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Update phace - #1212

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ppegolo wants to merge 5 commits into
metatensor:mainfrom
ppegolo:phace-update
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Update phace#1212
ppegolo wants to merge 5 commits into
metatensor:mainfrom
ppegolo:phace-update

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@ppegolo

@ppegolo ppegolo commented Jul 21, 2026

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Bring the phace-large-scale-2 updates to main.

Moreover, this PR renames phace to space.

The name has been changed also in the test checkpoints metadata. No trace of phace is left in the repo, apart from mentions in commit messages and the changelog. This is because the architecture is experimental and unpublished, so in principle there's not need to formally deprecate it. SInce there are some internal checkpoints that might still need updating, here's a script to do so: migrate_phace_checkpoints.py

Contributor (creator of pull-request) checklist

  • Tests updated (for new features and bugfixes)?
  • Documentation updated (for new features)?
  • Issue referenced (for PRs that solve an issue)?

Maintainer/Reviewer checklist

  • CHANGELOG updated with public API or any other important changes?
  • GPU tests passed (maintainer comment: "cscs-ci run")?

📚 Documentation preview 📚: https://metatrain--1212.org.readthedocs.build/en/1212/

@ppegolo ppegolo changed the title Update peace Update phace Jul 21, 2026
@pfebrer

pfebrer commented Jul 22, 2026

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peace has been deprecated :(

@ceriottm

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peace has been deprecated :(

You can only find peace in space

@ppegolo
ppegolo marked this pull request as ready for review July 22, 2026 09:52
@ppegolo
ppegolo requested a review from frostedoyster as a code owner July 22, 2026 09:52
@ppegolo
ppegolo requested a review from pfebrer July 22, 2026 09:52
@pfebrer

pfebrer commented Jul 22, 2026

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So, apart from the renaming it is only the fine-tuning that has been modified?

@pfebrer

pfebrer commented Jul 22, 2026

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Ok I see there was also something on the CG coefficients

@ppegolo

ppegolo commented Jul 22, 2026

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Yes, it's a port of some features that Filippo had in a branch that completely diverged from main. Plus the finetuning, and plus the rename

@@ -12,6 +12,18 @@
from .tensor_product import couple_features_all, uncouple_features_all


def _make_k_max_l(
n_max: List[int], n_channels: int, force_rectangular: bool
) -> List[int]:

@pfebrer pfebrer Jul 22, 2026

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Well actually some explanation of what this function does could be useful probably hahah

@ppegolo
ppegolo force-pushed the phace-update branch 2 times, most recently from c150659 to 4f8de09 Compare July 22, 2026 14:43
@ppegolo

ppegolo commented Jul 23, 2026

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cscs-ci run

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@ppegolo

ppegolo commented Jul 23, 2026

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cscs-ci run

@ppegolo

ppegolo commented Jul 23, 2026

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cscs-ci run

@ppegolo
ppegolo requested a review from pfebrer July 24, 2026 07:58
@ppegolo ppegolo closed this Jul 24, 2026
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3 participants