Skip to content
New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

Sign up for GitHub

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

Jump to bottom

feat pt : Support property fitting #3867

Merged
merged 86 commits into from
Sep 5, 2024
Merged

feat pt : Support property fitting #3867

merged 86 commits into from
Sep 5, 2024

Commits on Jun 12, 2024

  1. 3866

    @Chengqian-Zhang
    Chengqian-Zhang committed Jun 12, 2024
    Configuration menu
    Copy the full SHA
    1e610cf View commit details
    Browse the repository at this point in the history

Commits on Jun 13, 2024

  1. Support intensive property fitting

    @Chengqian-Zhang
    Chengqian-Zhang committed Jun 13, 2024
    Configuration menu
    Copy the full SHA
    e30dfa0 View commit details
    Browse the repository at this point in the history

  2. Solve conflict

    @Chengqian-Zhang
    Chengqian-Zhang committed Jun 13, 2024
    Configuration menu
    Copy the full SHA
    50c8940 View commit details
    Browse the repository at this point in the history

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

    for more information, see https://pre-commit.ci
    @pre-commit-ci
    pre-commit-ci[bot] committed Jun 13, 2024
    Configuration menu
    Copy the full SHA
    b9a3f9a View commit details
    Browse the repository at this point in the history

  4. Fix UT

    @Chengqian-Zhang
    Chengqian-Zhang committed Jun 13, 2024
    Configuration menu
    Copy the full SHA
    39d3d9c View commit details
    Browse the repository at this point in the history

  5. Merge branch '3866' of github.com:Chengqian-Zhang/deepmd-kit into 3866

    @Chengqian-Zhang
    Chengqian-Zhang committed Jun 13, 2024
    Configuration menu
    Copy the full SHA
    6c24fb5 View commit details
    Browse the repository at this point in the history

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

    for more information, see https://pre-commit.ci
    @pre-commit-ci
    pre-commit-ci[bot] committed Jun 13, 2024
    Configuration menu
    Copy the full SHA
    b2ffadf View commit details
    Browse the repository at this point in the history

  7. delete try except

    @Chengqian-Zhang
    Chengqian-Zhang committed Jun 13, 2024
    Configuration menu
    Copy the full SHA
    7ece19e View commit details
    Browse the repository at this point in the history

  8. Solve conflict

    @Chengqian-Zhang
    Chengqian-Zhang committed Jun 13, 2024
    Configuration menu
    Copy the full SHA
    5c44bba View commit details
    Browse the repository at this point in the history

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

    for more information, see https://pre-commit.ci
    @pre-commit-ci
    pre-commit-ci[bot] committed Jun 13, 2024
    Configuration menu
    Copy the full SHA
    4295dd5 View commit details
    Browse the repository at this point in the history

Commits on Jun 14, 2024

  1. Merge branch 'devel' into 3866

    @Chengqian-Zhang
    Chengqian-Zhang authored Jun 14, 2024
    Configuration menu
    Copy the full SHA
    0739bf1 View commit details
    Browse the repository at this point in the history

  2. Add argcheck

    @Chengqian-Zhang
    Chengqian-Zhang committed Jun 14, 2024
    Configuration menu
    Copy the full SHA
    8ea3269 View commit details
    Browse the repository at this point in the history

  3. Delete input.json

    @Chengqian-Zhang
    Chengqian-Zhang committed Jun 14, 2024
    Configuration menu
    Copy the full SHA
    512f438 View commit details
    Browse the repository at this point in the history

  4. Merge branch 'devel' into 3866

    @Chengqian-Zhang
    Chengqian-Zhang authored Jun 14, 2024
    Configuration menu
    Copy the full SHA
    a5e29e6 View commit details
    Browse the repository at this point in the history

  5. fix UT

    @Chengqian-Zhang
    Chengqian-Zhang committed Jun 14, 2024
    Configuration menu
    Copy the full SHA
    9228959 View commit details
    Browse the repository at this point in the history

  6. fix UT

    @Chengqian-Zhang
    Chengqian-Zhang committed Jun 14, 2024
    Configuration menu
    Copy the full SHA
    c8974cb View commit details
    Browse the repository at this point in the history

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

    for more information, see https://pre-commit.ci
    @pre-commit-ci
    pre-commit-ci[bot] committed Jun 14, 2024
    Configuration menu
    Copy the full SHA
    2540d29 View commit details
    Browse the repository at this point in the history

