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abacus-develop

An electronic structure package based on either plane wave basis or numerical atomic orbitals.

abacus-developer-doc

ABACUS开源软件的中文开发者文档

abacus-feedstock

A conda-smithy repository for abacus.

abacus-pseudopot-nao-square

Enpower ABACUS calculation, for high efficiency, for high precision. Pseudopotential and Numerical Atomic Orbital library (developing)

abacus-test

do the performance test of ABACUS

abacus-user-guide

ABACUS开源软件的中文用户文档

atomsk

Atomsk: A Tool For Manipulating And Converting Atomic Data Files -

chatpaper

Use ChatGPT to summarize the arXiv papers. 全流程加速科研，利用chatgpt进行论文全文总结+专业翻译+润色+审稿+审稿回复

deepmd-kit

A deep learning package for many-body potential energy representation and molecular dynamics

deepmd_on_pytorch

Reproduce partial features of DeePMD-kit using PyTorch.

dpdata

Manipulating multiple atomic simulation data formats, including DeePMD-kit, VASP, LAMMPS, ABACUS, etc.

dpgen

The deep potential generator to generate a deep-learning based model of interatomic potential energy and force field

googletest

GoogleTest - Google Testing and Mocking Framework

gpt_academic

为ChatGPT/GLM提供实用化交互界面，特别优化论文阅读/润色/写作体验，模块化设计，支持自定义快捷按钮&函数插件，支持Python和C++等项目剖析&自译解功能，PDF/LaTex论文翻译&总结功能，支持并行问询多种LLM模型，支持chatglm2等本地模型。兼容文心一言, moss, llama2, rwkv, claude2, 通义千问, 书生, 讯飞星火等。

gpumd

Graphics Processing Units Molecular Dynamics

hosts

GitHub最新hosts。解决GitHub图片无法显示，加速GitHub网页浏览。

issue_template

jiaweile-dp-tutorial

lammps

Public development project of the LAMMPS MD software package

molecular-dynamics-simulation

Sample codes for my book on molecular dynamics simulation

q-e

Mirror of the Quantum ESPRESSO repository. Please do not post Issues or pull requests here. Use gitlab.com/QEF/q-e instead.

tutorials-cn

deepmd_cn_exzampel

zxglearngit

this repository is used by zhuxuegang to init study github.