Add instructions for coding agents #15
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awvwgk
commented
Dec 12, 2025
awvwgk
commented
- create AGENTS.md file
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Pull request overview
This PR adds comprehensive guidance documentation for AI coding agents working within the Skala repository. The AGENTS.md file serves as a reference for tools like GitHub Copilot and Cursor to understand repository conventions, development workflows, and best practices specific to this neural network-based DFT functional codebase.
Key Changes
- Created
AGENTS.mdwith detailed instructions covering repository structure, development environment setup, code style conventions, testing practices, documentation guidelines, and common development tasks - Documented architecture components including the functional implementation, PySCF/ASE integrations, and GauXC C++ library
- Provided quick-reference tables for common commands and repository paths
💡 Add Copilot custom instructions for smarter, more guided reviews. Learn how to get started.
Co-authored-by: Copilot <175728472+Copilot@users.noreply.github.com>
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