From 0a2ab46d34c7b882a218d50e87bc3aaa901657cf Mon Sep 17 00:00:00 2001 From: zqxian <2821838490@qq.com> Date: Mon, 12 May 2025 16:02:45 +0800 Subject: [PATCH] =?UTF-8?q?=E5=9F=BA=E5=BA=95=E4=B8=AD=E5=BF=83test?= MIME-Version: 1.0 Content-Type: text/plain; charset=UTF-8 Content-Transfer-Encoding: 8bit --- HTMACat/catkit/gen/adsorption.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) 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"""