merge devel to master (v3.1.1)#4999

Merged

njzjz merged 94 commits intodeepmodeling:masterfrom

njzjz:devel-3.1.1

Sep 30, 2025

Commits on Jun 11, 2025

merge master to devel (v3.1.0) (#4801)
njzjz
authored

Commits on Jun 16, 2025

build(deps): bump pypa/cibuildwheel from 2.23 to 3.0 (#4805)
dependabot[bot]
authored

Commits on Jun 18, 2025

fix: use tuple in `xp.reshape` (#4808)

caic99
and
pre-commit-ci[bot]
authored
perf: use contiguous memory stride for edge/angle indices (#4804)

caic99
and
pre-commit-ci[bot]
authored
[pre-commit.ci] pre-commit autoupdate (#4807)

pre-commit-ci[bot]
and
njzjz
authored

Commits on Jun 19, 2025

Commits on Jun 20, 2025

Commits on Jun 24, 2025

Commits on Jun 25, 2025

fix: omit virial in dp test summary if not available (#4818)
caic99
authored

Commits on Jun 27, 2025

Commits on Jul 2, 2025

pd: add flag `CINN_ALLOW_DYNAMIC_SHAPE` for better performance with dynamic shape (#4826)
HydrogenSulfate
authored

Commits on Jul 3, 2025

[pre-commit.ci] pre-commit autoupdate (#4829)
pre-commit-ci[bot]
authored

Commits on Jul 8, 2025

Commits on Jul 10, 2025

pd: support dpa3 dynamic shape for pd backend (#4828)
HydrogenSulfate
authored

Commits on Jul 11, 2025

Commits on Jul 15, 2025

fix: fix pytorch in the cuda11 image (#4841)

njzjz
and
pre-commit-ci[bot]
authored

Commits on Jul 16, 2025

[pre-commit.ci] pre-commit autoupdate (#4838)
pre-commit-ci[bot]
authored

Commits on Jul 19, 2025

fix(cc): use insert_or_assign instead of insert (#4844)
CaRoLZhangxy
authored

Commits on Jul 25, 2025

[pre-commit.ci] pre-commit autoupdate (#4845)
pre-commit-ci[bot]
authored

Commits on Jul 28, 2025

build(deps): bump pypa/cibuildwheel from 3.0 to 3.1 (#4851)
dependabot[bot]
authored

Commits on Jul 29, 2025

[pre-commit.ci] pre-commit autoupdate (#4852)
pre-commit-ci[bot]
authored

Commits on Aug 1, 2025

Commits on Aug 2, 2025

refactor(training): Average training loss for smoother and more representative logging (#4850)

authored

Commits on Aug 4, 2025

docs: add bfloat16 option to the model precision choice (#4866)
caic99
authored

Commits on Aug 5, 2025

Commits on Aug 6, 2025

doc: fix inconsistency between the docstring and the implementation of argument `auto_batch_size` of `DeepEval` with paddle and pytorch backend (#4865)

authored

Commits on Aug 7, 2025

Commits on Aug 8, 2025

feat(pd): support dpa2/dpa3 C++ inference (#4870)

HydrogenSulfate
and
pre-commit-ci[bot]
authored

Commits on Aug 10, 2025

Profile bug fix when both enable_profiler and profiling are set to true. (#4855)

authored

Commits on Aug 11, 2025

Commits on Aug 12, 2025

Commits on Aug 13, 2025

Commits on Aug 15, 2025

Commits on Aug 18, 2025

Commits on Aug 19, 2025

Commits on Aug 23, 2025

Fix(pt): add comm_dict for zbl, linear, dipole, dos, polar model to fix bugs mentioned in issue #4906 (#4908)
OutisLi
authored

Commits on Aug 25, 2025

Commits on Aug 27, 2025

Commits on Aug 28, 2025

feat(ci): skip workflows on bot branches to avoid redundant CI runs (#4916)

Copilot
and
njzjz
authored

Commits on Aug 29, 2025

Commits on Aug 31, 2025

feat: support using train/valid data from input.json for dp test (#4859)

caic99
and
pre-commit-ci[bot]
authored

Commits on Sep 3, 2025

docs(lmp): fix the usage of LAMMPS `pair_style hybrid/overlay` (#4951)
njzjz
authored

Commits on Sep 4, 2025

feat(dp/pt): add default_fparam (#4888)
iProzd
authored

Commits on Sep 5, 2025

chore(deps): bump LAMMPS to stable_22Jul2025_update1 (#4955)
njzjz
authored

Commits on Sep 8, 2025

Commits on Sep 9, 2025

[pre-commit.ci] pre-commit autoupdate (#4968)
pre-commit-ci[bot]
authored

Commits on Sep 15, 2025

Commits on Sep 16, 2025

perf: fix cuda-aware mpi in v3 (#4977)

caic99
and
pre-commit-ci[bot]
authored

Commits on Sep 17, 2025

Commits on Sep 18, 2025

Commits on Sep 19, 2025

docs: clarify atomic_dipole meaning for DPLR models (#4979)

Copilot
and
njzjz
authored

Commits on Sep 23, 2025

[pre-commit.ci] pre-commit autoupdate (#4989)
pre-commit-ci[bot]
authored

Commits on Sep 28, 2025

pd(feat): support python inference with `DP` class (#4987)

HydrogenSulfate
and
njzjz
authored

Commits on Sep 29, 2025