v2.0.1

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)