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Specifying multiple pre_rocket lines in my_qadaptor.yaml
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3
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327
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June 12, 2023
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Magnetic ordering workflow:
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6
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401
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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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539
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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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520
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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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501
|
March 28, 2023
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Failed to execute the example run
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10
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663
|
March 17, 2023
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Proper hostname for NERSC-hosted MongoDB (Atomate2 setup)
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0
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415
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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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576
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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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488
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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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307
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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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495
|
November 28, 2022
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Proper usage of "name" field
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4
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483
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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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396
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October 24, 2022
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Ferroelectric analyzier jor error
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4
|
422
|
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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373
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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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494
|
May 23, 2022
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Launching at directory workflow was added from
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1
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419
|
May 19, 2022
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Adding meta tag for optimize task
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1
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371
|
May 19, 2022
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[atomate2] restart for long running HSE jobs
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0
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459
|
May 18, 2022
|
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Failed to load vasprun.xml
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2
|
915
|
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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619
|
April 1, 2022
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Fireworks automatically runs Bader analysis when binary present
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1
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421
|
March 31, 2022
|
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Running example workflow using LAMMPS
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4
|
897
|
March 30, 2022
|
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Can't run mutiple queues on one node with error : mpirun noticed .... exited on signal 15
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0
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300
|
March 3, 2022
|
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Pymatgen complaining about missing deprecated POTCAR files
|
|
8
|
1374
|
February 12, 2022
|
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Differences between atomate and atomate2
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|
2
|
1211
|
February 7, 2022
|
|
Using atomate with PostgreSQL database
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|
2
|
410
|
January 27, 2022
|
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Extending the set of abstract variables that can be referenced as part of built in atomate firetasks
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0
|
339
|
December 16, 2021
|
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Exactly reproduce VASP parameters and total energy
|
|
1
|
1188
|
December 6, 2021
|
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Fireworkers continue running even when no ready FWs exist in database
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|
2
|
737
|
December 3, 2021
|