weixie4

weixie4's Stars

• abinit/abinit

  The official github mirror of the Abinit repository. We welcome bug fixes and improvements. Note that most of the active developments are hosted on our https://gitlab.abinit.org/ server. Before embarking on making significant changes, please contact the Abinit group.

  Language:Fortran20292

• phonopy/phonopy

  Phonon code

  Language:Python358220

• SMTG-Bham/sumo

  Heavyweight plotting tools for ab initio calculations

  Language:Python20581

• materialsproject/pymatgen

  Python Materials Genomics (pymatgen) is a robust materials analysis code that defines classes for structures and molecules with support for many electronic structure codes. It powers the Materials Project.

  Language:Python1.5k867

• huangli712/iQIST

  Interacting Quantum Impurity Solver Toolkit

  Language:Fortran367

• deepmodeling/deepmd-kit

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

  Language:C++1.5k516

• gVallverdu/bandstructureplots

  Band structure plots using pymatgen and a rgb scale to look at atomic or orbital contributions.

  Language:Python4641

• aoterodelaroza/critic2

  Analysis of quantum chemical interactions in molecules and solids.

  Language:Fortran10035

• skywind3000/awesome-cheatsheets

  超级速查表 - 编程语言、框架和开发工具的速查表，单个文件包含一切你需要知道的东西 :zap:

  Language:Shell11.6k2.1k

• jrnewell/ubuntu-gnome-terminal-patch

  Patch to Add PuTTY-like Right-Click Paste to Gnome Terminal in Ubuntu

  Language:C125

• pipidog/ONCVPSP

  Optimized Norm-Conserving Vanderbilt Pseudopotential for Quantum Espresso in UPF format

  Language:Python6942

• tadeck/onetimepass

  One-time password library for HMAC-based (HOTP) and time-based (TOTP) passwords

  Language:Python681101

• quanshengwu/wannier_tools

  WannierTools: An open-source software package for novel topological materials. Full documentation:

  Language:Fortran264143

• mcodev31/libmsym

  molecular point group symmetry lib

  Language:C7733

• greglandrum/yaehmop

  Yet Another extended Hueckel Molecular Orbital Package

  Language:C2016

• ttscoff/popclipextensions

  Brett's PopClip Extensions

  Language:Python45761

• inukshuk/jekyll-scholar

  jekyll extensions for the blogging scholar

  Language:Gherkin1.1k101

• CriticMarkup/CriticMarkup-toolkit

  Various tools to use CriticMarkup in your daily workflow

  Language:Python73752