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Feat: Add DeepMD MLFF support #999

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Feat: Add DeepMD MLFF support #999

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+123 −3

Commits on Sep 29, 2024

  1. interfaced with deepmd

    @MoseyQAQ
    MoseyQAQ committed Sep 29, 2024
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  2. update testcase

    @MoseyQAQ
    MoseyQAQ committed Sep 29, 2024
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  3. Merge branch 'main' into deep_potential

    @MoseyQAQ
    MoseyQAQ authored Sep 29, 2024
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Commits on Sep 30, 2024

  1. update deepmd-kit dep

    @MoseyQAQ
    MoseyQAQ committed Sep 30, 2024
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Commits on Oct 3, 2024

  1. Merge branch 'main' into deep_potential

    @JaGeo
    JaGeo authored Oct 3, 2024
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  2. Merge branch 'materialsproject:main' into deep_potential

    @MoseyQAQ
    MoseyQAQ authored Oct 3, 2024
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Commits on Oct 4, 2024

  1. remove concrete implementations, improve unittests

    @MoseyQAQ
    MoseyQAQ committed Oct 4, 2024
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  2. update unittests

    @MoseyQAQ
    MoseyQAQ committed Oct 4, 2024
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  3. fix MD test

    @MoseyQAQ
    MoseyQAQ committed Oct 4, 2024
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Commits on Oct 5, 2024

  1. download from github, fix typo

    @MoseyQAQ
    MoseyQAQ committed Oct 5, 2024
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  2. use urllib.request

    @MoseyQAQ
    MoseyQAQ committed Oct 5, 2024
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  3. change MACE default download url

    @MoseyQAQ
    MoseyQAQ committed Oct 5, 2024
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  4. update MACE forcefield utils

    @MoseyQAQ
    MoseyQAQ committed Oct 5, 2024
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  5. import issue fix

    @MoseyQAQ
    MoseyQAQ committed Oct 5, 2024
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Commits on Oct 7, 2024

  1. Merge branch 'main' into deep_potential

    @MoseyQAQ
    MoseyQAQ authored Oct 7, 2024
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  2. update MACE test

    @MoseyQAQ
    MoseyQAQ committed Oct 7, 2024
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Commits on Nov 14, 2024

  1. Merge branch 'main' into deep_potential

    @janosh
    janosh authored Nov 14, 2024
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