Deepmd-kit

New features
* lmp: support `unit real` by njzjz and Yi-FanLi in https://github.com/deepmodeling/deepmd-kit/pull/2775 https://github.com/deepmodeling/deepmd-kit/pull/2790 https://github.com/deepmodeling/deepmd-kit/pull/2800
* add linear models that are linear combination of DP models by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2781
* support atomic/relative model deviation in CLI by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2801
* make pairwise_dprc model work with MPI by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2818

Merge cuda and rocm code
* merge cuda and rocm files by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2844
* merge CUDA and ROCm codes in op by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2847

Enhancement
* lmp: throw error for traditional installation if dependent packages are not installed by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2777
* lmp: add the header for atomic model deviation by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2778
* check status of allocate_temp by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2782
* do not sort atoms in dp test by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2794
* lmp: `fix_dplr` use the same `type_map` from `pair_deepmd` by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2776
* check status of allocate_temp by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2797
* fix np.loadtxt DeprecationWarning by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2802
* `ndarray.tostring` -> `ndarray.tobytes` by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2814
* `tf.accumulate_n` -> `tf.add_n` by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2815
* `tf.test.TestCase.test_session` -> `tf.test.TestCase.cached_session` by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2816
* make the pairwise DPRc model 2x faster by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2833
* prod_env_mat: allocate GPU memory out of frame loop by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2832
* refactor model version convert by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2854
* bump LAMMPS version to stable_2Aug2023_update1 by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2859

Documentation
* docs: improve checkpoint description by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2784
* fix grammatical errors by Yi-FanLi in https://github.com/deepmodeling/deepmd-kit/pull/2796
* docs: add doc to install cmake by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2805
* docs: add docs for addtional CMake arguments via pip by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2806
* add citation for fparam by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2821
* add citation for `aparam` by mingzhong15 in https://github.com/deepmodeling/deepmd-kit/pull/2825
* docs: rewrite coding conventions by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2855

Build and release
* migrate Python build backend to scikit-build-core by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2798
* drop old GCC versions in test by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2812
* speed up GitHub Actions by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2822
* improve configurations of Python lint tools by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2823
* fix CTest by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2828
* add tox configutation by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2829
* use parse_version from packaging.version instead of pkg_resources by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2830
* build linux-aarch64 wheel on self-hosted runner by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2851
* add test cuda workflow by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2848
* cmake: use pip to install tensorflow by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2858
* cmake: use modern `HIP` language by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2857
* download cub using CMake FetchContent by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2870

Bug fixing
* fix dp test atomic polar; add UTs for dp test by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2785
* ignore drdq when generalized force loss is not set by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2807
* lmp: let fparam_do_compute not execute by default by Yi-FanLi in https://github.com/deepmodeling/deepmd-kit/pull/2819
* Fix invalid escape sequence by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2820
* fix missing version file with setuptools-scm v8 by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2850
* fix compatibility with NumPy 1.26 by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2853
* fix finetune RMSE and memory issue by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2860
* fix the issue of applying modifier multiple times when batch set is load only once by wanghan-iapcm in https://github.com/deepmodeling/deepmd-kit/pull/2864

**Full Changelog**: https://github.com/deepmodeling/deepmd-kit/compare/v2.2.4...v2.2.5

Breaking changes
* breaking: dp test all data by default by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2756

New features
* support mapping to ghost type by link89 in https://github.com/deepmodeling/deepmd-kit/pull/2732
* Added atomic dipole to test.py by hanao2 in https://github.com/deepmodeling/deepmd-kit/pull/2747
* feat: calculate the real error in dp model-devi by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2757
* feat: add se_atten_v2 descriptor by iProzd in https://github.com/deepmodeling/deepmd-kit/pull/2755

Enhancement
* enable check_json hook by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2760

Bug fixings
* fix documentation url in pyproject.toml by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2742
* fix bug in deepmd.infer.deep_pot.DeepPot by ChiahsinChu in https://github.com/deepmodeling/deepmd-kit/pull/2731
* Use `module.__path__[0]` instead of `module.__file__` by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2769

New Contributors
* link89 made their first contribution in https://github.com/deepmodeling/deepmd-kit/pull/2732
* hanao2 made their first contribution in https://github.com/deepmodeling/deepmd-kit/pull/2747

