GitHub - mcolahan/mole-sim: Code for my PhD level molecular simulations class at Ohio University (CHE 7120)

For my molecular simulation class at Ohio University. To run the notebook, click on the following button.

pbs file is a script to run md.py as a batch job on OSC supercomputer.

Name		Name	Last commit message	Last commit date
Latest commit History 22 Commits
.vscode		.vscode
SimData		SimData
.gitignore		.gitignore
MC.py		MC.py
MD Assignment 1.ipynb		MD Assignment 1.ipynb
MD Assignment 2.ipynb		MD Assignment 2.ipynb
MD Assignment 3.ipynb		MD Assignment 3.ipynb
Monte Carlo.ipynb		Monte Carlo.ipynb
README.MD		README.MD
environment.yml		environment.yml
md.py		md.py
runpython.pbs		runpython.pbs
test.py		test.py

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