bzwang0320 Goto Github PK

2017-cmp

computational physics class - 2017 fall

hefei-namd

ab-initio nonadiabatic molecular dynamics program

java_basic_introduction

Java基础入门

leetcode-master

LeetCode 刷题攻略：配思维导图，将近200道经典算法题目刷题顺序、经典算法模板、共60w字的详细图解，以及难点视频题解。按照刷题攻略上的顺序来刷题，让你在算法学习上不再迷茫！🔥🔥给个star支持一下吧！🚀

libra-code

matplotlib-user-guide-zh

:book: [译] Matplotlib 用户指南

nose-hoover-chain

Canonical Ensemble in Molecular Dynamics (NVT Ensemble), Nose-Hoover Chain

onmyoji_bot

阴阳师多平台自动化

open-c-book

开源书籍:《C语言编程透视》，配套视频课程《360° 剖析 Linux ELF》已上线，视频讲解更为系统和深入，欢迎订阅：https://www.cctalk.com/m/group/88089283

project_soc_perovskite_intraband_relaxation

input and output files for simulation of intraband relaxation with/without SOC in perovskite MAPbI3 in tetragonal phase

python-100-days

Python - 100天从新手到大师

python-demo

新手用来练手的Python Demo合集，欢迎PR

pyxaid-code

The main branch of the Pyxaid code

pyxaid2

qmflows

This library tackles the construction and efficient execution of computational chemistry workflows

scienceplots

Matplotlib styles for scientific plotting

sharingme_public

Sharing the codes

siesta

FDF files for relaxation, PDOS and Denchar calculations in SIESTA 4.0.2 version as well as 4.1v and PSML supported version

tutorials_cp2k

Tutorials on CP2K calculations

tutorials_libra

Tutorials showcasing various capabilities of Libra

unixmd

ustc-cs-courses-resource

USTC计算机学院课程资源

vasp_opt_axis

Fix lattice component(s) during relaxation in VASP

xconfigure

High-Performance configuration patterns and recipes.