diff --git a/src/Nuclei/EZFIO.cfg b/src/Nuclei/EZFIO.cfg index 24db8668..81c168ff 100644 --- a/src/Nuclei/EZFIO.cfg +++ b/src/Nuclei/EZFIO.cfg @@ -1,19 +1,19 @@ [nucl_num] doc: Number of nuclei type: integer -interface: ezfio +interface: ezfio, provider [nucl_label] doc: Nuclear labels type: character*(32) size: (nuclei.nucl_num) -interface: ezfio +interface: ezfio, provider [nucl_charge] doc: Nuclear charges type:double precision size: (nuclei.nucl_num) -interface: ezfio +interface: ezfio, provider [nucl_coord] doc: Nuclear coordinates in the format (:, {x,y,z}) diff --git a/src/Nuclei/nuclei.irp.f b/src/Nuclei/nuclei.irp.f index ec1fb7d4..a8def602 100644 --- a/src/Nuclei/nuclei.irp.f +++ b/src/Nuclei/nuclei.irp.f @@ -1,57 +1,14 @@ - BEGIN_PROVIDER [ integer, nucl_num ] -&BEGIN_PROVIDER [ integer, nucl_num_aligned ] +BEGIN_PROVIDER [ integer, nucl_num_aligned ] implicit none BEGIN_DOC - ! Number of nuclei + ! Number of nuclei algined END_DOC PROVIDE ezfio_filename - nucl_num = 0 - logical :: has - call ezfio_has_nuclei_nucl_num(has) - if (has) then - call ezfio_get_nuclei_nucl_num(nucl_num) - else - print *, irp_here - stop 1 - endif - ASSERT (nucl_num > 0) integer :: align_double nucl_num_aligned = align_double(nucl_num) END_PROVIDER -BEGIN_PROVIDER [ double precision, nucl_charge, (nucl_num) ] - implicit none - BEGIN_DOC - ! Nuclear charges - END_DOC - PROVIDE ezfio_filename - nucl_charge = -1.d0 - logical :: has - call ezfio_has_nuclei_nucl_charge(has) - if (has) then - call ezfio_get_nuclei_nucl_charge(nucl_charge) - else - print *, irp_here - stop 1 - endif - ASSERT (minval(nucl_charge) >= 0.d0) -END_PROVIDER - -BEGIN_PROVIDER [ character*(32), nucl_label, (nucl_num) ] - implicit none - BEGIN_DOC - ! Nuclear labels - END_DOC - PROVIDE ezfio_filename - nucl_label = "" - logical :: has - call ezfio_has_nuclei_nucl_label(has) - if (has) then - call ezfio_get_nuclei_nucl_label(nucl_label) - endif -END_PROVIDER - BEGIN_PROVIDER [ double precision, nucl_coord, (nucl_num_aligned,3) ] implicit none