diff --git a/HTMACat/catkit/gen/adsorption.py b/HTMACat/catkit/gen/adsorption.py index 6fcb5bc..14792e9 100644 --- a/HTMACat/catkit/gen/adsorption.py +++ b/HTMACat/catkit/gen/adsorption.py @@ -552,7 +552,7 @@ def add_adsorbate(self, adsorbate, bonds=None, index=0, auto_construct=True, **k raise ValueError("Only mono- and bidentate adsorption supported.") return slab - #xzq + #xzq_test @staticmethod def inertia_tensor(positions, masses): """计算分子的惯性矩张量"""