pyiron - an integrated development environment (IDE) for computational materials science.
JARVIS-Tools: an open-source software package for data-driven atomistic materials design. Publications: https://scholar.google.com/citations?user=3w6ej94AAAAJ https://www.youtube.com/watch?v=2-XHeC8gbeY
Manipulating VASP files with Python.
Atomsk: A Tool For Manipulating And Converting Atomic Data Files -
Electronic structure Python package for post analysis and large scale tight-binding DFT/NEGF calculations
A Python library for electronic structure pre/post-processing
atomate2 is a library of computational materials science workflows
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.
p4vasp, the VASP Visualization Tool
Phonon anharmonicity analysis from molecular dynamics
BandUP: Band Unfolding code for Plane-wave based calculations
Fermi surface generation, analysis and visualisation.
Python package to analyse electron density & electrostatic potential grids
Defect structure-searching employing chemically-guided bond distortions
Berry curvature and Chern number calculations with the output (WAVECAR) of VASP code
A simple way to calculate Gibbs free energy from Vasp calculations
Add a description, image, and links to the vasp topic page so that developers can more easily learn about it.
To associate your repository with the vasp topic, visit your repo's landing page and select "manage topics."