diff --git a/plugins/mrcepa0/ezfio_interface.irp.f b/plugins/mrcepa0/ezfio_interface.irp.f deleted file mode 100644 index 3627abe6..00000000 --- a/plugins/mrcepa0/ezfio_interface.irp.f +++ /dev/null @@ -1,80 +0,0 @@ -! 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