! DO NOT MODIFY BY HAND ! Created by $QP_ROOT/scripts/ezfio_interface/ei_handler.py ! from file /home/scemama/quantum_package/src/mrcc_selected/EZFIO.cfg BEGIN_PROVIDER [ double precision, thresh_dressed_ci ] implicit none BEGIN_DOC ! Threshold on the convergence of the dressed CI energy END_DOC logical :: has PROVIDE ezfio_filename call ezfio_has_mrcc_selected_thresh_dressed_ci(has) if (has) then call ezfio_get_mrcc_selected_thresh_dressed_ci(thresh_dressed_ci) else print *, 'mrcc_selected/thresh_dressed_ci not found in EZFIO file' stop 1 endif END_PROVIDER BEGIN_PROVIDER [ integer, n_it_max_dressed_ci ] implicit none BEGIN_DOC ! Maximum number of dressed CI iterations END_DOC logical :: has PROVIDE ezfio_filename call ezfio_has_mrcc_selected_n_it_max_dressed_ci(has) if (has) then call ezfio_get_mrcc_selected_n_it_max_dressed_ci(n_it_max_dressed_ci) else print *, 'mrcc_selected/n_it_max_dressed_ci not found in EZFIO file' stop 1 endif END_PROVIDER BEGIN_PROVIDER [ integer, lambda_type ] implicit none BEGIN_DOC ! lambda type END_DOC logical :: has PROVIDE ezfio_filename call ezfio_has_mrcc_selected_lambda_type(has) if (has) then call ezfio_get_mrcc_selected_lambda_type(lambda_type) else print *, 'mrcc_selected/lambda_type not found in EZFIO file' stop 1 endif END_PROVIDER