diff --git a/src/kbe/lo.py b/src/kbe/lo.py index 6fedb920..97a897de 100644 --- a/src/kbe/lo.py +++ b/src/kbe/lo.py @@ -20,8 +20,6 @@ from molbe.external.lo_helper import get_aoind_by_atom, reorder_by_atom_ from molbe.helper import ncore_ -# iao tmp - class KMF: def __init__(self, cell, kpts=None, mo_coeff=None, mo_energy=None):