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Import MP input sets directly from Pymatgen #842

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Andrew-S-Rosen opened this issue May 12, 2024 · 1 comment
Closed

Import MP input sets directly from Pymatgen #842

Andrew-S-Rosen opened this issue May 12, 2024 · 1 comment

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@Andrew-S-Rosen
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Andrew-S-Rosen commented May 12, 2024 •
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Right now, we have duplication of information between pymatgen and atomate2. With materialsproject/pymatgen#3484, there are no remaining blockers to using pymatgen sets in atomate2. At some point, atomate2 should make the switch to complete the transition. This is just to create a tracker for the issue.

Be careful of gotchas highlighted in #724...
@Andrew-S-Rosen
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Closed as now-duplicate of #724 (I updated the original issue report).

@Andrew-S-Rosen Andrew-S-Rosen closed this as not planned Won't fix, can't repro, duplicate, stale May 12, 2024
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