电子局域化函数（Electron Localization Function, ELF）是分析化学键类型、识别原子间成键特征（如共价键、离子键、金属键）和定位电子局域化区域的核心工具。本文提供电催化计算ELF的保姆级教程(VASP软件)，涵盖参数设置、计算技巧、数据提取及三维可视化，助你 ...

Classification algorithms learn how to assign class labels to examples (observations or data points), although their decisions can appear opaque. A popular diagnostic for understanding the decisions ...

WRF-Python is a post-processing tool similar to NCL's WRF Package. Contains over 30 diagnostic routines (CAPE, storm relative helicity, cloud top temperature, etc). Interpolation routines (level, ...

PyOD is a versatile toolkit for detecting outliers in multivariate data, introduced in 2019. Outlier detection identifies data points that significantly differ from the majority, aiding in tasks like ...

def vespagram(st, smin, smax, ssteps, baz, winlen, stat='power', n=1): Calculates the vespagram for a seismic array over a given slowness range, for a single backazimuth, using the statistic specified ...