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40 Open 85 Closed
40 Open 85 Closed
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Issues list

numpy.bool_ error
#792 opened Sep 21, 2024 by jinlhr542
Can't run mutiple queues on one node with error : mpirun noticed .... exited on signal 15 (Terminated)
#748 opened Feb 20, 2022 by aijcode
Possible issue passing POTCAR to child firework bug
#661 opened May 15, 2021 by rwoodsrobinson
Add setup hint for Atlas users: ssl: true + authsource: admin needed in my_launchpad.yaml improvement reported issues that considered further improvement to atomate
#635 opened Apr 14, 2021 by janosh
1
VASP Drone and onsite_density_matrix causing large document sizes bug improvement reported issues that considered further improvement to atomate
#577 opened Jan 27, 2021 by mkhorton
2
FEFF Drone and task doc validation improvement reported issues that considered further improvement to atomate
#366 opened Jan 22, 2020 by shyamd
Remove DriftErrorHandler to default handlers until fixed, add warning to drone bug improvement reported issues that considered further improvement to atomate
#316 opened Oct 18, 2019 by mkhorton
Default POTCAR settings for Lanthanides not compatible with Hybrid DFT bug
#309 opened Oct 3, 2019 by utf
5
Improve RunVaspCustodian to store standard error output improvement reported issues that considered further improvement to atomate
#297 opened Jun 18, 2019 by mkhorton
3
Polarization task doesn't write ionic polarization to database improvement reported issues that considered further improvement to atomate
#296 opened Jun 12, 2019 by sthartman
Atomate v2: issues that require issues improvement reported issues that considered further improvement to atomate
#292 opened May 30, 2019 by computron
3 tasks
2
Atomate v2: organization of pre-built workflows improvement reported issues that considered further improvement to atomate
#291 opened May 30, 2019 by computron
22
Atomate v2: consistent signature for Firework constructor arguments improvement reported issues that considered further improvement to atomate
#290 opened May 30, 2019 by computron
6
Atomate v2: high-level unit testing strategy improvement reported issues that considered further improvement to atomate
#289 opened May 30, 2019 by computron
17
Slabs in adsorption wfs are slightly different from slabs in test_files improvement reported issues that considered further improvement to atomate
#282 opened Apr 13, 2019 by JosephMontoya-TRI
1
Structure Optimization may not be converged with respect to kpts
#280 opened Mar 30, 2019 by shyamd
1
get_wf should help users if they don't know what presets are available improvement reported issues that considered further improvement to atomate
#279 opened Mar 26, 2019 by mkhorton
2
kpoints file not overridden for nscf calculation bug improvement reported issues that considered further improvement to atomate
#278 opened Mar 26, 2019 by dyllamt
10
Better presets for DOS calculations improvement reported issues that considered further improvement to atomate
#277 opened Mar 25, 2019 by dyllamt
20
Atomate Drone Schema and Migrations improvement reported issues that considered further improvement to atomate
#273 opened Mar 12, 2019 by mkhorton
Gibbs Workflow -- possible LEPSILON oversight? improvement reported issues that considered further improvement to atomate
#272 opened Mar 7, 2019 by mattmcdermott
@utf
1
Gibbs Workflow -- Phonopy QHA refactor error bug improvement reported issues that considered further improvement to atomate
#271 opened Mar 7, 2019 by mattmcdermott
10
Duplicate defaults in atomate bug
#268 opened Jan 30, 2019 by shyamd
26
add a simple builder for elasticity data improvement reported issues that considered further improvement to atomate
#261 opened Nov 12, 2018 by computron
Powerups do not propagate in dynamic workflows improvement reported issues that considered further improvement to atomate
#255 opened Sep 17, 2018 by sivonxay
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