Misc ASE db bugfixes #965
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Misc ASE db bugfixes #965
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lbluque
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Jan 15, 2025
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| # There is a possible bug in ASE which makes this test annoying to write. | ||
| # AtomsRow.toatoms() has a calculator attached that computes a stress tensor # with the wrong shape: (9,). This makes convert_all fail due to an assertion in | ||
| # atoms.get_stress(). |
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Where does this issue come up?
Is that here?
fairchem/src/fairchem/core/preprocessing/atoms_to_graphs.py
Lines 235 to 239 in bd93b2d
Codecov ReportAttention: Patch coverage is
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misko
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Jan 17, 2025
* fixed bug in which row data was not fully copied during dataset split * fixed bug in which row data was not fully copied during dataset split Former-commit-id: 6289401e3e128c8018a7dc76cd12010d9d466310
mshuaibii
pushed a commit
that referenced
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Jan 17, 2025
* fixed bug in which row data was not fully copied during dataset split * fixed bug in which row data was not fully copied during dataset split Former-commit-id: 99f064a3d1b2e45842e136913e76e3427ed1f0ab
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This PR addresses #962 as well as a related bug in which AtomsRow data was not fully copied during dataset splitting.