From b780a6540abaa08142be8d8912131a50bb41c6ca Mon Sep 17 00:00:00 2001
From: Yann Garniron <yann.garniron@yahoo.fr>
Date: Fri, 14 Oct 2016 12:40:29 +0200
Subject: [PATCH] bugs in mrcepa0_general and mrcc_utils

---
 plugins/MRCC_Utils/mrcc_utils.irp.f   | 5 +++--
 plugins/mrcepa0/mrcepa0_general.irp.f | 2 +-
 2 files changed, 4 insertions(+), 3 deletions(-)

diff --git a/plugins/MRCC_Utils/mrcc_utils.irp.f b/plugins/MRCC_Utils/mrcc_utils.irp.f
index 79249051..81893781 100644
--- a/plugins/MRCC_Utils/mrcc_utils.irp.f
+++ b/plugins/MRCC_Utils/mrcc_utils.irp.f
@@ -644,7 +644,7 @@ END_PROVIDER
      AtA_ind = 0
      AtA_val = 0d0
      x = 0d0
-     A_val_mwen = 0d0
+     !A_val_mwen = 0d0
      N_col = 0
      col_shortcut = 0
      
@@ -699,7 +699,8 @@ END_PROVIDER
          !$OMP private(at_row, a_col, t, i, r1, r2, wk, A_ind_mwen, A_val_mwen)&
          !$OMP shared(col_shortcut, N_col, AtB, AtA_size, AtA_val, AtA_ind, s)
      allocate(A_val_mwen(nex), A_ind_mwen(nex))
-     A_ind_mwen = 0
+     !A_ind_mwen = 0
+     !A_val_mwen = 0d0
      !$OMP DO schedule(dynamic, 100)
      do at_row = 1, nex
        wk = 0
diff --git a/plugins/mrcepa0/mrcepa0_general.irp.f b/plugins/mrcepa0/mrcepa0_general.irp.f
index 1e7ad68d..63f03360 100644
--- a/plugins/mrcepa0/mrcepa0_general.irp.f
+++ b/plugins/mrcepa0/mrcepa0_general.irp.f
@@ -28,7 +28,7 @@ subroutine run(N_st,energy)
     enddo
     SOFT_TOUCH psi_coef ci_energy_dressed
     call write_double(6,ci_energy_dressed(1),"Final MRCC energy")
-    call ezfio_set_mrcc_cassd_energy(ci_energy_dressed(1))
+    call ezfio_set_mrcepa0_energy(ci_energy_dressed(1))
     call save_wavefunction
     energy(:) = ci_energy_dressed(:)
   else