Introduction to classical atomistic simulations and molecular dynamics in Python.
License: Other
Simple Python scripts for introductory exercises with classical atomistic simulations in Python.
The scripts had been copied from the "pylj" project in 2024, and modified.
The scripts do not need to be installed. But there are other packages that are required to be installed. Those packages can be installed with the following command in OS shell:
pip install -r requirements.txt
In JupyterLab open any of the notebooks in the top directory.
Andrew R. McCluskey - the author of the "pylj" project.
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