**Full Changelog**: https://github.com/deepmodeling/deepmd-kit/compare/v2.2.3...v2.2.4

Breaking changes
* breaking(lmp): fix definition of cvatom by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2678
* breaking: change the default value of `rcond` from `1e-3` to `None` by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2688
* breaking: add energy bias to tab potential by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2670

New features
* Support minimization in dplr by Yi-FanLi in https://github.com/deepmodeling/deepmd-kit/pull/2584
* prod_force_grad: support multiple frames in parallel by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2601
* prod_force: support multiple frames in parallel by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2600
* Enable model compression for se_atten by nahso in https://github.com/deepmodeling/deepmd-kit/pull/2532
* Fix DPLR: Support time-dependent efield by Yi-FanLi in https://github.com/deepmodeling/deepmd-kit/pull/2625
* support fparam/aparam in dp model-devi by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2665
* add pairwise DPRc by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2682
* nvnmd-v1 with 31-type chemical species by LiuGroupHNU in https://github.com/deepmodeling/deepmd-kit/pull/2676
* support generalized force loss by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2690
* add args decorator for fitting and loss by ChiahsinChu in https://github.com/deepmodeling/deepmd-kit/pull/2710

Enhancement
* refactor: uncouple Descriptor and Fitting from Trainer by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2549
* ProdEnvMatAMixOp: move filter_ftype out of nsamples loop by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2604
* set specific mesh shapes for mixed type by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2481
* add SPDX ID to each file by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2639
* insert license to C++ header files by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2652
* Enhance the precision in the data format conversion tool raw_to_set.sh by Vibsteamer in https://github.com/deepmodeling/deepmd-kit/pull/2654
* improve CLI performance by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2696
* raise error if both v1 and v2 parameters are given by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2714
* symlink `model.ckpt.*` to relative paths by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2720

Documentation
* docs: add nodejs to toc by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2562
* docs: fix a typo in cxx.md by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2578
* improve docs and scripts to install libtensorflow_cc 2.12 by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2571
* docs: change `set-rpath` to `add-rpath` by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2587
* docs: clarify batch_size when MPI is used by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2585
* Se atten examples by wanghan-iapcm in https://github.com/deepmodeling/deepmd-kit/pull/2633
* Add zbl example by Chengqian-Zhang in https://github.com/deepmodeling/deepmd-kit/pull/2613
* docs: fix a typo in README TOC by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2651
* add precision arguments explicitly to examples by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2659
* docs: add the link to the compiler that TF uses by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2675
* update citation information by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2711

Build and release
* remove unnecessary files from pypi source distribution by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2565
* fix deepspin.pbtxt by hztttt in https://github.com/deepmodeling/deepmd-kit/pull/2566
* reduce model size for dplr unittest by Yi-FanLi in https://github.com/deepmodeling/deepmd-kit/pull/2561
* Add unittest for dp_ipi by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2574
* Reduce dp mask pb size and fix bug in dim_fparam/dim_aparam fetching by dingye18 in https://github.com/deepmodeling/deepmd-kit/pull/2588
* fix large files checking by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2564
* apply the C4 rule (flake8-comprehensions) by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2610
* build macOS arm64 wheels by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2616
* fix uploading C++ coverage for test_python workflow by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2622
* Insert braces after control statements in C++ by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2629
* cmake: migrate from `FindCUDA` to CUDA language by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2634
* set cmake_minimum_required for CUDA/ROCm by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2695
* report code coverage for cli by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2719
* bump lammps to stable_2Aug2023 by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2717

Bug fixings
* cmake: fix a typo in nodejs cmake file by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2563
* fix dplr: correct type check in get_valid_pairs by Yi-FanLi in https://github.com/deepmodeling/deepmd-kit/pull/2580
* fix_dplr: make pppm_dplr optional by Yi-FanLi in https://github.com/deepmodeling/deepmd-kit/pull/2581
* fix the missing modifier issue of dp compress by Yi-FanLi in https://github.com/deepmodeling/deepmd-kit/pull/2591
* Reduce dp mask pb size and fix bug in dim_fparam/dim_aparam fetching by dingye18 in https://github.com/deepmodeling/deepmd-kit/pull/2588
* import deepmd.op in infer.data_modifier by Yi-FanLi in https://github.com/deepmodeling/deepmd-kit/pull/2592
* fix memory leaking in test_env_mat_a_mix.cc by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2596
* pass ntypes to sub descriptors in the hybrid descriptor by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2611
* fix se_atten variable names when suffix is given by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2631
* fix hybrid compute stat when using mixed_type by iProzd in https://github.com/deepmodeling/deepmd-kit/pull/2614
* fix se_atten compression when suffix is given by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2635
* docs: fix the link of DOI badge by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2643
* synchronize in the beginning of all CUDA functions by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2661
* fix: sort aparam in the Python API by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2666
* fix: sort aparam in the C++ API by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2667
* fix se_atten tabulate when `exclude_types` is given by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2679
* fix TestDeepPotAPBCExcludeTypes by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2680
* make only the local GPU visible by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2716


