Develop - #11

Merged

knc6 merged 11 commits into

mainfrom

Aug 6, 2026

Commits on Jun 5, 2026

mag
knc6
committed
53d167c

Commits on Aug 5, 2026

Add slakonet_v1a parameter set; fix ASE forces, stress and total energy
knc6
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1cdfbd8
Faster implementation
knc6
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14909c9
Stop setting global torch debug flags on import; ~6x faster forces
knc6
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3d7e084

Commits on Aug 6, 2026

Version update
knc6
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7dd0992
Add kspacing option to SlakoNetCalculator for per-structure k-meshes
knc6
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edaf3f1
Default to slakonet_v1a
knc6
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045913c
Add get_bandstructure, get_dos and get_HS to both ASE calculators
knc6
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52daf79
Add ASE calculator tests; fix broken README example
knc6
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43a45ac
Trim README, add scaling table, apply black -l 79
knc6
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207fbeb
Make the Colab link a clickable badge
knc6
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8b387a5