CHANGELOG: kk-legacy-v1 (kokkos.npz of the legacy GRACE-1L/2L models)
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CHANGELOG.md
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## v6 — no UQ — *2026-09-29* (initial r²SCAN fine-tunes, v0)
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- **Initial (preliminary, v0) fine-tune of the 2L-OMAT models on the MatPES-r²SCAN and
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## kk-legacy-v1 — no UQ — *2026-10-31* (kokkos.npz of the legacy GRACE-1L/2L models)
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- **Kokkos only, outside the `vX` release numbering:** `kokkos/GRACE-1L-OAM-kokkos.npz`,
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`kokkos/GRACE-1L-OMAT-kokkos.npz`, `kokkos/GRACE-2L-OAM-kokkos.npz` and
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`kokkos/GRACE-2L-OMAT-kokkos.npz`. These are the four early GRACE-1L/2L models (aliases
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`GRACE-1L-OAM_2Feb25`, `GRACE_2L_OAM_28Jan25`), exported for the first time. Their SavedModels and
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checkpoints are unchanged (tags `kk` / `uq-v1`).
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- **`kokkos.npz` format 2:** the legacy layout (tanh radial MLPs, the `silu_n2norm` factor folded into
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the next layer, 1L AAA = AA1 x A, the 2L energy head without RMSNorms). It needs a grace-runtime with
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format-2 support (after 0.1.1); older versions refuse the files and ask for an update.
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- **Validation:** exported with tensorpotential's `export_kokkos` (legacy support); energies, forces
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and stress checked against TF fp64 on the CPU, NVIDIA and AMD GPUs.
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- **No UQ.**
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- Tag: `kk-legacy-v1`. Earlier tags are untouched.
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---
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## v6 — no UQ — *2026-09-29* (initial r²SCAN fine-tunes, v0)
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- **Initial (preliminary, v0) fine-tune of the 2L-OMAT models on the MatPES-r²SCAN and
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