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Copilot AI commented Oct 31, 2025

Addressed review feedback to improve documentation structure for MLIP base classes.

Changes

  • Created docs/src/dev-docs/new-mlip.rst: New dedicated guide for adding MLIP-only architectures, moved from inline example in new-architecture.rst
  • Simplified docs/src/dev-docs/utils/mlip.rst: Reduced to automodule directive only (lines 1-7)
  • Enhanced docstrings in MLIPModel and MLIPTrainer: Moved all documentation content into class docstrings, including:
    • Usage examples
    • List of provided functionality
    • Explanation of when rotational augmentation is needed (when invariance is not enforced in the NN architecture)
  • Reverted examples/0-beginner/00-basic-usage.sh: Restored original :ref:tutorials`` reference

The new structure separates the high-level "how to add an MLIP architecture" guide from the API reference, making both easier to find and use.


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Copilot AI commented Oct 31, 2025

Just as a heads up, I was blocked by some firewall rules while working on your feedback. Expand below for details.

Warning

Firewall rules blocked me from connecting to one or more addresses (expand for details)

I tried to connect to the following addresses, but was blocked by firewall rules:

  • ase-lib.org
    • Triggering command: /usr/bin/python3 /home/REDACTED/.local/bin/sphinx-build -E --builder html --doctree-dir docs/build/doctree docs/src docs/build/html (dns block)
  • docs.metatensor.org
    • Triggering command: /usr/bin/python3 /home/REDACTED/.local/bin/sphinx-build -E --builder html --doctree-dir docs/build/doctree docs/src docs/build/html (dns block)
  • docs.python.org
    • Triggering command: /usr/bin/python3 /home/REDACTED/.local/bin/sphinx-build -E --builder html --doctree-dir docs/build/doctree docs/src docs/build/html (dns block)
  • omegaconf.readthedocs.io
    • Triggering command: /usr/bin/python3 /home/REDACTED/.local/bin/sphinx-build -E --builder html --doctree-dir docs/build/doctree docs/src docs/build/html (dns block)
  • pytorch.org
    • Triggering command: /usr/bin/python3 /home/REDACTED/.local/bin/sphinx-build -E --builder html --doctree-dir docs/build/doctree docs/src docs/build/html (dns block)

If you need me to access, download, or install something from one of these locations, you can either:

Copilot AI changed the title [WIP] Add an easier way to integrate an MLIP-only architecture Reorganize MLIP base class documentation into dedicated guide Oct 31, 2025
Copilot AI requested a review from frostedoyster October 31, 2025 18:38
@frostedoyster frostedoyster marked this pull request as ready for review October 31, 2025 18:50
@frostedoyster frostedoyster merged commit 48898ab into mlip Oct 31, 2025
1 check passed
@frostedoyster frostedoyster deleted the copilot/sub-pr-876 branch October 31, 2025 18:50
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