New Contributors
* nahso made their first contribution in https://github.com/deepmodeling/deepmd-kit/pull/2532
* Chengqian-Zhang made their first contribution in https://github.com/deepmodeling/deepmd-kit/pull/2613
* Vibsteamer made their first contribution in https://github.com/deepmodeling/deepmd-kit/pull/2654

**Full Changelog**: https://github.com/deepmodeling/deepmd-kit/compare/v2.2.2...v2.2.3

New features
* Support different learning rate settings for each fitting net in multi-task mode by HuangJiameng in https://github.com/deepmodeling/deepmd-kit/pull/2348
* support the DOS (electronic density of states) fitting by mingzhong15 in https://github.com/deepmodeling/deepmd-kit/pull/2449
* add sub fields of hybrid descriptor by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2484
* Deep spin new by hztttt in https://github.com/deepmodeling/deepmd-kit/pull/2304
* add Node.js interface by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2524
* prefetch data during training by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2534
* make Fittings pluginable by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2541

C and header only C++
* C API: support fparam and aparam for DeepPot by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2415
* add read_file_to_string to C API by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2412
* C: support fparam/aparam for DP model devi by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2486
* C: add select_by_type and select_map by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2491
* hpp: add compute_avg, compute_std, etc by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2493
* migrate from C API to hpp API by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2506
* allow building lmp/gmx from pre-compiled C library by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2514
* c: pass errors for read_file_to_string by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2547

Build and release
* bump to TF 2.12 by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2422
* support xla for CUDA pip packages by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2427
* disable Findtensorflow caches for skbuild by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2464
* using trusted publishing in upload_pypi by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2496
* remove _GLIBCXX_USE_CXX11_ABI macro for libraries linking against the C library by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2527
* use pypi lammps to test lammps plugin by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2548
* test lmp for linux wheel by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2550
* update package classifiers by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2558
* bump lammps to stable_23Jun2022_update4 by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2495
* Bump docker/login-action from 1.10.0 to 2.1.0 by dependabot in https://github.com/deepmodeling/deepmd-kit/pull/2411
* Bump pypa/cibuildwheel from 2.12.1 to 2.12.3 by dependabot in https://github.com/deepmodeling/deepmd-kit/pull/2478
* Bump docker/metadata-action from 4.3.0 to 4.4.0 by dependabot in https://github.com/deepmodeling/deepmd-kit/pull/2477

Enhancements
* Docs: Fix typo in parallel-training.md by caic99 in https://github.com/deepmodeling/deepmd-kit/pull/2438
* docs: add links to documentation in LAMMPS input by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2453
* Create DeePMD-kit_Quick_Start_Tutorial_EN.ipynb by Q-Query in https://github.com/deepmodeling/deepmd-kit/pull/2459
* use `error->one` for `get_file_content`
by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2473
* improve citation information by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2474
* lmp: extract deepmd version information to a seperated file by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2480
* docs: fix the link to the bib file by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2485
* add tests for dos training example by mingzhong15 in https://github.com/deepmodeling/deepmd-kit/pull/2488
* lmp: remove codes to calculate energy deviation by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2492
* Add training_data key in zinc_se_a_mask.json by dingye18 in https://github.com/deepmodeling/deepmd-kit/pull/2489
* clean unused methods in C++ API by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2498
* print model deviation of total energy per atom in `dp model_devi` by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2501
* raise a clear message when no set is found in a system by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2503
* catch tf.errors.CancelledError for OOM by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2504
* lmp: add tests for compute deeptensor/atom by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2507
* improve messages for model compatability
by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2518
* lmp/ipi: remove float precision by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2519
* remove warnings of batch size for mixed systems training by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2470
* remove unmaintained dp config by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2540
* docs: add train-energy-spin and train-fitting-dos to toctree by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2546
* Dplr unittest by Yi-FanLi in https://github.com/deepmodeling/deepmd-kit/pull/2545

