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1. Commits on Sep 4, 2026

   • Merge branch 'master' into scikit-learn-upstream

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2. Commits on Aug 27, 2026

   • Merge pull request #104 from ICAMS/claude/ace-cutoff-parameters-di6xyq

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   • tests: import UnitCellFilter from ase.filters, falling back to ase.constraints

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   • CI: install lib/maxvolpy explicitly so the test suite can be collected

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   • Deprecate top-level `cutoff`, always deduce it from bonds::rcut

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3. Commits on Aug 8, 2026

   • Widen scikit-learn constraint to <2

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4. Commits on Jun 5, 2026

   • Remove polyfill script from mkdocs configuration

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5. Commits on Nov 20, 2024

   • Merge pull request #80 from HaithamGaafer/reseting-index-joint_df

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6. Commits on Nov 6, 2024

   • Update pull_request_template.md

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   • Update pull_request_template.md

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   • Create pull_request_template.md

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7. Commits on Nov 5, 2024

   • Resetting indices for joint_df

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8. Commits on Oct 31, 2024

   • Merge pull request #79 from ICAMS/feature/pace_collect_results

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   • pace_collect: extract also stresses and generally calc.results

     

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9. Commits on Oct 10, 2024

   • Update install.md

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   • Update install.md

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10. Commits on Sep 6, 2024

    • Update setup.py

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    • Update install.md

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11. Commits on Sep 3, 2024

    • Update LICENSE.md

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    • Update LICENSE.md

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12. Commits on Jul 22, 2024

    • Update preparedata.py

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13. Commits on Feb 16, 2024

    • BUGFIX: generalfit.py: compute_d_rel_loss_d_step: increase min_loss_depth up to 2 if possible

      

      Yury Lysogorskiy

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    • BUGFIX: generalfit.py: detect_early_stopping: check that is not None and len(d_rel_loss_d_step)>0

      

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    • BUGFIX: generalfit.py: detect_early_stopping: check that d_rel_loss_d_step is not empty

      

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14. Commits on Feb 5, 2024

    • upd doc (add FAQ on early stopping)

      

      Yury Lysogorskiy

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15. Commits on Feb 2, 2024

    • Merge pull request #63 from ICAMS/feature/early_stop

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    • Implementation of early stopping feature.

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16. Commits on Dec 6, 2023

    • Merge pull request #61 from ICAMS/feature/zbl

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17. Commits on Nov 30, 2023

    • pace_corerep: make -d and -a options required, reduce -nnmin to 0.5

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      Yury Lysogorskiy

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18. Commits on Nov 25, 2023

    • all evaluators: add field ace_fcut=fcut

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19. Commits on Nov 24, 2023

    • remove versions python-version "3.11" and "3.12"

      

      Yury Lysogorskiy

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    • add new versions in automatic tests: python-version: ["3.9", "3.10", "3.11", "3.12"]

      

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    • pace_augment: use complement_min_dist_dict

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20. Commits on Nov 23, 2023

    • ace_atoms.cpp: bugfix get_nearest_atom_type_and_distance: return type_i,type_i if no neighbours found

      

      Yury Lysogorskiy

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    • generalfit.py: extract method set_core_rep

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      Yury Lysogorskiy

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