├── .gitignore ├── CHANGES.txt ├── LICENSE.txt ├── MANIFEST.in ├── README.md ├── bin ├── BCC-interstitial.yaml ├── CLdiffuser.py ├── FCC-interstitial.yaml ├── HCP-interstitial.T ├── HCP-interstitial.yaml ├── OctaTetra-interstitial.py ├── fivefreq.dat └── fivefreq.py ├── docs ├── Makefile └── source │ ├── CrystalStars.rst │ ├── GFcalc.rst │ ├── InputOutput.ipynb │ ├── OnsagerCalc.rst │ ├── PowerExpansion.rst │ ├── automator.rst │ ├── cluster.rst │ ├── conf.py │ ├── crystal.rst │ ├── examples │ ├── FCC-Co-O.ipynb │ ├── Fe-C.ipynb │ ├── GF-convergence.ipynb │ ├── Garnet.ipynb │ ├── LargeOmega2.ipynb │ ├── NiSi.ipynb │ ├── Random-alloy.ipynb │ └── Tracer-correlation.ipynb │ ├── includeme.rst │ ├── index.rst │ ├── modules.rst │ ├── notebooks.rst │ └── supercell.rst ├── examples ├── FCC-Co-O.ipynb ├── Fe-C.ipynb ├── GF-RBC.ipynb ├── GF-convergence.ipynb ├── Garnet.ipynb ├── HCPtracer.ipynb ├── KMCfromJumpNetwork.ipynb ├── LargeOmega2.ipynb ├── NiSi.ipynb ├── Random-alloy.ipynb └── 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