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About the Atomate category
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1
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729
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November 11, 2019
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Si bandstructure issues
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4
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1201
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March 27, 2024
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Can we make workflow and data retrive procedure job run seperately
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2
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87
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March 15, 2024
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AttributeError: 'Poscar' object has no attribute 'get_string'
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2
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108
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February 22, 2024
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Not able to parse a calculation because vasprun.xml is not well formed
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4
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72
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February 20, 2024
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Vasp jobs error when using atomate2 and fireworks
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1
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99
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February 5, 2024
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Modify Kpoints in all FW of workflow
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1
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75
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February 2, 2024
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Tribchem: "Fixing" some issues in atomate
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0
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66
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January 31, 2024
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Error: ATOMATE2 to MongoDB connection
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7
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524
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January 9, 2024
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Atomate installation - Run a test workflow error
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3
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296
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November 15, 2023
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General question on mock VASP
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1
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218
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November 14, 2023
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MongoDB/launchpad accessible on login nodes but not compute nodes of HPC
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3
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173
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October 27, 2023
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Atomate2 pymongo.errors.OperationFailure
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2
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195
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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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214
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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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294
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August 9, 2023
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VasprunXMLValidator error in the middle of a workflow
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9
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480
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July 28, 2023
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MaxForceErrorHandler: Custodian version control issue
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3
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284
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July 27, 2023
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Specifying multiple pre_rocket lines in my_qadaptor.yaml
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3
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224
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June 12, 2023
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Magnetic ordering workflow:
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6
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252
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June 8, 2023
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Trying to run Atomate Workflows: Failure in queue_launcher.py in launch_rocket_to_queue
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9
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366
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May 26, 2023
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I need help using atomate2 on a remote cluster
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0
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372
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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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411
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March 28, 2023
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Failed to execute the example run
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10
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556
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March 17, 2023
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Proper hostname for NERSC-hosted MongoDB (Atomate2 setup)
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0
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342
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February 3, 2023
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[Atomate2] How to decode a TaskDocument from queried dictionaries?
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3
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450
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January 28, 2023
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Strange qlaunch behavior: one workflow but multiple queue jobs
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2
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433
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January 14, 2023
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How to run individual atomate analysis test starting from provided json
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0
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264
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December 21, 2022
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Possible rework for object storage in addtional stores
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0
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421
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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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420
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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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335
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October 24, 2022
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