From aded338cc5103bd29eaa7ff483846fe52b7585fa Mon Sep 17 00:00:00 2001
From: Anouar Benali <abenali.sci@gmail.com>
Date: Thu, 2 Jan 2020 13:17:17 -0600
Subject: [PATCH] Fix for save_for_qmcpack (#72)

---
 src/determinants/determinants.irp.f | 19 +++++++++++++++++++
 1 file changed, 19 insertions(+)

diff --git a/src/determinants/determinants.irp.f b/src/determinants/determinants.irp.f
index 71ee3d89..f1aab1dc 100644
--- a/src/determinants/determinants.irp.f
+++ b/src/determinants/determinants.irp.f
@@ -489,6 +489,25 @@ subroutine save_wavefunction
   endif
 end
 
+subroutine save_wavefunction_qmcpack
+  implicit none
+  use bitmasks
+  BEGIN_DOC
+  !  Save the wave function into the |EZFIO| file
+  END_DOC
+
+  ! Trick to avoid re-reading the wave function every time N_det changes
+  ! This Trick destroys determinants when saving for qmcpack
+  !read_wf = .False.
+
+  if (N_det < N_states) then
+    return
+  endif
+  if (mpi_master) then
+    call save_wavefunction_general(N_det,N_states,psi_det_sorted,size(psi_coef_sorted,1),psi_coef_sorted)
+    endif
+end
+
 
 subroutine save_wavefunction_unsorted
   implicit none