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add pairwise DPRc#2682

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wanghan-iapcm merged 57 commits intodeepmodeling:develdeepmodeling/deepmd-kit:develfrom njzjz:pairwise_dprcnjzjz/deepmd-kit:pairwise_dprcCopy head branch name to clipboardJul 20, 2023

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Commits on Jun 2, 2023

• init pairwise dprc

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• add tests for group_atoms

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• add tests and fix bugs

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• add tests to test the OP

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• fix m_qmmm_frame_idx

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Commits on Jun 5, 2023

• Merge remote-tracking branch 'origin/devel' into pairwise_dprc

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Commits on Jun 6, 2023

• fix index out of range

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• Merge remote-tracking branch 'origin/devel' into pairwise_dprc

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Commits on Jun 7, 2023

• fix model and add tests

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• skip ut if tf<1.15

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Commits on Jun 8, 2023

• fix test paths

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• fix training errors; add examples

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• build type embedding only once

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• fix self.ntypes

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Commits on Jun 19, 2023

• Merge branch 'devel' into pairwise_dprc

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Commits on Jun 21, 2023

• Merge branch 'devel' into pairwise_dprc

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Commits on Jun 23, 2023

• add examples for the normal model

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• make the example models compressible

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• fix se_atten variable names when suffix is given

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• Update se_atten.py

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• Update se_atten.py

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Commits on Jun 24, 2023

• fix output and init_variables

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• Merge remote-tracking branch 'fork/fix-se_atten-suffix' into pairwise_dprc

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Commits on Jun 25, 2023

• support compression

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• fix se_atten compression when suffix is given

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Commits on Jun 26, 2023

• Merge branch 'devel' into pairwise_dprc

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• change the mesh

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Commits on Jul 3, 2023

• add docs; improve example

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• [pre-commit.ci] auto fixes from pre-commit.com hooks

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Commits on Jul 5, 2023

• docs: update equations

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• [pre-commit.ci] auto fixes from pre-commit.com hooks

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Commits on Jul 7, 2023

• add compress information

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• add t_mesh to nodes

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• fix the dtype of rcut

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• fix a typo in reshape

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• another bug fixed

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Commits on Jul 9, 2023

• Merge remote-tracking branch 'origin/devel' into pairwise_dprc

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• support fparam/aparam in dp model-devi

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• [pre-commit.ci] auto fixes from pre-commit.com hooks

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• fix tests

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• [pre-commit.ci] auto fixes from pre-commit.com hooks

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Commits on Jul 10, 2023

• sort aparam in the C++ interface

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• fix typo

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• sort aparam in the Python API

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• Merge remote-tracking branch 'fork/model-devi-fparam-aparam' into pairwise_dprc

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Commits on Jul 11, 2023

• update the link in README

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Commits on Jul 14, 2023

• fix se_atten tabulate when exclude_types is given

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• add tests for compression

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• fix path to data

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• skip tf 1.14

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Commits on Jul 15, 2023

• fix model name

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• fix TabulateFusionSeAGradGradOp

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• [pre-commit.ci] auto fixes from pre-commit.com hooks

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• fetch attr in the OP

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• Merge branch 'devel' into pairwise_dprc

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Commits on Jul 17, 2023

• fix compress training

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• merge documentation

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