Deepmd-kit

New features:
- support the plugin for GROMACS (1160 1169 )
- support the `init-frz-model` option for `se_r` and `se_t` (1144)
- support data in hdf5 format (1163)
- automatic batch size for the inference of DP (1165 1154 1173 )
- Allow to scale LR in parallel training in different ways. (1167)

Enhancement for developers:
- support descriptor plugin (1118 1143 )
- support lammps 20210831 (1129)

Bug fixings:
- explicitly set lammps' neighbor request to full to fix bug 1109
- Add init-frz-model command support to the frozen model generated by this command (1137)
- Add error message for repeated model compression (1136)
- doc related improvements and bug fixings (1141 1131 1147 1156 1153 1171 )
- Fix freezing error on checkpoint from parallel training. (1166)

New features:
- correct heat flux calculation: interface for deepmd with the centroids atoms, full 3x3 "atomic-virial" (1093).
- Enable init-frz-model support for the original model (1102 1107 )
- support init-frz-model for hybrid descriptor (1112)

Enhancements:
- use `np.testing.assert_almost_equal` for array comparing (1059)
- set `allow_growth` in `default_tf_session_config` (1067)
- Enable parallel training UT in GitHub CI. (1075)
- create cross-references in docstring (1083)
- add ABC for descriptors (1081)
- merge duplicated NeighborStat.get_stat (1103)

Bug fixings:
- fix hybrid descriptor training error (1052)
- bugs and memory issues in UTs (1056 1066 )
- copy `all_virial` for float precision (1069)
- fix building problem on macos (1071)
- use loader_path on macos instead of $ORIGIN (1078)
- Revert "get library extension suffix from built-in method" 1072
- undo reset lcurve.out during the model compression process (1080)
- fix typo: `lcueve.out`->`lcurve.out` (1077)
- create model compression checkpoint, avoid overwriting original checkpoint (1076)
- Fix shape mismatch when type_embedding is enabled and type_one_side is disabled (1074 )
- reduce `rcut` and `sel` in the example of `se_e3` (1082)
- Fix a potential slice bug in se_t descriptor (1087)
- make compress work for hybrid descriptor composed of se_e2_a (1094)
- Fix gradient not averaged when parallel training. (1104)
- fix bug of single precision model compression (1110)
- fix bug of single precision transfer (1111)
- fix LAMMPS_VERSION_NUMBER condition (1116)
- Fix missing `std::numeric_limits` (1113)
- fix data_modifier OOM problem when set size is too large (1117)
- fix bugs of dipole charge modifier: binary str and missing frozen node (1124 )
- fix "Call to method DeepTensor.__init__ with too many arguments" (1125)

New features:
- parallel training (892 905 913) (Bytedance)
- automatically determine the `sel` from the training data. (831)
- build low and high precision at the same time (879)

Performance improvement:
- speedup tabulate cuda kernel by reducing shm using (830) (Bytedance)
- speedup format_nlist_b (832 845)

Enhancements:
- support to specify CUDA/ROCm root in python pkg building (834) (Bytedance)
- use cached Session to speed up py tests (833)
- add message for DecodeError raised when using model compression (839)
- remove cub include for CUDA>=11 (866)
- Add Errcheck after every kernel function runs And merge redundant code (855)
- adapt changes to auditwheel directory in manylinux (889)
- enhance the cli to generate doc json file (891)
- raise warning before training if sel is not enough (914)

Bug fixings:
- fix bug 824 and Synchronize updates to CUDA cod (828)
- Fix the empty neighbor distance array in neighbor_stat.py (882)
- fix `InvalidArgumentError` caused by zero `sel` and optimize zero matrix (900)
- fix 'NoneType' has no len() in `auto_sel` (911)

New feature:
- derivatives for deep tensor (805)

Performance improvement:
- speedup ROCm kernels which use atomicAdd (809 815 ) (from ByteDance)
- speedup CUDA kernels (use atomicAdd inside) by reducing the global memory write (811)

Enhancement:
- add type-embedding developer doc (762)
- add model compression support for models with exclude_types feature (754)
- improve the doc and user interface of model compression (772)
- allow c++ tests to run without internet (785)
- support converting models generated in v1.3 to 2.0 compatibility (725)
- give a default value to T and convert models from v1.2 to 2.0 compatibility (789)
- improved documents for conda (798)
- throw a message if tf runtime is incompatible (797)
- capture OOM and print debug message (801)

Bug fixings
- fix bug of custom op's multiple initialization (812)
- fix bug of empty input in gelu.cu (800)
- fix model compression bug of zero environment matrix (808)
- `box.npy` is not necessary for nopbc (810)
- fill rij with zero (818)
- `NOT_LOADABLE` should be `tuple` (825)

New features:
- Add subcommand and python interface to calculate model-deviation (715)

Enhancements
- Use fmod to wrap the coord of atoms. UT for force/virial ops (741)
- UT for model devi C++ interface (731)
- add CUDA/ROCM buidling documents (739)
- add op unittests for prod_force, prod_virial, prod_force_grad and prod_virial_grad (703)

Bug fixings:
- fix bug of adding int to a None random seed (705)
- reuse the zero layer rather than building a new one (714)
- fix CI (739)