From 5ec072ea2d06d182360b3389b3a3d2695c9c9dcd Mon Sep 17 00:00:00 2001 From: Emmanuel Giner Date: Mon, 20 Mar 2017 16:21:41 +0100 Subject: [PATCH] med --- ...alize_restart_and_save_all_nstates_diag.irp.f | 16 ++++++++++++++++ 1 file changed, 16 insertions(+) create mode 100644 src/Davidson/diagonalize_restart_and_save_all_nstates_diag.irp.f diff --git a/src/Davidson/diagonalize_restart_and_save_all_nstates_diag.irp.f b/src/Davidson/diagonalize_restart_and_save_all_nstates_diag.irp.f new file mode 100644 index 00000000..3bdc37c5 --- /dev/null +++ b/src/Davidson/diagonalize_restart_and_save_all_nstates_diag.irp.f @@ -0,0 +1,16 @@ +program diag_and_save + implicit none + read_wf = .True. + touch read_wf + call routine +end + +subroutine routine + implicit none + call diagonalize_CI + print*,'N_det = ',N_det + call save_wavefunction_general(N_det,N_states_diag,psi_det_sorted,size(psi_coef_sorted,1),psi_coef_sorted) + + + +end