From 3c0bdc957226ca236d80d84ba294be2d05e89756 Mon Sep 17 00:00:00 2001
From: Anthony Scemama <scemama@eoslogin2.bullx>
Date: Wed, 17 Sep 2014 12:27:04 +0200
Subject: [PATCH] Added truncate_wf

---
 src/Dets/save_for_qmcchem.irp.f |  2 ++
 src/Dets/truncate_wf.irp.f      | 18 ++++++++++++++++++
 2 files changed, 20 insertions(+)
 create mode 100644 src/Dets/truncate_wf.irp.f

diff --git a/src/Dets/save_for_qmcchem.irp.f b/src/Dets/save_for_qmcchem.irp.f
index 85b31e73..9f98b70a 100644
--- a/src/Dets/save_for_qmcchem.irp.f
+++ b/src/Dets/save_for_qmcchem.irp.f
@@ -7,6 +7,8 @@ subroutine save_dets_qmcchem
  integer, allocatable :: occ(:,:,:), occ_tmp(:,:)
  !DIR$ ATTRIBUTES ALIGN : $IRP_ALIGN :: occ, occ_tmp
 
+ read_wf = .True.
+ TOUCH read_wf
  call ezfio_set_determinants_det_num(N_det)
  call ezfio_set_determinants_det_coef(psi_coef_sorted(1,1))
 
diff --git a/src/Dets/truncate_wf.irp.f b/src/Dets/truncate_wf.irp.f
new file mode 100644
index 00000000..f867ad7e
--- /dev/null
+++ b/src/Dets/truncate_wf.irp.f
@@ -0,0 +1,18 @@
+program cisd
+  implicit none
+  integer                        :: i,k
+
+  
+  double precision, allocatable  :: pt2(:), norm_pert(:), H_pert_diag(:)
+  integer                        :: N_st, degree
+  N_det=10000
+  do i=1,N_det
+    do k=1,N_int
+    psi_det(k,1,i) = psi_det_sorted(k,1,i)
+    psi_det(k,2,i) = psi_det_sorted(k,2,i)
+    enddo
+    psi_coef(k,:)  = psi_coef_sorted(k,:)
+  enddo
+  TOUCH psi_det psi_coef psi_det_sorted psi_coef_sorted psi_average_norm_contrib_sorted N_det
+  call save_wavefunction
+end