Bug fixings
* fix typo by kmu in https://github.com/deepmodeling/deepmd-kit/pull/2404
* fix lmp_version.sh by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2417
* `source` a relative path by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2420
* set mixed_type to True for mixed systems by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2428
* keep the file permission when `make lammps` by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2414
* nvnmd: fix some warnings about matmul_flt_nvnmd by LiuGroupHNU in https://github.com/deepmodeling/deepmd-kit/pull/2430
* fix: avoid `using namespace std;` in header files by e-kwsm in https://github.com/deepmodeling/deepmd-kit/pull/2437
* fix C API documentation by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2424
* fix: descriptor function doc by AnuragKr in https://github.com/deepmodeling/deepmd-kit/pull/2440
* Fix dplr error by Yi-FanLi in https://github.com/deepmodeling/deepmd-kit/pull/2436
* fix the header of "lr" by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2462
* fix nopbc in finetune, DeepTensor test, and DipoleChargeModifier by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2461
* fix build_type_exclude_mask when nloc != nall by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2505
* fix dtype in PairTabOp by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2500
* lmp: forward errors to error->one instead of error->all by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2539
* fix se_e3 tabulate op by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2552
* Fix model-devi with mixed_type format by iProzd in https://github.com/deepmodeling/deepmd-kit/pull/2433

New Contributors
* pre-commit-ci made their first contribution in https://github.com/deepmodeling/deepmd-kit/pull/2416
* e-kwsm made their first contribution in https://github.com/deepmodeling/deepmd-kit/pull/2437
* Q-Query made their first contribution in https://github.com/deepmodeling/deepmd-kit/pull/2459
* hztttt made their first contribution in https://github.com/deepmodeling/deepmd-kit/pull/2304

**Full Changelog**: https://github.com/deepmodeling/deepmd-kit/compare/v2.2.1...v2.2.2

New features
* support mixed natoms training by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2366
* support mixed systems training by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2372

Enhancement
* link op library with protobuf by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2391

CICD
* Bump actions/checkout from 2 to 3 by dependabot in https://github.com/deepmodeling/deepmd-kit/pull/2381
* Bump pypa/cibuildwheel from 2.11.3 to 2.12.1 by dependabot in https://github.com/deepmodeling/deepmd-kit/pull/2382
* Bump docker/metadata-action from 3.3.0 to 4.3.0 by dependabot in https://github.com/deepmodeling/deepmd-kit/pull/2383
* Bump actions/upload-artifact from 2 to 3 by dependabot in https://github.com/deepmodeling/deepmd-kit/pull/2384
* Bump docker/build-push-action from 2.5.0 to 4.0.0 by dependabot in https://github.com/deepmodeling/deepmd-kit/pull/2385
* fix the version of pypa/gh-action-pypi-publish by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2389

Bug fixings
* atype_filter should have the shape of nloc by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2390
* Fix incompatibility after fixing the incontinuity of se_atten by iProzd in https://github.com/deepmodeling/deepmd-kit/pull/2397
* fix pdf docs by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2401
* clean old handlers before adding new one by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2400

New Contributors
* dependabot made their first contribution in https://github.com/deepmodeling/deepmd-kit/pull/2381