  8. Add example

    @Chengqian-Zhang
    Chengqian-Zhang committed Jun 14, 2024
    Configuration menu
    Copy the full SHA
    792e0c7 View commit details
    Browse the repository at this point in the history

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

    for more information, see https://pre-commit.ci
    @pre-commit-ci
    pre-commit-ci[bot] committed Jun 14, 2024
    Configuration menu
    Copy the full SHA
    8d121bf View commit details
    Browse the repository at this point in the history

  10. Add dp model and consistent UT

    @Chengqian-Zhang
    Chengqian-Zhang committed Jun 14, 2024
    Configuration menu
    Copy the full SHA
    ce4e80f View commit details
    Browse the repository at this point in the history

  11. Merge branch '3866' of github.com:Chengqian-Zhang/deepmd-kit into 3866

    @Chengqian-Zhang
    Chengqian-Zhang committed Jun 14, 2024
    Configuration menu
    Copy the full SHA
    6034cac View commit details
    Browse the repository at this point in the history

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

    for more information, see https://pre-commit.ci
    @pre-commit-ci
    pre-commit-ci[bot] committed Jun 14, 2024
    Configuration menu
    Copy the full SHA
    7f66234 View commit details
    Browse the repository at this point in the history

Commits on Jun 17, 2024

  1. Add property deep_eval

    @Chengqian-Zhang
    Chengqian-Zhang committed Jun 17, 2024
    Configuration menu
    Copy the full SHA
    1679bfa View commit details
    Browse the repository at this point in the history

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

    for more information, see https://pre-commit.ci
    @pre-commit-ci
    pre-commit-ci[bot] committed Jun 17, 2024
    Configuration menu
    Copy the full SHA
    e2e0454 View commit details
    Browse the repository at this point in the history

  3. fix fitting-->Fitting

    @Chengqian-Zhang
    Chengqian-Zhang committed Jun 17, 2024
    Configuration menu
    Copy the full SHA
    beae3ca View commit details
    Browse the repository at this point in the history

  4. add beta doc in loss

    @Chengqian-Zhang
    Chengqian-Zhang committed Jun 17, 2024
    Configuration menu
    Copy the full SHA
    1481417 View commit details
    Browse the repository at this point in the history

  5. solve pre-commit

    @Chengqian-Zhang
    Chengqian-Zhang committed Jun 17, 2024
    Configuration menu
    Copy the full SHA
    be6d431 View commit details
    Browse the repository at this point in the history

  6. Solve conversation

    @Chengqian-Zhang
    Chengqian-Zhang committed Jun 17, 2024
    Configuration menu
    Copy the full SHA
    5bc6d73 View commit details
    Browse the repository at this point in the history

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

    for more information, see https://pre-commit.ci
    @pre-commit-ci
    pre-commit-ci[bot] committed Jun 17, 2024
    Configuration menu
    Copy the full SHA
    3e33f6f View commit details
    Browse the repository at this point in the history

  8. Merge branch 'devel' into 3866

    @Chengqian-Zhang
    Chengqian-Zhang authored Jun 17, 2024
    Configuration menu
    Copy the full SHA
    6e68bf8 View commit details
    Browse the repository at this point in the history

Commits on Jun 18, 2024

  1. Merge branch 'devel' into 3866

    @Chengqian-Zhang
    Chengqian-Zhang authored Jun 18, 2024
    Configuration menu
    Copy the full SHA
    f239cce View commit details
    Browse the repository at this point in the history

Commits on Jun 25, 2024

  1. Merge branch 'devel' into 3866

    @Chengqian-Zhang
    Chengqian-Zhang authored Jun 25, 2024
    Configuration menu
    Copy the full SHA
    cff1ce0 View commit details
    Browse the repository at this point in the history

Commits on Jun 26, 2024

  1. Merge branch 'devel' into 3866

    @Chengqian-Zhang
    Chengqian-Zhang authored Jun 26, 2024
    Configuration menu
    Copy the full SHA
    761a7dc View commit details
    Browse the repository at this point in the history

  2. change reduciable to reducible

    @Chengqian-Zhang
    Chengqian-Zhang committed Jun 26, 2024
    Configuration menu
    Copy the full SHA
    c7c852b View commit details
    Browse the repository at this point in the history

