vasp
Here are 182 public repositories matching this topic...
atomate2 is a library of computational materials science workflows
-
Updated
Jun 12, 2024 - Python
Generate random alloys and compute various properties
-
Updated
Jun 12, 2024 - Python
A Python package enhancing VASP AIMD simulation
-
Updated
Jun 11, 2024 - Python
Electronic structure Python package for post analysis and large scale tight-binding DFT/NEGF calculations
-
Updated
Jun 11, 2024 - Python
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.
-
Updated
Jun 11, 2024 - Python
A plugin to AiiDA for running simulations with VASP
-
Updated
Jun 11, 2024 - Python
pyiron - an integrated development environment (IDE) for computational materials science.
-
Updated
Jun 10, 2024 - Jupyter Notebook
Python toolkit for molecular dynamics analysis
-
Updated
Jun 10, 2024 - Python
A Python library for electronic structure pre/post-processing
-
Updated
Jun 9, 2024 - Python
Defect structure-searching employing chemically-guided bond distortions
-
Updated
Jun 6, 2024 - Python
Utility scripts and programs for VASP calculations
-
Updated
Jun 5, 2024 - Fortran
Fermi surface generation, analysis and visualisation.
-
Updated
Jun 1, 2024 - Python
JARVIS-Tools: an open-source software package for data-driven atomistic materials design. Publications: https://scholar.google.com/citations?user=3w6ej94AAAAJ
-
Updated
May 28, 2024 - Python
Phonon anharmonicity analysis from molecular dynamics
-
Updated
May 27, 2024 - Python
Improve this page
Add a description, image, and links to the vasp topic page so that developers can more easily learn about it.
Add this topic to your repo
To associate your repository with the vasp topic, visit your repo's landing page and select "manage topics."