Atomate Atomate2
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About the Atomate2 category
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0 | 278 | May 19, 2022 |
BUG: atomate2 failed to compute the 3rd-order elastic tensor
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0 | 8 | June 15, 2025 |
Additional_stores Options
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0 | 5 | June 13, 2025 |
General question on mock VASP
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1 | 323 | November 14, 2023 |
Atomate2 pymongo.errors.OperationFailure
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2 | 275 | October 16, 2023 |
Compatibility of pymatgen.analysis.defects with atomate2
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0 | 290 | August 23, 2023 |
Document size to large for MongoDB
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1 | 402 | August 9, 2023 |
I need help using atomate2 on a remote cluster
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0 | 518 | March 31, 2023 |
Insert material project material id into final job/flow output in Atomate2
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1 | 500 | March 28, 2023 |
Proper hostname for NERSC-hosted MongoDB (Atomate2 setup)
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0 | 415 | February 3, 2023 |
Possible rework for object storage in addtional stores
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0 | 493 | November 28, 2022 |
Proper usage of "name" field
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4 | 479 | November 28, 2022 |
Backfill database with historical vasp runs?
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2 | 395 | October 24, 2022 |
[atomate2] parsing of f orbitals in dos
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2 | 493 | May 23, 2022 |