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

    for more information, see https://pre-commit.ci
    @pre-commit-ci
    pre-commit-ci[bot] committed Jun 26, 2024
    Configuration menu
    Copy the full SHA
    8850742 View commit details
    Browse the repository at this point in the history

Commits on Jun 27, 2024

  1. Merge branch 'devel' into 3866

    @Chengqian-Zhang
    Chengqian-Zhang authored Jun 27, 2024
    Configuration menu
    Copy the full SHA
    ec25e31 View commit details
    Browse the repository at this point in the history

Commits on Jun 28, 2024

  1. Add dp test

    @Chengqian-Zhang
    Chengqian-Zhang committed Jun 28, 2024
    Configuration menu
    Copy the full SHA
    07e35a8 View commit details
    Browse the repository at this point in the history

  2. Merge branch '3866' of github.com:Chengqian-Zhang/deepmd-kit into 3866

    @Chengqian-Zhang
    Chengqian-Zhang committed Jun 28, 2024
    Configuration menu
    Copy the full SHA
    a1ab5ad View commit details
    Browse the repository at this point in the history

  3. Merge branch 'devel' into 3866

    @Chengqian-Zhang
    Chengqian-Zhang authored Jun 28, 2024
    Configuration menu
    Copy the full SHA
    8745744 View commit details
    Browse the repository at this point in the history

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

    for more information, see https://pre-commit.ci
    @pre-commit-ci
    pre-commit-ci[bot] committed Jun 28, 2024
    Configuration menu
    Copy the full SHA
    5d74917 View commit details
    Browse the repository at this point in the history

  5. add get_intensive in atomic_model layer

    @Chengqian-Zhang
    Chengqian-Zhang committed Jun 28, 2024
    Configuration menu
    Copy the full SHA
    4fb62e9 View commit details
    Browse the repository at this point in the history

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

    for more information, see https://pre-commit.ci
    @pre-commit-ci
    pre-commit-ci[bot] committed Jun 28, 2024
    Configuration menu
    Copy the full SHA
    6670877 View commit details
    Browse the repository at this point in the history

  7. solv conversions

    @Chengqian-Zhang
    Chengqian-Zhang committed Jun 28, 2024
    Configuration menu
    Copy the full SHA
    286fa65 View commit details
    Browse the repository at this point in the history

  8. delete useless file

    @Chengqian-Zhang
    Chengqian-Zhang committed Jun 28, 2024
    Configuration menu
    Copy the full SHA
    8430080 View commit details
    Browse the repository at this point in the history

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

    for more information, see https://pre-commit.ci
    @pre-commit-ci
    pre-commit-ci[bot] committed Jun 28, 2024
    Configuration menu
    Copy the full SHA
    e367275 View commit details
    Browse the repository at this point in the history

  10. fix UT

    @Chengqian-Zhang
    Chengqian-Zhang committed Jun 28, 2024
    Configuration menu
    Copy the full SHA
    8094192 View commit details
    Browse the repository at this point in the history

  11. delete useless file

    @Chengqian-Zhang
    Chengqian-Zhang committed Jun 28, 2024
    Configuration menu
    Copy the full SHA
    fcaa14c View commit details
    Browse the repository at this point in the history

  12. Merge branch '3866' of github.com:Chengqian-Zhang/deepmd-kit into 3866

    @Chengqian-Zhang
    Chengqian-Zhang committed Jun 28, 2024
    Configuration menu
    Copy the full SHA
    43dc706 View commit details
    Browse the repository at this point in the history

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

    for more information, see https://pre-commit.ci
    @pre-commit-ci
    pre-commit-ci[bot] committed Jun 28, 2024
    Configuration menu
    Copy the full SHA
    7915373 View commit details
    Browse the repository at this point in the history

  14. Add property atomic_model and model in numpy

    @Chengqian-Zhang
    Chengqian-Zhang committed Jun 28, 2024
    Configuration menu
    Copy the full SHA
    8701d10 View commit details
    Browse the repository at this point in the history

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

    for more information, see https://pre-commit.ci
    @pre-commit-ci
    pre-commit-ci[bot] committed Jun 28, 2024
    Configuration menu
    Copy the full SHA
    692ac97 View commit details
    Browse the repository at this point in the history

