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Issues list

Advertising the atomate2 paper writing docs Improvements or additions to documentation paper atomate2 publication
#750 opened Feb 27, 2024 by Zhuoying
81
BUG: database not updating after job is finished
#912 opened Jul 3, 2024 by edansi
21
Logo for atomate2
#372 opened Jun 6, 2023 by JaGeo
13
More tutorials
#591 opened Oct 23, 2023 by JaGeo
12
Standardized approach for job checkpoint/restart/continuation
#156 opened Jul 14, 2022 by jmmshn
12
Design of a universal base DFT task document
#741 opened Feb 24, 2024 by utf
10
BUG: MAGMOM not preserved in r2SCAN workflow
#862 opened May 29, 2024 by ShawnTxY
9
Issue with VASP_VDW_KERNEL_DIR Setup Not Locating vdw_kernel.bindat File
#959 opened Aug 20, 2024 by YuanbinLiu
8
Issue with maker Attribute Revision in atomate2
#895 opened Jun 23, 2024 by hongyi-zhao
8
BUG: WAVECAR deletion
#769 opened Mar 9, 2024 by JaGeo
8
Output document for large MD output files discussion API design discussions
#515 opened Sep 9, 2023 by gpetretto
8
BUG: Sphinx is caching docs data that increases your .git folder size
#345 opened May 20, 2023 by Andrew-S-Rosen
8
VASP rule: if LELF=True then NPAR=NCORE=1
#423 opened Jul 4, 2023 by Andrew-S-Rosen
7
Should task_label always match job name?
#150 opened Jul 2, 2022 by jmmshn
7
BUG: elastic stress tensor instability
#987 opened Sep 18, 2024 by chtchelkatchev
6
BUG:Could not resolve reference
#836 opened May 8, 2024 by lihaojie87
5
Dealing with large structures in the phonon workflow for forcefields
#754 opened Feb 28, 2024 by JaGeo
5
Better Quick Start Guide
#405 opened Jun 26, 2023 by Andrew-S-Rosen
5
Projections in VASP
#201 opened Nov 9, 2022 by JaGeo
5
FEATURE: GW workflow with VASP
#800 opened Apr 4, 2024 by yanghan234
4
Standardize approach for postprocessing data: use builders? discussion API design discussions
#466 opened Aug 9, 2023 by mattmcdermott
4
CONTCAR -> POSCAR check
#152 opened Jul 4, 2022 by jmmshn
4
FEATURE: Quasi-harmonic Approximation
#890 opened Jun 18, 2024 by JaGeo
6 tasks
1
3
ElasticMaker shouldn't use submaker as default factory by design
#845 opened May 12, 2024 by chiang-yuan
3
BUG: Reference to deprecated pymatgen.analysis.defects
#965 opened Aug 27, 2024 by benrich37
2
ProTip! Updated in the last three days: updated:>2024-09-20.