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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
81
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18
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Energies & Forces vs Ionic Step in `SnB`
#29
kavanase
closed
2 years ago
0
I love the smell of fresh PRs in the morning ☕️
#28
kavanase
closed
2 years ago
0
Bond-Length-Dependent Rattle `stdev`?
#27
kavanase
closed
2 years ago
11
Develop
#26
kavanase
closed
2 years ago
0
Develop
#25
kavanase
closed
2 years ago
0
Develop
#24
kavanase
closed
2 years ago
0
Develop
#23
ireaml
closed
2 years ago
0
Develop
#22
kavanase
closed
2 years ago
0
Develop
#21
ireaml
closed
2 years ago
0
Develop
#20
ireaml
closed
2 years ago
0
Merge develop to main
#19
ireaml
closed
2 years ago
0
Update develop
#18
ireaml
closed
2 years ago
0
Develop
#17
ireaml
closed
2 years ago
0
Merge develop to main
#16
ireaml
closed
2 years ago
0
Merge `io_cp2k_qe` to `develop`
#15
ireaml
closed
2 years ago
0
Merge develop and main
#14
ireaml
closed
2 years ago
0
Merge and remove `.idea` folder
#13
kavanase
closed
2 years ago
0
Merge main and develop
#12
kavanase
closed
2 years ago
0
Merge Develop
#11
kavanase
closed
2 years ago
0
Merge Develop to Main
#10
kavanase
closed
2 years ago
0
Folder Structure
#9
kavanase
closed
2 years ago
5
Potential Feature: Distance-dependent Atom Rattling
#8
kavanase
closed
2 years ago
9
Potential Feature: Minimum Interatomic Distance in Generated Structures
#7
kavanase
closed
2 years ago
5
Package Name
#6
kavanase
closed
2 years ago
3
Package Development
#5
kavanase
closed
2 years ago
1
Structure I/O Compatibility (CP2K & Quantum Espresso)
#4
kavanase
closed
2 years ago
2
CLI Functionality
#3
kavanase
closed
2 years ago
0
Merge MC Rattling to Develop
#2
kavanase
closed
2 years ago
0
example_notebook_bash_script_typos
#1
zccalgh
closed
2 years ago
1
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