A set of python notebooks for showcasing and explaining calculations involving hetronuclear diatomic molecules, specifically RbCs. Heavily uses the diatom library.
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# Create virtual environment
python3 -m venv "venv"
# Activate virtual environment
source ./venv/bin/acticate
# Install pip tools
pip install pip-tools
# Compile dependencies (implicitly from requirements.in)
pip-compile
# Install dependencies (implicitly from generated requirements.txt)
pip-sync
# Run as script
python ./scripts/raw-dc-stark.py
# ... OR open in jupyter
jupyter notebook
# because of jupytext plugin, can open scripts as notebook
# or % formatted python script
# To leave python venv environment
deactivate