Some of my python and shell scripts used during my PhD, for atomistic scale simulations using Density Functional Theory.
-
Updated
Sep 12, 2022 - Python
Some of my python and shell scripts used during my PhD, for atomistic scale simulations using Density Functional Theory.
Add a description, image, and links to the vtst topic page so that developers can more easily learn about it.
To associate your repository with the vtst topic, visit your repo's landing page and select "manage topics."