Skip to content

Issues: hackingmaterials/atomate

New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

Sign up for GitHub

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

40 Open 85 Closed
40 Open 85 Closed
Author
Filter by author
Loading
Label
Filter by label
Loading
Use alt + click/return to exclude labels
or ⇧ + click/return for logical OR
Projects
Filter by project
Loading
Milestones
Filter by milestone
Loading
Assignee
Filter by who’s assigned
Sort
Sort by
Newest Oldest Most commented Least commented Recently updated Least recently updated Best match
Most reactions
👍 👎 😄 🎉 😕 ❤️ 🚀 👀

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
ProTip! Exclude everything labeled bug with -label:bug.