**Full Changelog**: https://github.com/deepmodeling/deepmd-kit/compare/v2.2.0...v2.2.1

New features
* support C API by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/1098
* add get cutoff, numb_types, and type_map to C API by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2061
* c: support neighbor list input in the C API by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2106
* c: support DeepPot model deviation in the C API by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2112
* c: fix `ComputeNlist` -> `ComputeNList` in the C API by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2119
* c: fix bug in hpp float interface and add tests by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2128
* c: DeepTensor by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2184
* add a header-only C++ DeepPot class based on C library by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2079
* c: add DipoleChargeModifier by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2204
* merge print_summary and add it to C API by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2207
* support multiple frames DeepPot in C/hpp API by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2309
* support exceptions in C/hpp APIs by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2344
* support the multi-task training api by iProzd in https://github.com/deepmodeling/deepmd-kit/pull/2093
* support the finetune api by iProzd in https://github.com/deepmodeling/deepmd-kit/pull/1946
* supports left hands volume by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/1956
* support bfloat16 by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/1970
* support DPRc + type embedding by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2166
* support the custom training times for each frame by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2208
* support init_frz_model api for multi model by iProzd in https://github.com/deepmodeling/deepmd-kit/pull/2206
* support sharing fitting network parameters by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2211
* support dp test with a .txt file specifying the test data dirs by HuangJiameng in https://github.com/deepmodeling/deepmd-kit/pull/2235
* support `DeepEval.eval_typeebd` to get type embedding by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2244
* assign type map for LAMMPS `pair_style deepmd` by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2267
* support restarting from compressed checkpoints by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2253
* update frame parameter by LAMMPS compute command by mingzhong15 in https://github.com/deepmodeling/deepmd-kit/pull/2254
* nvnmd supports floating point number training and inference by LiuGroupHNU in https://github.com/deepmodeling/deepmd-kit/pull/2225
* support multiple frames inference with C++ DeepPot by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2305
* Implementation of se_a_mask op by dingye18 in https://github.com/deepmodeling/deepmd-kit/pull/2313
* support exclude_types for se_atten by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2315
* support mixed numbers of atoms with mixed_type by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2345
* add C++/C/hpp mixed type inference interface by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2360

Enhancements
Python
* dp test output files: energy per atom, virial per atom by likefallwind in https://github.com/deepmodeling/deepmd-kit/pull/2029
* log HIP_VISIBLE_DEVICES for ROCm by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2032
* move run_config.ini into the root directory by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2098
* skip `get_gpus` subprocess when TF is cpu only by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2135
* add Optional to type hints when default is None by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2139
* optimize FioBin.save by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2143
* open the graph file only once in compress by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2144
* refactor enable_compression by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2147
* store energy bias with interface precision by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2174
* bump minimal dargs version to 0.2.9 by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2240
* add JIT option by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/1730
* load training data once from disk if there is only one set by wanghan-iapcm in https://github.com/deepmodeling/deepmd-kit/pull/2264
* print average training time by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2308
* print MAE for `dp test` by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2310
* auto detect model version by Yi-FanLi in https://github.com/deepmodeling/deepmd-kit/pull/2318
* support multiple sets in one system for mixed_type format by iProzd in https://github.com/deepmodeling/deepmd-kit/pull/2343
* copy std when expanding `sel` by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2347
Core
* dynamically load CUDA runtime library by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2082
* support CUDA 12.0 by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2205
* add CUDA Toolkit to optional dependencies by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2219
* load libcublasLt before libcublas by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2241
C++
* uncouple model precision and interface precision by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2031
* merge double and float cc library by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2033
OP
* remove OP_LIB from op_abi by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2150
* enable openmp for gelu by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2375
LAMMPS
* lmp: throw errors when 6-element atomic virial requested by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/1983
* enable ttm without a patch by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2055
* bump lammps to stable_23Jun2022_update2 by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2053
* Change gridcomm into grid3d in pppm_dplr.cpp to support LAMMPS after 20221222 by Yi-FanLi in https://github.com/deepmodeling/deepmd-kit/pull/2300
* bump LAMMPS version to stable_23Jun2022_update3 by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2336
Build and release
* CMake
* use CPP_CXX_ABI for Python libraries by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/1960
* find protobuf headers in an automatic way by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/1975
* search TF deps from LD_LIBRARY_PATH; eliminate errors by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/1976
* CMake config
* export c++ library to cmake config by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2049
* export C library to cmake config by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2059
* refactor `USE_TF_PYTHON_LIBS` by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2177
* add an option to enable native compilation optimization by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2151
* added option to read HIPCC_FLAGS environment variable. by sigbjobo in https://github.com/deepmodeling/deepmd-kit/pull/2269
* fix cmake syntax for `USE_TF_PYTHON_LIBS` by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2291
* remove dependencies on _pywrap_tensorflow_internal and libpython for TF 2.12 by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2335
* improve cxx11 abi flags and messages for Red Hat Developer Toolset by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2363
* Python and wheel building
* migrate cibuildwheel configs to pyproject.toml and add tests by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2000
* migrate from setup.cfg to pyproject.toml by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2011
* migrate to PEP 517 and PEP 621 by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2035
* store TF version in the wheel's extras_require by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2084
* fix win64 builds and add win64 wheels by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2085
* enable CUDA for linux-64 wheels by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2087
* add macos-64 wheels by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2088
* pin manylinux image to a specific tag for GCC 11 by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2137
* retag wheels to `py37-none-<platform>` by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2180
* build wheels for Linux ARM64 by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2179
* pip install lammps module by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2186
* pass `--prefer-binary` to cibuildwheel by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2274
* package dp_ipi in the PyPI wheels by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2320
* build_tf.py
* build_tf.py: support ROCm; bump to TF 2.10 by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2030
* build_tf.py: export `LD_LIBRARY_PATH` when executing `configure` by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2185
* build, package, and release C library by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2072
* perceive LAMMPS version for built-in mode by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/1950
* build Docker images for each push by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2324
Test
* enable gcov for Python tests by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/1969
* add unittests for LAMMPS pair deepmd by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/1977
* c++: add clang tests and fix clang errors by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/1992
* refactor: merge tests into the main cmake project by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2102
* merge double and float cc tests by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2108
* add ut for dp convert-from by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2175
* Add unit test TestSelectByType by Yi-FanLi in https://github.com/deepmodeling/deepmd-kit/pull/2337
* Add C++ unittests for deepmd::select_map, deepmd::read_file_to_string, and deepmd::deepmd_exception by Yi-FanLi in https://github.com/deepmodeling/deepmd-kit/pull/2338
* always pass the codecov status by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2356
* set Codecov patch threshold to 100% by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2364
* Test se_a_ebd to increase test coverage by kmu in https://github.com/deepmodeling/deepmd-kit/pull/2353
* speed up the UTs
* print out the time of each Python unit test by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2116
* speed up test_neighbor_stat by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2120
* speed up tests with CLI by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2121
* CI
* upgrade ubuntu-18.04 by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2096
* add pass step to GitHub Actions by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2141
* give pass actions different names by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2142
* use dependabot to update github actions by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2260
Code cleanup
* clean deprecated codes by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2140
* prepare for formatting codes by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2281
* add and run pre-commit to format codes by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2279
* add .git-blame-ignore-revs for git blame by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2294
* Cleanup with flake8 E and F rule sets by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2306
* apply pydocstyle and pyupgrade rule sets by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2340
* clean unused import by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2349
* add Optional to type hints when default is None by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2361

