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SMTG-Bham
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ShakeNBreak
Defect structure-searching employing chemically-guided bond distortions
https://shakenbreak.readthedocs.io
MIT License
79
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17
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Develop
#77
ireaml
closed
1 month ago
1
Create py.typed
#76
Andrew-S-Rosen
closed
1 month ago
2
Develop
#75
kavanase
closed
3 months ago
1
Develop
#74
kavanase
closed
3 months ago
1
Incompatibility with newly release pymatgen==5.31.2024
#73
Andrew-S-Rosen
closed
3 months ago
3
Feature request: lift the lower-bound version pin on spglib
#72
Andrew-S-Rosen
closed
3 months ago
1
Develop
#71
kavanase
closed
4 months ago
1
Develop
#70
kavanase
closed
6 months ago
1
`snb-run -h` in fresh conda install gives ImportError
#69
lucydot
closed
6 months ago
2
New `doped` version is needed
#68
Andrew-S-Rosen
closed
6 months ago
7
Develop
#67
kavanase
closed
6 months ago
0
HPS rejects tasks given by snb-run
#66
BAN-2
closed
6 months ago
12
Bump the python-packages group with 1 update
#65
dependabot[bot]
closed
6 months ago
0
`ShakeNBreak` 3.3.0
#64
kavanase
closed
7 months ago
1
Develop
#63
ireaml
closed
8 months ago
0
Merge changes from `sync_dimer` branch
#62
ireaml
closed
8 months ago
0
Sorted structure update
#61
kavanase
closed
11 months ago
1
Develop
#60
kavanase
closed
1 year ago
0
Develop
#59
kavanase
closed
1 year ago
0
Develop
#58
kavanase
closed
1 year ago
1
Develop
#57
kavanase
closed
1 year ago
0
`v3.1.0`; extending compatibility to `python=3.11`
#56
kavanase
closed
1 year ago
1
Bump the python-packages group with 1 update
#55
dependabot[bot]
closed
1 year ago
1
Develop
#54
kavanase
closed
1 year ago
1
Version `2.0.0`
#53
kavanase
closed
1 year ago
1
Develop
#52
kavanase
closed
1 year ago
1
Develop
#51
kavanase
closed
1 year ago
1
Missing "Defects_dict" when importing Json from doped
#50
geli7676
closed
1 year ago
2
Develop
#49
kavanase
closed
1 year ago
0
Develop
#48
kavanase
closed
1 year ago
0
Question about Structure Generation
#47
tommyxuecong
closed
1 year ago
3
Importing library error
#46
AndresOrtegaGuerrero
closed
1 year ago
7
Fix numpy typing docs issue
#45
kavanase
closed
1 year ago
0
Develop
#44
ireaml
closed
1 year ago
0
fix version number
#43
ireaml
closed
1 year ago
0
Develop
#42
ireaml
closed
1 year ago
0
`snb-regenerate` dict error
#41
kantaimperial
closed
1 year ago
2
add JOSS badge to readme/docs
#40
ireaml
closed
1 year ago
0
update bib entry and version
#39
ireaml
closed
1 year ago
0
Update paper
#38
ireaml
closed
1 year ago
0
Develop
#37
ireaml
closed
1 year ago
0
Confirmed, docs plots actually included this time
#36
kavanase
closed
1 year ago
0
Develop
#35
kavanase
closed
1 year ago
0
Develop
#34
kavanase
closed
1 year ago
0
Develop
#33
ireaml
closed
1 year ago
0
merge develop to main
#32
ireaml
closed
1 year ago
0
Merge from `Pymatgen>2022.8.23_compatibility` to `main`
#31
ireaml
closed
1 year ago
0
Pymatgen>2022.8.23 compatibility
#30
ireaml
closed
1 year ago
0
Energies & Forces vs Ionic Step in `SnB`
#29
kavanase
closed
1 year ago
0
I love the smell of fresh PRs in the morning ☕️
#28
kavanase
closed
1 year ago
0
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