Code

[r2] v2.2.10#3648

Code

Merged

njzjz merged 42 commits intodeepmodeling:r2deepmodeling/deepmd-kit:r2from njzjz:r2-2.2.10njzjz/deepmd-kit:r2-2.2.10Copy head branch name to clipboardApr 6, 2024

+4,296-3,826

Commits

Commits on Apr 6, 2024

• docs: rewrite README; deprecate manually written TOC (deepmodeling#3179)

  Show description for 286e9c4
  njzjz

  committed
  286e9c4

• build(deps): bump codecov/codecov-action from 3 to 4 (deepmodeling#3231)

  Show description for b8fd121
  

  dependabot[bot]

  and

  njzjz

  committed
  b8fd121

• c: change the required shape of electric field to nloc * 3 (deepmodeling#3237)

  Show description for 3cf84ef
  njzjz

  committed
  3cf84ef

• [pre-commit.ci] pre-commit autoupdate (deepmodeling#3236)

  Show description for dd03758
  

  pre-commit-ci[bot]

  authored and

  njzjz

  committed
  dd03758

• pin docker actions to major versions (deepmodeling#3238)

  Show description for d3efb98
  njzjz

  committed
  d3efb98

• issue template: change TF version to backend version (deepmodeling#3244)

  Show description for e354960
  njzjz

  committed
  e354960

• tf: support checkpoint path (instead of directory) in dp freeze (deepmodeling#3254)

  Show description for b476890
  njzjz

  committed
  b476890

• [pre-commit.ci] pre-commit autoupdate (deepmodeling#3264)

  Show description for c0dc506
  

  pre-commit-ci[bot]

  authored and

  njzjz

  committed
  c0dc506

• [pre-commit.ci] pre-commit autoupdate (deepmodeling#3305)

  Show description for ba81a00
  

  pre-commit-ci[bot]

  and

  njzjz

  committed
  ba81a00

• build(deps): bump the npm_and_yarn group across 1 directories with 1 update (deepmodeling#3312)

  Show description for e942a41
  

  dependabot[bot]

  authored and

  njzjz

  committed
  e942a41

• tf: add fparam/aparam support for finetune (deepmodeling#3313)

  Show description for cdb7fb2
  njzjz

  committed
  cdb7fb2

• bump python to 3.12 in the test environment (deepmodeling#3343)

  Show description for afac0c0
  njzjz

  committed
  afac0c0

• fix_dplr.cpp delete redundant setup (deepmodeling#3344)

  Show description for 61c1b8d
  

  shiruosong

  authored and

  njzjz

  committed
  61c1b8d

• fix_dplr.cpp set atom->image when pre_force (deepmodeling#3345)

  Show description for fe8056d
  

  shiruosong

  authored and

  njzjz

  committed
  fe8056d

• docs: apply type_one_side=True to se_a and se_r (deepmodeling#3364)

  Show description for 1bf218d
  njzjz

  committed
  1bf218d

• bump scikit-build-core to 0.8 (deepmodeling#3369)

  Show description for c877479
  njzjz

  committed
  c877479

• bump LAMMPS to stable_2Aug2023_update3 (deepmodeling#3399)

  Show description for 2408b47
  njzjz

  committed
  2408b47

• fix deepmd-kit-cu11 again (deepmodeling#3403)

  Show description for 01ed383
  njzjz

  committed
  01ed383

• ban print (deepmodeling#3415)

  Show description for 0eede70
  njzjz

  committed
  0eede70

• Add max_ckpt_keep for trainer (deepmodeling#3441)

  Show description for 3509b20
  

  iProzd

  authored and

  njzjz

  committed
  3509b20

• fix: do not install tf-keras for cu11 (deepmodeling#3444)

  Show description for 4ac18c7
  njzjz

  committed
  4ac18c7

• tf: refactor neighbor stat (deepmodeling#3275)

  Show description for 30e57e4
  njzjz

  committed
  30e57e4

• build(deps): bump softprops/action-gh-release from 1 to 2 (deepmodeling#3446)

  Show description for da8f93c
  

  dependabot[bot]

  authored and

  njzjz

  committed
  da8f93c

• [pre-commit.ci] pre-commit autoupdate (deepmodeling#3454)

  Show description for f8a73c1
  

  njzjz

  and

  pre-commit-ci[bot]

  committed
  f8a73c1

• ci: reduce ASLR entropy (deepmodeling#3461)

  Show description for 18d311f
  njzjz

  committed
  18d311f

• Fix LAMMPS plugin symlink path on macOS platform (deepmodeling#3473)

  Show description for 985f92e
  

  chazeon

  authored and

  njzjz

  committed
  985f92e

• [pre-commit.ci] pre-commit autoupdate (deepmodeling#3489)

  Show description for cb0a382
  

  pre-commit-ci[bot]

  authored and

  njzjz

  committed
  cb0a382

• build(deps): bump pypa/cibuildwheel from 2.16 to 2.17 (deepmodeling#3487)

  Show description for 572050f
  

  dependabot[bot]

  authored and

  njzjz

  committed
  572050f

• ci: add linter for markdown, yaml, CSS (deepmodeling#3574)

  Show description for 065ba3e
  

  njzjz

  and

  pre-commit-ci[bot]

  committed
  065ba3e

• test: add LAMMPS MPI tests (deepmodeling#3572)

  Show description for 872373c
  njzjz

  committed
  872373c

• [pre-commit.ci] pre-commit autoupdate (deepmodeling#3599)

  Show description for 164288f
  

  pre-commit-ci[bot]

  authored and

  njzjz

  committed
  164288f

• chore: remove incorrect memset TODOs (deepmodeling#3600)

  Show description for fc8a4fa
  njzjz

  committed
  fc8a4fa

• pin nvidia-cudnn-cu{11,12} to <9 (deepmodeling#3610)

  Show description for 4e7c93a
  njzjz

  committed
  4e7c93a

• chore(build): move static part of dynamic metadata to pyproject.toml (deepmodeling#3618)

  Show description for 6d38230
  njzjz

  committed
  6d38230

• fix: fix type hint of sel (deepmodeling#3624)

  Show description for bf76008
  njzjz

  committed
  bf76008

• [pre-commit.ci] pre-commit autoupdate (deepmodeling#3634)

  Show description for f31fbe8
  

  pre-commit-ci[bot]

  authored and

  njzjz

  committed
  f31fbe8

• fix(tf): make se_atten_v2 masking smooth when davg is not zero (deepmodeling#3632)

  Show description for cb30f41
  njzjz

  committed
  cb30f41

• feat: model devi C/C++ API without nlist (deepmodeling#3647)

  Show description for ac71daa
  

  robinzyb

  authored and

  njzjz

  committed
  ac71daa

• docs: Replace quick_start.ipynb with a new version. (deepmodeling#3567)

  Show description for 93eb00f
  

  Mancn-Xu

  authored and

  njzjz

  committed
  93eb00f

• fix AlmaLinux GPG key error (deepmodeling#3326)

  Show description for 6cc02ad
  njzjz

  committed
  6cc02ad

• docs: add deprecation notice for the official conda channel and more conda docs (deepmodeling#3462)

  Show description for d47e43d
  

  njzjz

  and

  caic99

  committed
  d47e43d

• [r2] fix NeighborStat (#207)

  Show description for 128b6c7
  njzjz

  authored
  128b6c7