BEGIN_PROVIDER [ integer, n_det_max_cisd_sc2 ] implicit none BEGIN_DOC ! Get n_det_max_cisd_sc2 from EZFIO file END_DOC logical :: has_n_det_max_cisd_sc2 PROVIDE ezfio_filename call ezfio_has_cisd_sc2_selected_n_det_max_cisd_sc2(has_n_det_max_cisd_sc2) if (has_n_det_max_cisd_sc2) then call ezfio_get_cisd_sc2_selected_n_det_max_cisd_sc2(n_det_max_cisd_sc2) else n_det_max_cisd_sc2 = 1000 call ezfio_set_cisd_sc2_selected_n_det_max_cisd_sc2(n_det_max_cisd_sc2) endif print*,'n_det_max_cisd_sc2 = ',n_det_max_cisd_sc2 END_PROVIDER BEGIN_PROVIDER [ double precision , pt2_max ] implicit none BEGIN_DOC ! Get pt2_max from EZFIO file END_DOC logical :: has_pt2_max PROVIDE ezfio_filename call ezfio_has_cisd_sc2_selected_pt2_max(has_pt2_max) if (has_pt2_max) then call ezfio_get_cisd_sc2_selected_pt2_max(pt2_max) else pt2_max = 1.d-3 call ezfio_set_cisd_sc2_selected_pt2_max(pt2_max) endif print*,'pt2_max = ',pt2_max END_PROVIDER BEGIN_PROVIDER [ logical, do_pt2_end ] implicit none BEGIN_DOC ! Get do_pt2_end from EZFIO file END_DOC logical :: has_do_pt2_end PROVIDE ezfio_filename call ezfio_has_cisd_sc2_selected_do_pt2_end(has_do_pt2_end) if (has_do_pt2_end) then call ezfio_get_cisd_sc2_selected_do_pt2_end(do_pt2_end) else do_pt2_end = .True. call ezfio_set_cisd_sc2_selected_do_pt2_end(do_pt2_end) endif print*,'do_pt2_end = ',do_pt2_end END_PROVIDER