YuqingHe's repositories
abipy
Open-source library for analyzing the results produced by ABINIT
jupyter-jsmol
This is JSmol viewer widget for Jupyter Notebooks and JupyterLab
pymatgen
Python Materials Genomics (pymatgen) is a robust materials analysis code that defines core object representations for structures and molecules with support for many electronic structure codes. It is currently the core analysis code powering the Materials Project.
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.
poscar2xsf
Convert a POSCAR-format-like file to a XSF file (visualized by XCrySDen)
scripts
Repository to hold shell scripts (Bash and Python)