agrh Goto Github PK

agrh

Config files for my GitHub profile.

agrh.github.io

My personal blog

awesome-mac

 Now we have become very big, Different from the original idea. Collect premium software in various categories.

bandup

BandUP: Band Unfolding code for Plane-wave based calculations

data_repository_calf-20_mlp

Raw data of paper

deepmd-kit

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

dong

dpdata

Manipulating DeePMD-kit, VASP, LAMMPS data formats.

git

julia

lammps

matgenb

Jupyter notebooks demonstrating the utilization of open-source codes for the study of materials science.

matplotlib

Matplotlib& Seaborn

multi-v2ray

v2ray/xray多用户管理部署程序

nodeppt

This is probably the best web presentation tool so far!

novel-two-dimensioanl-material-databaes

Ref: J. Mater. Chem. C, 2018, 6, 1651--1658

oh-my-zsh

🙃 A delightful community-driven (with 1,300+ contributors) framework for managing your zsh configuration. Includes 200+ optional plugins (rails, git, OSX, hub, capistrano, brew, ant, php, python, etc), over 140 themes to spice up your morning, and an auto-update tool so that makes it easy to keep up with the latest updates from the community.

papers

Full data of our published papers

pock

Widgets manager for MacBook Touch Bar

povray

The Persistence of Vision Raytracer: http://www.povray.org/

pyprocar

A Python library for electronic structure pre/post-processing

pytorch

Tensors and Dynamic neural networks in Python with strong GPU acceleration

q-e

Mirror of the Quantum ESPRESSO repository

raspa2

Classical molecular simulation code

shadowsocksr

Python port of ShadowsocksR

the-art-of-command-line

Master the command line, in one page

tutorials

Tutorial material for hands-on sessions (work in progress)

vaspsol

Solvation model for the plane wave DFT code VASP http://vaspsol.mse.ufl.edu/

vaspy

Manipulating VASP files with Python.

wannier-tutorials

A repository hosting materials used during the Wannier90 tutorials