published Published about 1 year ago
doped: Python toolkit for robust and repeatable charged defect supercell calculations
Python Ruby Jupyter Notebook
published Published about 1 year ago
PyTASER: Simulating transient absorption spectroscopy (TAS) for crystals from first principles
Python
published Published about 4 years ago
IFermi: A python library for Fermi surface generation and analysis
Python
published Published over 6 years ago
sumo: Command-line tools for plotting and analysis of periodic *ab initio* calculations
Python
published Published almost 7 years ago