Commits on Aug 8, 2024

  1. merge devel

    @Chengqian-Zhang
    Chengqian-Zhang committed Aug 8, 2024
    Configuration menu
    Copy the full SHA
    73ba974 View commit details
    Browse the repository at this point in the history

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

    for more information, see https://pre-commit.ci
    @pre-commit-ci
    pre-commit-ci[bot] committed Aug 8, 2024
    Configuration menu
    Copy the full SHA
    504a4f2 View commit details
    Browse the repository at this point in the history

  3. delete example

    @Chengqian-Zhang
    Chengqian-Zhang committed Aug 8, 2024
    Configuration menu
    Copy the full SHA
    f681f60 View commit details
    Browse the repository at this point in the history

Commits on Aug 27, 2024

  1. Merge branch 'devel' into 3866 

    Signed-off-by: Chenqqian Zhang <[email protected]>
    @Chengqian-Zhang
    Chengqian-Zhang authored Aug 27, 2024
    Configuration menu
    Copy the full SHA
    467dfb3 View commit details
    Browse the repository at this point in the history

  2. change intensive operation to transform_output

    @Chengqian-Zhang
    Chengqian-Zhang committed Aug 27, 2024
    Configuration menu
    Copy the full SHA
    65ec9d7 View commit details
    Browse the repository at this point in the history

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

    for more information, see https://pre-commit.ci
    @pre-commit-ci
    pre-commit-ci[bot] committed Aug 27, 2024
    Configuration menu
    Copy the full SHA
    0dafdb7 View commit details
    Browse the repository at this point in the history

  4. modify bias computing part

    @Chengqian-Zhang
    Chengqian-Zhang committed Aug 27, 2024
    Configuration menu
    Copy the full SHA
    4a827a4 View commit details
    Browse the repository at this point in the history

  5. Merge branch '3866' of github.com:Chengqian-Zhang/deepmd-kit into 3866

    @Chengqian-Zhang
    Chengqian-Zhang committed Aug 27, 2024
    Configuration menu
    Copy the full SHA
    ac679a9 View commit details
    Browse the repository at this point in the history

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

    for more information, see https://pre-commit.ci
    @pre-commit-ci
    pre-commit-ci[bot] committed Aug 27, 2024
    Configuration menu
    Copy the full SHA
    2502b89 View commit details
    Browse the repository at this point in the history

  7. Delete useless get_intensive() method

    @Chengqian-Zhang
    Chengqian-Zhang committed Aug 27, 2024
    Configuration menu
    Copy the full SHA
    8a2e228 View commit details
    Browse the repository at this point in the history

  8. Add bias_method parameter in fitting_net

    @Chengqian-Zhang
    Chengqian-Zhang committed Aug 27, 2024
    Configuration menu
    Copy the full SHA
    72dd1d7 View commit details
    Browse the repository at this point in the history

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

    for more information, see https://pre-commit.ci
    @pre-commit-ci
    pre-commit-ci[bot] committed Aug 27, 2024
    Configuration menu
    Copy the full SHA
    d423b28 View commit details
    Browse the repository at this point in the history

  10. add reducible and intensive dependency

    @Chengqian-Zhang
    Chengqian-Zhang committed Aug 27, 2024
    Configuration menu
    Copy the full SHA
    e1d3558 View commit details
    Browse the repository at this point in the history

  11. fix UT

    @Chengqian-Zhang
    Chengqian-Zhang committed Aug 27, 2024
    Configuration menu
    Copy the full SHA
    a865f23 View commit details
    Browse the repository at this point in the history

  12. solve serialize UT error

    @Chengqian-Zhang
    Chengqian-Zhang committed Aug 27, 2024
    Configuration menu
    Copy the full SHA
    3fd5697 View commit details
    Browse the repository at this point in the history

  13. rerun UT

    @Chengqian-Zhang
    Chengqian-Zhang committed Aug 27, 2024
    Configuration menu
    Copy the full SHA
    3d3700d View commit details
    Browse the repository at this point in the history

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

    for more information, see https://pre-commit.ci
    @pre-commit-ci
    pre-commit-ci[bot] committed Aug 27, 2024
    Configuration menu
    Copy the full SHA
    d580348 View commit details
    Browse the repository at this point in the history

Commits on Aug 28, 2024

  1. Merge branch 'devel' into 3866

    @Chengqian-Zhang
    Chengqian-Zhang authored Aug 28, 2024
    Configuration menu
    Copy the full SHA
    4a3f84c View commit details
    Browse the repository at this point in the history

