quantum_package/plugins/eginer/multistate/diag_restart_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
Forgot files 2018-02-09 18:23:05 +01:00			`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`
Optimized S2 2018-09-21 10:02:55 +02:00			`call save_wavefunction_general(N_det,N_states,psi_det_sorted,size(psi_coef_sorted,1),psi_coef_sorted)`
Forgot files 2018-02-09 18:23:05 +01:00
			`end`