Skip to content

Issues: materialsproject/atomate2

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

43 Open 145 Closed
43 Open 145 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

The inappropriate warnning info for update_user_incar_settings.
#1059 opened Nov 19, 2024 by hongyi-zhao
BUG: ValueError in test_magnetic_orderings bug Something isn't working magnetism Magnetism related testing Test all the things
#1057 opened Nov 14, 2024 by janosh
2
ElasticMaker flow fails with MAGMOM settings when using MP API data.
#1049 opened Nov 9, 2024 by hongyi-zhao
2
Behavior for retrieving average volume when not found in database
#1045 opened Nov 6, 2024 by abhijeetgangan
3
Brainstorm: More transparency with regards to default parameters
#1038 opened Nov 2, 2024 by Andrew-S-Rosen
17
ValueEnum conflict between emmet and jobflow
#1002 opened Sep 30, 2024 by gpetretto
6
BUG: elastic stress tensor instability
#987 opened Sep 18, 2024 by chtchelkatchev
6
Custodian handlers switched off by default for certain VASP workflows?
#968 opened Sep 6, 2024 by JaGeo
BUG: Reference to deprecated pymatgen.analysis.defects
#965 opened Aug 27, 2024 by benrich37
2
Issue with VASP_VDW_KERNEL_DIR Setup Not Locating vdw_kernel.bindat File
#959 opened Aug 20, 2024 by YuanbinLiu
8
BUG: database not updating after job is finished
#912 opened Jul 3, 2024 by edansi
21
Issue with maker Attribute Revision in atomate2
#895 opened Jun 23, 2024 by hongyi-zhao
8
FEATURE: Quasi-harmonic Approximation
#890 opened Jun 18, 2024 by JaGeo
6 tasks
1
3
BUG: MAGMOM not preserved in r2SCAN workflow
#862 opened May 29, 2024 by ShawnTxY
9
ElasticMaker shouldn't use submaker as default factory by design
#845 opened May 12, 2024 by chiang-yuan
3
BUG:Could not resolve reference
#836 opened May 8, 2024 by lihaojie87
5
Improve failed perturbations handling in elastic workflow
#817 opened Apr 24, 2024 by gpetretto
1
Feature: add an additional step to the LOBSTER workflow to reduce run times
#812 opened Apr 22, 2024 by JaGeo
FEATURE: GW workflow with VASP
#800 opened Apr 4, 2024 by yanghan234
4
Discussion: sigma value in NSCF calculation
#772 opened Mar 11, 2024 by Andrew-S-Rosen
BUG: WAVECAR deletion
#769 opened Mar 9, 2024 by JaGeo
8
Dealing with large structures in the phonon workflow for forcefields
#754 opened Feb 28, 2024 by JaGeo
5
Advertising the atomate2 paper writing docs Improvements or additions to documentation paper atomate2 publication
#750 opened Feb 27, 2024 by Zhuoying
81
Design of a universal base DFT task document
#741 opened Feb 24, 2024 by utf
10
More tutorials
#591 opened Oct 23, 2023 by JaGeo
12
ProTip! no:milestone will show everything without a milestone.