.irp.f#L619>`_
   Undocumented
 
 
diff --git a/plugins/FOBOCI/foboci_lmct_mlct_threshold_old.irp.f b/plugins/FOBOCI/foboci_lmct_mlct_threshold_old.irp.f
index 3d161141..3074b423 100644
--- a/plugins/FOBOCI/foboci_lmct_mlct_threshold_old.irp.f
+++ b/plugins/FOBOCI/foboci_lmct_mlct_threshold_old.irp.f
@@ -176,6 +176,8 @@ subroutine FOBOCI_lmct_mlct_old_thr(iter)
     call update_density_matrix_osoci
   enddo
  endif
+ call set_generators_to_generators_restart
+ call set_psi_det_to_generators
 
    print*,'norm_total = ',norm_total
    norm_total = norm_generators_restart
diff --git a/plugins/Properties/print_hcc.irp.f b/plugins/Properties/print_hcc.irp.f
index 7f74f996..89d5011b 100644
--- a/plugins/Properties/print_hcc.irp.f
+++ b/plugins/Properties/print_hcc.irp.f
@@ -11,7 +11,7 @@ subroutine routine
  implicit none
  integer :: i
  do i = 1, mo_tot_num
-  write(*,'(1000(F16.10,X))')one_body_dm_mo_beta(i,:,1)
+  write(*,'(I3,X,1000(F16.10,X))')i,one_body_dm_mo_beta(i,i,1)
  enddo
 end