liuyun88

liuyun88's Stars

• rafaelmardojai/firefox-gnome-theme

  A GNOME👣 theme for Firefox🔥

  Language:CSS3.4k35625157

• 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:Python1.5k1111.3k852

• phonopy/phonopy

  Phonon code

  Language:Python34728133215

• beautiful-atoms/beautiful-atoms

  Python module for drawing and rendering beautiful atoms and molecules using Blender.

  Language:Python13538224

• SMTG-Bham/doped

  doped is a Python software for the generation, pre-/post-processing and analysis of defect supercell calculations, implementing the defect simulation workflow in an efficient, reproducible, user-friendly yet powerful and fully-customisable manner.

  Language:Python129143231

• phonopy/phono3py

  A simulation package of phonon-phonon interaction related properties

  Language:Python117104854

• SMTG-Bham/ShakeNBreak

  Defect structure-searching employing chemically-guided bond distortions

  Language:Python7941917

• dalcorso/pslibrary

  A library of ultrasoft and PAW pseudopotentials

  Language:Shell746318

• tdep-developers/tdep

  The Temperature Dependent Effective Potentials (TDEP) code

  Language:Fortran5475322

• SMTG-Bham/easyunfold

  Band structure unfolding made easy!

  Language:Python4252111

• mturiansky/nonrad

  Implementation for computing nonradiative recombination rates in semiconductors

  Language:Python412422

• oncvpsp/oncvpsp

  The official repository of the oncvpsp code to generate optimized norm-conserving Vanderbilt pseudopotentials

  Language:Fortran143310