Documents
* docs: document lammps keyword `relative_v`, `aparam`, and `ttm` by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2060
* add dp test help doc by likefallwind in https://github.com/deepmodeling/deepmd-kit/pull/2038
* docs: fix HDF5 path by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2076
* docs: document pip install by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2091
* docs: document the conda-forge channel by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2095
* docs: fix spellings and grammars by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2114
* docs: rewrite docs for parallelism by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2099
* docs: add a FAQ about precision by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2115
* docs: add a note about lammps runpath by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2156
* the se-2 descriptor is multi-body by amcadmus in https://github.com/deepmodeling/deepmd-kit/pull/2069
* add header only library example by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2083
* Update python.md by LiangWenshuo1118 in https://github.com/deepmodeling/deepmd-kit/pull/2158
* docs: fix the link in README by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2197
* Add ABACUS to the interface part. by caic99 in https://github.com/deepmodeling/deepmd-kit/pull/2199
* [ImgBot] Optimize images by imgbot in https://github.com/deepmodeling/deepmd-kit/pull/2200
* docs: typo correction in docstring by AnuragKr in https://github.com/deepmodeling/deepmd-kit/pull/2224
* docs: update docs for type_one_side by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2263
* docs: fix the docs of numb_btch by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2257
* docs: add the logo by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2297
* dark mode for the logo by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2301
* Fix typo in install docs by caic99 in https://github.com/deepmodeling/deepmd-kit/pull/2325
* Add examples for "auto" mode of dp convert-from by Yi-FanLi in https://github.com/deepmodeling/deepmd-kit/pull/2330
* add an URL to the warning of parallelism by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2362
* Add docs for 'None' activation functions. by iProzd in https://github.com/deepmodeling/deepmd-kit/pull/2376

Important bug fixings:
* Enforce `set_davg_zero` to be true in `se_atten` descriptor by iProzd in https://github.com/deepmodeling/deepmd-kit/pull/2350

