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SMTG-Bham/ShakeNBreak

Defect structure-searching employing chemically-guided bond distortions

Owner
SMTG-Bham (organization)
Stars
Stars: 131
Forks
Forks: 28
Language
Python
License
MIT
Created
2021
Topics
materialsmaterials-informaticspoint-defectssciencecomputational-chemistrypymatgenpython3symmetry-breakingstructure-searchingvasp
Tier
Prototype (100 to 249 ★) What this tier means
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