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Add a harness for MACE-OFF23 and local MACE models #441

Merged
merged 10 commits into from
Apr 8, 2024
Merged

Add a harness for MACE-OFF23 and local MACE models #441

merged 10 commits into from
Apr 8, 2024

Commits on Jan 5, 2024

  1. add a harness of MACE

    @jthorton
    jthorton committed Jan 5, 2024
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  2. add mace github

    @jthorton
    jthorton committed Jan 5, 2024
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  3. lint

    @jthorton
    jthorton committed Jan 5, 2024
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  4. fix python version

    @jthorton
    jthorton committed Jan 5, 2024
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  5. raise correct error on poor input, add mace test

    @jthorton
    jthorton committed Jan 5, 2024
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  6. lint

    @jthorton
    jthorton committed Jan 5, 2024
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Commits on Feb 1, 2024

  1. update to use conda-forge package

    @jthorton
    jthorton committed Feb 1, 2024
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Commits on Feb 19, 2024

  1. add numerical mace test

    @jthorton
    jthorton committed Feb 19, 2024
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  2. lint

    @jthorton
    jthorton committed Feb 19, 2024
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Commits on Mar 18, 2024

  1. update cell size

    @jthorton
    jthorton committed Mar 18, 2024
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