Molecular dynamics package designed for the SIESTA DFT code.
-
Updated
Jun 11, 2025 - Python
8000
Molecular dynamics package designed for the SIESTA DFT code.
A Python package for enhancing VASP AIMD simulations and analysis
A automated fragmentation method for Ab Initio Molecular Dynamics (AIMD).
Add a description, image, and links to the aimd topic page so that developers can more easily learn about it.
To associate your repository with the aimd topic, visit your repo's landing page and select "manage topics."