quantum_package/src/Davidson/diagonalize_restart_and_save_all_states.irp.f

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,psi_det_sorted,size(psi_coef_sorted,1),psi_coef_sorted)


end
Modifs of fobo-scf 2016-07-16 16:09:50 +02:00			`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`
minor modifs in FOBOCI 2017-03-20 16:21:00 +01:00			`call save_wavefunction_general(N_det,N_states,psi_det_sorted,size(psi_coef_sorted,1),psi_coef_sorted)`
Modifs of fobo-scf 2016-07-16 16:09:50 +02:00


			`end`