Atomate Atomate2
| Topic | Replies | Views | Activity | |
|---|---|---|---|---|
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About the Atomate2 category
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0 | 279 | May 19, 2022 |
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BUG: atomate2 failed to compute the 3rd-order elastic tensor
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0 | 10 | June 15, 2025 |
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Additional_stores Options
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0 | 10 | June 13, 2025 |
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General question on mock VASP
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1 | 325 | November 14, 2023 |
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Atomate2 pymongo.errors.OperationFailure
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2 | 277 | October 16, 2023 |
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Compatibility of pymatgen.analysis.defects with atomate2
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0 | 290 | August 23, 2023 |
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Document size to large for MongoDB
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1 | 402 | August 9, 2023 |
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I need help using atomate2 on a remote cluster
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0 | 519 | March 31, 2023 |
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Insert material project material id into final job/flow output in Atomate2
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1 | 500 | March 28, 2023 |
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Proper hostname for NERSC-hosted MongoDB (Atomate2 setup)
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0 | 415 | February 3, 2023 |
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Possible rework for object storage in addtional stores
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0 | 493 | November 28, 2022 |
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Proper usage of "name" field
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4 | 482 | November 28, 2022 |
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Backfill database with historical vasp runs?
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2 | 395 | October 24, 2022 |
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[atomate2] parsing of f orbitals in dos
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2 | 493 | May 23, 2022 |