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About the Atomate2 category
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0
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303
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May 19, 2022
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ExchangeWF / Heisenberg exchange workflow in atomate2 — is a port planned?
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1
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57
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March 5, 2026
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Writing output files in the run directory?
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0
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33
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February 24, 2026
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Passing INCAR settings for elastic relaxation
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3
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90
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October 20, 2025
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Load a pre-trained models locally in atomate2?
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2
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127
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September 2, 2025
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How to use M3GNet instead of CHGNet in Atomate2 PhononMaker?
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5
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141
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August 31, 2025
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BUG: atomate2 failed to compute the 3rd-order elastic tensor
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0
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60
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June 15, 2025
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Additional_stores Options
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0
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47
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June 13, 2025
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General question on mock VASP
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1
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385
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November 14, 2023
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Atomate2 pymongo.errors.OperationFailure
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2
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326
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October 16, 2023
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Compatibility of pymatgen.analysis.defects with atomate2
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0
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324
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August 23, 2023
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Document size to large for MongoDB
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1
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445
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August 9, 2023
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I need help using atomate2 on a remote cluster
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0
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548
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March 31, 2023
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Insert material project material id into final job/flow output in Atomate2
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1
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529
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March 28, 2023
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Proper hostname for NERSC-hosted MongoDB (Atomate2 setup)
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0
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443
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February 3, 2023
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Possible rework for object storage in addtional stores
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0
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520
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November 28, 2022
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Proper usage of "name" field
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4
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539
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November 28, 2022
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Backfill database with historical vasp runs?
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2
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434
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October 24, 2022
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[atomate2] parsing of f orbitals in dos
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2
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533
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May 23, 2022
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