med

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