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SMTG-Bham / doped

doped is a Python software for the generation, pre-/post-processing and analysis of defect supercell calculations, implementing the defect simulation workflow in an efficient, reproducible, user-friendly yet powerful and fully-customisable manner.
https://doped.readthedocs.io
MIT License
129 stars 31 forks source link

`doped` `v2.1` #41

Closed kavanase closed 10 months ago

kavanase commented 10 months ago

All tests passing on earlier runs, merging ✌️