论文标题
重新访问共同的邻居分析和中心对称参数
Revisiting the Common Neighbour Analysis and the Centrosymmetry Parameter
论文作者
论文摘要
我们回顾了晶体阶段模拟中的结构分类的两种标准方法，共同的邻居分析和中心对称参数。我们探讨了它们每种常见变体的定义和实现，并研究其各自的故障模式和分类偏见。提出了对这两种方法的简单修改，从而改善了它们的鲁棒性，可解释性和适用性。我们表示这些变体间隔共同的邻居分析和最小重量匹配的中心对称参数。
We review two standard methods for structural classification in simulations of crystalline phases, the Common Neighbour Analysis and the Centrosymmetry Parameter. We explore the definitions and implementations of each of their common variants, and investigate their respective failure modes and classification biases. Simple modifications to both methods are proposed, which improve their robustness, interpretability, and applicability. We denote these variants the Interval Common Neighbour Analysis, and the Minimum-Weight Matching Centrosymmetry Parameter.
