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pd: support dpa2#4418

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njzjz merged 81 commits intodeepmodeling:develdeepmodeling/deepmd-kit:develfrom HydrogenSulfate:add_dpa2_v2HydrogenSulfate/deepmd-kit:add_dpa2_v2Copy head branch name to clipboardDec 25, 2024

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Commits on Nov 2, 2024

• add core modules of paddle backend and water/se_e2_a example

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• add paddle code in consistent test

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• clean env and training

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• add more test files

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• Merge branch 'devel' into add_paddle_backend_core_and_water_se_e2_a

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• fix pt->pd

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• update test_python.yml

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Commits on Nov 3, 2024

• restore .pre-commit-config.yaml

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• remove redundant file

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• Skip bfloat16 for some cases

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• enable prim by default in unitest

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Commits on Nov 5, 2024

• fix env code

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• Merge branch 'devel' into add_paddle_backend_core_and_water_se_e2_a

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Commits on Nov 6, 2024

• Merge branch 'devel' into add_paddle_backend_core_and_water_se_e2_a

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• update test_ener.py

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• add missing pd_class

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• use paddle Tensor instead of numpy array in pd/test_auto_batch_size.py to coverage newly added code

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Commits on Nov 7, 2024

• add training test and remove ase_calc.py

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• add training test and remove ase_calc.py

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• Merge branch 'devel' into add_paddle_backend_core_and_water_se_e2_a

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• upload missing json

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• restore pt/test_auto_batch_size.py

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• rerun CI for network problem

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• add multitask unitest

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• add more unitest

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• Merge branch 'devel' into add_paddle_backend_core_and_water_se_e2_a

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• remove redundant file and fix typo

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Commits on Nov 8, 2024

• update unitest

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• delete record

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• Merge branch 'devel' into add_paddle_backend_core_and_water_se_e2_a

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• Merge branch 'devel' into add_paddle_backend_core_and_water_se_e2_a

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• Merge branch 'add_paddle_backend_core_and_water_se_e2_a' of https://github.com/HydrogenSulfate/deepmd-kit into add_paddle_backend_core_and_water_se_e2_a

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• remove redundant annotations

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• Merge branch 'devel' into add_paddle_backend_core_and_water_se_e2_a

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• add nvtx profiler code in training, which is more accurate and detailed

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• Merge branch 'devel' into add_paddle_backend_core_and_water_se_e2_a

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Commits on Nov 9, 2024

• update code as devel and fix typo

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• fix pth -> json

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• Merge branch 'devel' into add_paddle_backend_core_and_water_se_e2_a

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• update unitest and training

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• install paddle when test_cuda

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• Merge branch 'devel' into add_paddle_backend_core_and_water_se_e2_a

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• fix unitest

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• add eta in logging message for convenient

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• remove hybrid code and enable one unitest

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• Merge branch 'devel' into add_paddle_backend_core_and_water_se_e2_a

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Commits on Nov 11, 2024

• add pd/__init__.py

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• Merge branch 'devel' into add_paddle_backend_core_and_water_se_e2_a

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• fix enable_prim

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• remove unused layernorm

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Commits on Nov 25, 2024

• update dpa1 code

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• Merge branch 'devel' into add_dpa1

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• update dpa2 code

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Commits on Nov 28, 2024

• update code of dpa1

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• Merge branch 'devel' into add_dpa1

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• restore decomp to paddle function

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Commits on Nov 29, 2024

• update unitest and codes

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• Merge branch 'devel' into add_dpa1

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• fix coverage

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Commits on Nov 30, 2024

• update consistent check of dpa1

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Commits on Dec 1, 2024

• Merge branch 'add_dpa1' into add_dpa2_v2

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• add unittests code of dpa2 and replace several decomp. API to paddle. API

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• fix typos

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Commits on Dec 2, 2024

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• update UT code in test_se_t_tebd

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• Merge branch 'add_dpa2_v22' into add_dpa2_v2

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• update __init__

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Commits on Dec 3, 2024

• solve code QL

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Commits on Dec 18, 2024

• Merge branch 'devel' into add_dpa2_v2

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Commits on Dec 19, 2024

• fix unitest and typo

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Commits on Dec 23, 2024

• Merge branch 'devel' into add_dpa2_v2

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• update reference in dpa2.py

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