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An interactive Python script that computes the minimum atomic bonding distances from sites, generating histograms and pair counts.

Python 16 1 Updated Apr 3, 2025

Microstructure Intelligent Design Core (Ver. beta)

C++ 9 3 Updated Mar 17, 2025

Resources about Phase Field Tutorial

TeX 7 1 Updated Mar 20, 2025

Book_7_《机器学习》 | 鸢尾花书:从加减乘除到机器学习;欢迎批评指正

Jupyter Notebook 2,793 547 Updated Sep 11, 2024

Book_6_《数据有道》 | 鸢尾花书:从加减乘除到机器学习;欢迎大家批评指正!纠错多的同学会得到赠书感谢!

Jupyter Notebook 2,293 428 Updated Sep 11, 2024

Book_5_《统计至简》 | 鸢尾花书:从加减乘除到机器学习;上架!

Jupyter Notebook 3,238 677 Updated Feb 6, 2025

A cheatsheet for those who plot with MATLAB

MATLAB 425 91 Updated Nov 11, 2023

Interfacial Phonon code

Python 26 12 Updated Jul 31, 2022

一个基于 PDFFigure2 的 PDF 图表解析插件

JavaScript 466 13 Updated Nov 19, 2024

《Hello 算法》:动画图解、一键运行的数据结构与算法教程。支持 Python, Java, C++, C, C#, JS, Go, Swift, Rust, Ruby, Kotlin, TS, Dart 代码。简体版和繁体版同步更新,English version ongoing

Java 111,499 13,892 Updated Apr 10, 2025

Book_4_《矩阵力量》 | 鸢尾花书:从加减乘除到机器学习;上架!

Jupyter Notebook 9,216 1,410 Updated Feb 1, 2025

Book_3_《数学要素》 | 鸢尾花书:从加减乘除到机器学习;上架;欢迎继续纠错,纠错多的同学还会有赠书!

Jupyter Notebook 6,842 1,217 Updated Jan 26, 2025

Book_2_《可视之美》 | 鸢尾花书:从加减乘除到机器学习,欢迎批评指正

Jupyter Notebook 3,135 655 Updated Sep 11, 2024

Book_1_《编程不难》 | 鸢尾花书:从加减乘除到机器学习;请多多批评指正!

Jupyter Notebook 5,536 1,093 Updated Sep 11, 2024

Dealing with slabs for first principles calculations of surfaces

Jupyter Notebook 62 15 Updated Sep 17, 2023

A suite of scripts and modules that perform menial, tedious and repetitive tasks and operations on VASP files that were hurriedly and haphazardly put together by some intern.

Python 9 3 Updated Dec 8, 2024

A wrapper for many computational codes of thermal conductivity

Python 25 9 Updated Jul 6, 2022

This WaNo performs the DFT calculation using Vasp code. In this WaNo, the POTCAR might be automatically generated after reading the POSCAR file.

Python 10 5 Updated Mar 26, 2025

Python Processing Tool for Vasp Ipnut/Output

Jupyter Notebook 13 6 Updated Jul 6, 2023

A collection of tools for pre-processing, simulating, and post-processing vascular fluid-structure-interaction problems

Python 11 4 Updated Mar 26, 2025

Plot band structures from VASP band calculation with matplotlib

Python 5 8 Updated Dec 26, 2014

High-throughput DFT of MOFs using ASE/VASP

Python 28 11 Updated May 22, 2023

VASP subtool to draw Fermi-Surface; creates input file for Xcrysden

Python 37 17 Updated Sep 15, 2022

My VASPtools

Python 9 8 Updated Jun 16, 2021
Python 20 7 Updated Apr 16, 2020

Code to convert DFPT modes in OUTCAR files to VESTA images

Python 23 9 Updated Aug 14, 2022
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