Linear-response TDDFT and supercell core-hole calculations of electron energy-loss spectra in polymorphic HfO<sub>2</sub>

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I then added a few more personal preferences and suggested tools from my previous failures working with agents in Python: use uv and .venv instead of the base Python installation, use polars instead of pandas for data manipulation, only store secrets/API keys/passwords in .env while ensuring .env is in .gitignore, etc. Most of these constraints don’t tell the agent what to do, but how to do it. In general, adding a rule to my AGENTS.md whenever I encounter a fundamental behavior I don’t like has been very effective. For example, agents love using unnecessary emoji which I hate, so I added a rule:

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Each puzzle features 16 words and each grouping of words is split into four categories. These sets could comprise of anything from book titles, software, country names, etc. Even though multiple words will seem like they fit together, there's only one correct answer.

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