atomea
Robust data structure for atomistic data
Documentation
Overview¶
Atomea is a Python package for atomistic data and calculations.
Installation¶
atomea
requires Python 3.10 or later.
You can install it using pip, the Python package installer,
or directly from the GitHub main
branch.
Development¶
We use pixi to manage Python environments and simplify the developer workflow.
Once you have pixi installed, move into atomea
directory (e.g., cd atomea
) and install the environment using the command
Now you can activate the new virtual environment using
License¶
This project is released under the Apache-2.0 License as specified in LICENSE.md
.