SMTG-Bham / ShakeNBreak

Defect structure-searching employing chemically-guided bond distortions
https://shakenbreak.readthedocs.io
MIT License
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Sorted structure update #61

Closed kavanase closed 1 year ago

kavanase commented 1 year ago

Previous tests passed except for a handful mainly related to test code (rather than actual code failure) and formatting. Acceptable for now as this sorted_structure issue should be fixed ASAP.