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Added the united test for hessian in test_ase.py to improve the coverage score #157

Merged
merged 10 commits into from
Sep 1, 2023
Merged

Added the united test for hessian in test_ase.py to improve the coverage score #157

merged 10 commits into from
Sep 1, 2023

Commits on Aug 29, 2023

  1. Optimize the Atoms2Graph and fixed the np.meshgrid

    @kenko911
    kenko911 committed Aug 29, 2023
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  2. put unittests

    @kenko911
    kenko911 committed Aug 29, 2023
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  3. Merge branch 'materialsvirtuallab:main' into main

    @kenko911
    kenko911 authored Aug 29, 2023
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  4. improve the _three_body.py and test_M3GNetCalculator in test_ase.py

    @kenko911
    kenko911 committed Aug 29, 2023
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  5. Merge branch 'main' into main

    @shyuep
    shyuep authored Aug 29, 2023
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Commits on Aug 31, 2023

  1. Merge branch 'materialsvirtuallab:main' into main

    @kenko911
    kenko911 authored Aug 31, 2023
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  2. add cpu() in ase.py and compute.py to enable the GPU usage for MatGL-… 

    …LAMMPS interface
    @kenko911
    kenko911 committed Aug 31, 2023
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  3. Merge branch 'materialsvirtuallab:main' into main

    @kenko911
    kenko911 authored Aug 31, 2023
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Commits on Sep 1, 2023

  1. included the unit-test for hessian test_ase.py to improve the coverag… 

    …e score
    @kenko911
    kenko911 committed Sep 1, 2023
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  2. Merge branch 'main' of https://github.com/kenko911/matgl

    @kenko911
    kenko911 committed Sep 1, 2023
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