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2.4x avg speedup on PMG struct to CHGNET graph conversion #40

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merged 18 commits into from
Jun 28, 2023

tweak test_predict_structure_supercell() using np.allclose

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Merged

2.4x avg speedup on PMG struct to CHGNET graph conversion #40

tweak test_predict_structure_supercell() using np.allclose
ade7e4d
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