! DO NOT MODIFY BY HAND ! Created by $QP_ROOT/scripts/ezfio_interface/ei_handler.py ! from file /home/garniron/quantum_package/src/mrcepa0/EZFIO.cfg BEGIN_PROVIDER [ logical, perturbative_triples ] implicit none BEGIN_DOC ! Compute perturbative contribution of the Triples END_DOC logical :: has PROVIDE ezfio_filename call ezfio_has_mrcepa0_perturbative_triples(has) if (has) then call ezfio_get_mrcepa0_perturbative_triples(perturbative_triples) else print *, 'mrcepa0/perturbative_triples not found in EZFIO file' stop 1 endif END_PROVIDER 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_mrcepa0_thresh_dressed_ci(has) if (has) then call ezfio_get_mrcepa0_thresh_dressed_ci(thresh_dressed_ci) else print *, 'mrcepa0/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_mrcepa0_n_it_max_dressed_ci(has) if (has) then call ezfio_get_mrcepa0_n_it_max_dressed_ci(n_it_max_dressed_ci) else print *, 'mrcepa0/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_mrcepa0_lambda_type(has) if (has) then call ezfio_get_mrcepa0_lambda_type(lambda_type) else print *, 'mrcepa0/lambda_type not found in EZFIO file' stop 1 endif END_PROVIDER