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基底中心test #88

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Merged
zqxian merged 1 commit into from
May 12, 2025
Merged

基底中心test #88

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2 changes: 1 addition & 1 deletion HTMACat/catkit/gen/adsorption.py
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Expand Up @@ -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"""
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