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About the Atomate category
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1
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592
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November 11, 2019
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Error: ATOMATE2 to MongoDB connection
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2
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162
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September 1, 2023
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Compatibility of pymatgen.analysis.defects with atomate2
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0
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47
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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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85
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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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156
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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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119
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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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75
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June 12, 2023
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Magnetic ordering workflow:
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6
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92
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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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163
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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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183
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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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226
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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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370
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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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205
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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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298
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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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255
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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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122
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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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244
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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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274
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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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199
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October 24, 2022
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Si bandstructure issues
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3
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637
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July 26, 2022
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Ferroelectric analyzier jor error
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4
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252
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June 15, 2022
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How to get the data of vacuum level(many materials) by the atomate tools after calcution?
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0
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180
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June 15, 2022
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[atomate2] parsing of f orbitals in dos
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2
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307
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May 23, 2022
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Launching at directory workflow was added from
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1
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203
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May 19, 2022
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Adding meta tag for optimize task
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1
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180
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May 19, 2022
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[atomate2] restart for long running HSE jobs
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0
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238
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May 18, 2022
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Failed to load vasprun.xml
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2
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507
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May 16, 2022
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DFT relaxation of crystal structures (esp. to retrieve relaxed formation energy) achievable with atomate or atomate2 workflows?
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1
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412
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April 1, 2022
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Fireworks automatically runs Bader analysis when binary present
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1
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258
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March 31, 2022
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Running example workflow using LAMMPS
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4
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581
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March 30, 2022
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