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一些小修改

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koko
2025-11-19 12:23:17 +08:00
parent 95d719cc1e
commit 80ae03c8c1
25 changed files with 2291 additions and 17 deletions
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2
corner-sharing/utils/CS_analyse.py
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@@ -349,7 +349,7 @@ def check_only_corner_sharing(sharing_results: Dict[str, Dict[str, int]]) -> int
else:
return 0 # 没有任何共享关系，也返回 0
# structure = Structure.from_file("../data/0921/wjy_001.cif")
# structure = Structure.from_file("../raw/0921/wjy_001.cif")
# a = CS_catulate(structure,notice=True)
# b = CS_count(structure,a)
# print(f"{a}\n{b}")