published Published almost 2 years ago
doped: Python toolkit for robust and repeatable charged defect supercell calculations
Python Ruby Jupyter Notebook
@kavanase
published Published about 2 years ago
PyTASER: Simulating transient absorption spectroscopy (TAS) for crystals from first principles
Python
@savya10
@Andrew-S-Rosen
published Published almost 5 years ago
IFermi: A python library for Fermi surface generation and analysis
Python
@utf
published Published over 7 years ago
sumo: Command-line tools for plotting and analysis of periodic *ab initio* calculations
Python
published Published over 7 years ago
@ajjackson
