diff --git a/src/scf_utils/roothaan_hall_scf.irp.f b/src/scf_utils/roothaan_hall_scf.irp.f index 947917af..274f08d6 100644 --- a/src/scf_utils/roothaan_hall_scf.irp.f +++ b/src/scf_utils/roothaan_hall_scf.irp.f @@ -222,13 +222,13 @@ END_DOC endif - ! Identify degenerate MOs and force them on the axes + ! Identify degenerate MOs and force them to be on the axes allocate(S(ao_num,ao_num)) i=1 do while (i