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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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499
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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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650
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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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407
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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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569
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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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480
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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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305
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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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490
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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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473
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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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392
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October 24, 2022
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Ferroelectric analyzier jor error
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4
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420
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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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372
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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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478
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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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413
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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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368
|
May 19, 2022
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[atomate2] restart for long running HSE jobs
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0
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448
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May 18, 2022
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Failed to load vasprun.xml
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2
|
890
|
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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609
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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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420
|
March 31, 2022
|
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Running example workflow using LAMMPS
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4
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887
|
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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297
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March 3, 2022
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Pymatgen complaining about missing deprecated POTCAR files
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8
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1344
|
February 12, 2022
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Differences between atomate and atomate2
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2
|
1191
|
February 7, 2022
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Using atomate with PostgreSQL database
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2
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408
|
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
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339
|
December 16, 2021
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Exactly reproduce VASP parameters and total energy
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1
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1157
|
December 6, 2021
|
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Fireworkers continue running even when no ready FWs exist in database
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2
|
732
|
December 3, 2021
|
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Split Workflow across Multiple Workers
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4
|
661
|
November 11, 2021
|
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Breadcrumbs in computations
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1
|
368
|
November 6, 2021
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Is there any way to run singleshot on a specific task?
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2
|
474
|
October 13, 2021
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Option to copy CHGCAR or WAVECAR from prev_calc_loc or prev_calc_dir in StaticFW
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2
|
487
|
September 22, 2021
|