diff --git a/src/mo_basis/EZFIO.cfg b/src/mo_basis/EZFIO.cfg index 4c4f1eca..8349c006 100644 --- a/src/mo_basis/EZFIO.cfg +++ b/src/mo_basis/EZFIO.cfg @@ -32,6 +32,12 @@ doc: |MO| occupation numbers interface: ezfio size: (mo_basis.mo_num) +[mo_symmetry] +type: integer +doc: MOs with the same integer belong to the same irrep. +interface: ezfio +size: (mo_basis.mo_num) + [mo_class] type: MO_class doc: [ Core | Inactive | Active | Virtual | Deleted ], as defined by :ref:`qp_set_mo_class`