What's Changed
This patch version only contains minor features, bug fixes, enhancements, and documentation improvements.
New features
Enhancement
- Perf: replace unnecessary
torch.split
with indexing by @caic99 in #4505 - Perf: use F.linear for MLP by @caic99 in #4513
- chore: improve neighbor stat log by @njzjz in #4561
- chore: bump pytorch to 2.6.0 by @njzjz in #4575
Bugfix
- Fix: Modify docs of DPA models by @QuantumMisaka in #4510
- fix(pt): fix clearing the list in set_eval_descriptor_hook by @njzjz in #4534
- [fix bug] load atomic_*.npy for tf tensor model by @ChiahsinChu in #4538
- fix: lower
num_workers
to 4 by @caic99 in #4535 - fix: fix YAML conversion by @njzjz in #4565
- fix(cc): remove C++ 17 usage by @njzjz in #4570
- Fix version in DeePMDConfigVersion.cmake by @RMeli in #4577
- fix(pt): detach computed descriptor tensor to prevent OOM by @njzjz in #4547
- fix(pt): throw errors for GPU tensors and the CPU OP library by @njzjz in #4582
- use variable to store the bias of atomic polarizability by @Yi-FanLi in #4581
- Fix: pt tensor loss label name by @anyangml in #4587
- CI: pin jax to 0.5.0 by @njzjz in #4613
- fix(array-api): fix xp.where errors by @njzjz in #4624
Documentation
- docs: fix the header of the scaling test table by @njzjz in #4507
- docs: add
sphinx.configuration
to .readthedocs.yml by @njzjz in #4553 - docs: add v3 paper citations by @njzjz in #4619
- docs: add PyTorch Profiler support details to TensorBoard documentation by @caic99 in #4615
CI/CD
New Contributors
- @QuantumMisaka made their first contribution in #4510
- @RMeli made their first contribution in #4577
Full Changelog: v3.0.1...v3.0.2