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Merged
knc6 merged 9 commits into from
Aug 14, 2026
Merged

Develop #15

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3cb8978
FF models: rename matpes_smooth->matpes_pbe; add matpes_r2scan (figsh…
knc6 Aug 8, 2026
e97089e
Add optional ZBL short-range repulsion to alignn_atomwise_pure (LAMMP…
knc6 Aug 9, 2026
43d0c47
forward_tensors: match builder line graph via three_body_cutoff; add …
knc6 Aug 9, 2026
ac61adb
ZBL: guard forward(g) ZBL term with calculate_gradient so it only app…
knc6 Aug 10, 2026
1ae2e09
ZBL: auto-enable for force fields via calculate_gradient when use_zbl…
knc6 Aug 10, 2026
d787e10
Register 6 new ALIGNN 2.0 models: 5 alex-supercon kNN (Tc/dosef/debye…
knc6 Aug 12, 2026
d96dd8d
Rename pretrained2.py -> pretrained.py (ALIGNN 2.0 registry now canon…
knc6 Aug 12, 2026
9c09c21
Bump version to 2026.8.11
knc6 Aug 12, 2026
628364a
Update setup.py
knc6 Aug 14, 2026
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2 changes: 1 addition & 1 deletion alignn/__init__.py
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Original file line number Diff line number Diff line change
@@ -1,3 +1,3 @@
"""Version number."""

__version__ = "2026.8.6"
__version__ = "2026.8.11"
1 change: 1 addition & 0 deletions alignn/deprecated/__init__.py
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Original file line number Diff line number Diff line change
@@ -0,0 +1 @@
"""Deprecated ALIGNN modules kept for backward compatibility."""
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