Python tool to manipulate Gaussian cube files
Python tools for automating routine tasks encountered when running quant...
Accurate many-body perturbation theory calculations of the electronic st...
Python package for eigenchannels, vibrations and inelastic electron tran...
Pynta - an automated workflow for reaction path exploration on metallic ...
Simulates pruned DFT spread FBMC and compares the performance to OFDM, S...
Extended DeepH (xDeepH) method for magnetic materials.