[WIP] Update IEEE conversion routine for tetragonal systems#2616
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JosephMontoya-TRI wants to merge 1 commit intomaterialsproject:masterfrom
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[WIP] Update IEEE conversion routine for tetragonal systems#2616JosephMontoya-TRI wants to merge 1 commit intomaterialsproject:masterfrom
JosephMontoya-TRI wants to merge 1 commit intomaterialsproject:masterfrom
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Hi @montoyjh, Can you expand on this point:
I don't mind adding an additional test here if necessary, but not sure what else required. |
Member
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Bumping this because it seems like a serious bug. If there's no additional context for the precision issue, I'd like to go ahead and merge with a minimal test added for the problem system. |
Member
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The tests need to be supplied first. |
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Seems like there might be more issues with the tensor rotations, as per my #3059 |
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Thanks. We have refactored pymatgen to move core packages to a separate pymatgen-core repo. If you don't mind, please submit a new PR in that repo. This will also ensure you are properly credited for the contribution. Sorry about the inconvenience. |
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Summary
Tentative fix for rotating tensorial properties for tetragonal systems.
TODO (if any)