  2. Add universal test

    @Chengqian-Zhang
    Chengqian-Zhang committed Aug 28, 2024
    Configuration menu
    Copy the full SHA
    11051ca View commit details
    Browse the repository at this point in the history

  3. Merge branch '3866' of github.com:Chengqian-Zhang/deepmd-kit into 3866

    @Chengqian-Zhang
    Chengqian-Zhang committed Aug 28, 2024
    Configuration menu
    Copy the full SHA
    ae4b4a9 View commit details
    Browse the repository at this point in the history

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

    for more information, see https://pre-commit.ci
    @pre-commit-ci
    pre-commit-ci[bot] committed Aug 28, 2024
    Configuration menu
    Copy the full SHA
    633bf8e View commit details
    Browse the repository at this point in the history

  5. rerun UT

    @Chengqian-Zhang
    Chengqian-Zhang committed Aug 28, 2024
    Configuration menu
    Copy the full SHA
    74b3533 View commit details
    Browse the repository at this point in the history

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

    for more information, see https://pre-commit.ci
    @pre-commit-ci
    pre-commit-ci[bot] committed Aug 28, 2024
    Configuration menu
    Copy the full SHA
    b3031d0 View commit details
    Browse the repository at this point in the history

  7. Add doc and output_def UT

    @Chengqian-Zhang
    Chengqian-Zhang committed Aug 28, 2024
    Configuration menu
    Copy the full SHA
    d5e03e9 View commit details
    Browse the repository at this point in the history

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

    for more information, see https://pre-commit.ci
    @pre-commit-ci
    pre-commit-ci[bot] committed Aug 28, 2024
    Configuration menu
    Copy the full SHA
    6870ecd View commit details
    Browse the repository at this point in the history

Commits on Sep 1, 2024

  1. change type_map of example

    @Chengqian-Zhang
    Chengqian-Zhang committed Sep 1, 2024
    Configuration menu
    Copy the full SHA
    5b237ac View commit details
    Browse the repository at this point in the history

  2. delete prop option

    @Chengqian-Zhang
    Chengqian-Zhang committed Sep 1, 2024
    Configuration menu
    Copy the full SHA
    9830fd8 View commit details
    Browse the repository at this point in the history

  3. change doc_metric

    @Chengqian-Zhang
    Chengqian-Zhang committed Sep 1, 2024
    Configuration menu
    Copy the full SHA
    d0f8949 View commit details
    Browse the repository at this point in the history

  4. change property example to dpa1

    @Chengqian-Zhang
    Chengqian-Zhang committed Sep 1, 2024
    Configuration menu
    Copy the full SHA
    abd507e View commit details
    Browse the repository at this point in the history

  5. Add se_a UT in universal/dpmodel/atomic_model/

    @Chengqian-Zhang
    Chengqian-Zhang committed Sep 1, 2024
    Configuration menu
    Copy the full SHA
    a8ef765 View commit details
    Browse the repository at this point in the history

Commits on Sep 3, 2024

  1. Add dptest property UT

    @Chengqian-Zhang
    Chengqian-Zhang committed Sep 3, 2024
    Configuration menu
    Copy the full SHA
    b105e34 View commit details
    Browse the repository at this point in the history

  2. Merge branch 'devel' into 3866

    @Chengqian-Zhang
    Chengqian-Zhang authored Sep 3, 2024
    Configuration menu
    Copy the full SHA
    d22f6b4 View commit details
    Browse the repository at this point in the history

  3. Merge branch '3866' of github.com:Chengqian-Zhang/deepmd-kit into 3866

    @Chengqian-Zhang
    Chengqian-Zhang committed Sep 3, 2024
    Configuration menu
    Copy the full SHA
    a5da5a7 View commit details
    Browse the repository at this point in the history

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

    for more information, see https://pre-commit.ci
    @pre-commit-ci
    pre-commit-ci[bot] committed Sep 3, 2024
    Configuration menu
    Copy the full SHA
    dde48fd View commit details
    Browse the repository at this point in the history

Commits on Sep 4, 2024

  1. Merge branch 'devel' into 3866

    @Chengqian-Zhang
    Chengqian-Zhang authored Sep 4, 2024
    Configuration menu
    Copy the full SHA
    4d8934f View commit details
    Browse the repository at this point in the history