Bug fixings
* fix gcov coverage by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/1951
* Fix typo of radisu by kmu in https://github.com/deepmodeling/deepmd-kit/pull/1954
* fix compatible with importlib_metadata 5.0.0 and Python 3.12 by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/1961
* fix googletest download by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/1949
* fix typo in the doc of `loc_frame` by amcadmus in https://github.com/deepmodeling/deepmd-kit/pull/1963
* replace `:` by `;` from `LD_LIBRARY_PATH` in cmake by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/1982
* CVE-2007-4559 Patch by TrellixVulnTeam in https://github.com/deepmodeling/deepmd-kit/pull/1984
* use float/double constants for spline5_switch by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/1985
* remove duplicated `convert_13_to_21` by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/1986
* resolve macos clang errors by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/1993
* fix Findtensorflow when LD_LIBRARY_PATH is empty by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2010
* fix OP_CXX_ABI for TF>=2.9 by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2013
* Fix compatibility with ROCm>=3.5.1; fix typo in hip neighbor_list by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2012
* fix python inference on windows by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2054
* cmake: set TensorFlow as import libraries by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2056
* build_tf.py: mirror fixes by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2057
* build_tf.py: roll back TF version to 2.9 by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2065
* fix type hints errors by Angel-Jia in https://github.com/deepmodeling/deepmd-kit/pull/2070
* improve building wheel workflow by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2074
* skip checking `_GLIBCXX_USE_CXX11_ABI` on windows or osx by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2075
* fix codecov by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2097
* fix TF compile warnings about Status::OK by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2109
* Fix version 0.12 model conversion by Yi-FanLi in https://github.com/deepmodeling/deepmd-kit/pull/2110
* add shuffle_exclude_empty to DeepPot.compute(nlist, atomic) by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2111
* fix invalid escape sequence in strings by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2122
* add precompile headers by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2123
* fix the missing header in api_c tests by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2131
* do not apply automatic batch size on CPUs by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2148
* pass user defined CUDA_NVCC_FLAGS and HIP_HIPCC_FLAGS by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2168
* Fixed a typo inside function comment by AnuragKr in https://github.com/deepmodeling/deepmd-kit/pull/2193
* fix pass actions by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2194
* fix per atom energy test results for multiple systems by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2220
* fix `dp freeze` for multi-task when `atom_ener` is set by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2239
* prevent logging messages from other modules by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2256
* do not loop using `np.append` by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2259
* dismiss warnings when `batch_size` is `auto` by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2258
* fix: provide get_nlist method for hybrid descriptor by wanghan-iapcm in https://github.com/deepmodeling/deepmd-kit/pull/2288
* fix deprecated `logging.warn` by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2295
* fix the installation path of `dp_ipi` by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2296
* fix docstrings to follow the numpydoc style guide by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2298
* Fix bugs 2284 when using hybrid descriptor with se_atten by iProzd in https://github.com/deepmodeling/deepmd-kit/pull/2302
* fix bug 2311 when using FP32 in se_atten by iProzd in https://github.com/deepmodeling/deepmd-kit/pull/2312
* fix restarting from the original model by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2317
* fix TF version detection of release candidate version by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2332
* fix macOS library suffix for TF 2.12 by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2333
* Delete dp4mask.pb.... by dingye18 in https://github.com/deepmodeling/deepmd-kit/pull/2328
* fix `TestReadFileToString.readfiletostring` by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2355
* fix ROCm tabulate_fusion_se_a_grad_fifth_order_polynomial by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2357
* fix cuda installation for building wheels by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2359
* fix: add declaration of strlen to deepmd.hpp by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2358
* fix C++ inference of multiple frames with fparam/aparam by njzjz in https://github.com/deepmodeling/deepmd-kit/pull/2351


New Contributors
* kmu made their first contribution in https://github.com/deepmodeling/deepmd-kit/pull/1954
* TrellixVulnTeam made their first contribution in https://github.com/deepmodeling/deepmd-kit/pull/1984
* Angel-Jia made their first contribution in https://github.com/deepmodeling/deepmd-kit/pull/2070
* LiangWenshuo1118 made their first contribution in https://github.com/deepmodeling/deepmd-kit/pull/2158
* AnuragKr made their first contribution in https://github.com/deepmodeling/deepmd-kit/pull/2193
* imgbot made their first contribution in https://github.com/deepmodeling/deepmd-kit/pull/2200
* HuangJiameng made their first contribution in https://github.com/deepmodeling/deepmd-kit/pull/2235
* sigbjobo made their first contribution in https://github.com/deepmodeling/deepmd-kit/pull/2269
* mingzhong15 made their first contribution in https://github.com/deepmodeling/deepmd-kit/pull/2254

**Full Changelog**: https://github.com/deepmodeling/deepmd-kit/compare/v2.1.5...v2.2.0