LICENSE
README.md
pyproject.toml
main/Sapphire/Process.py
main/Sapphire/__init__.py
main/Sapphire/api.py
main/Sapphire/CNA/Classify.py
main/Sapphire/CNA/FramePattern.py
main/Sapphire/CNA/FrameSignature.py
main/Sapphire/CNA/Model.py
main/Sapphire/CNA/Pattern_Writer.py
main/Sapphire/CNA/Utilities.py
main/Sapphire/CNA/__init__.py
main/Sapphire/Graphing/Plot_Funcs.py
main/Sapphire/Graphing/Reader.py
main/Sapphire/Graphing/__init__.py
main/Sapphire/IO/OutputInfo.py
main/Sapphire/IO/OutputInfoExec.py
main/Sapphire/IO/OutputInfoFull.py
main/Sapphire/IO/OutputInfoHetero.py
main/Sapphire/IO/OutputInfoHomo.py
main/Sapphire/IO/Reader.py
main/Sapphire/IO/__init__.py
main/Sapphire/Light/ClassSpec.py
main/Sapphire/Light/Epsilon_DFT.py
main/Sapphire/Light/Epsilon_ExpClass.py
main/Sapphire/Light/__init__.py
main/Sapphire/Post_Process/Adjacent.py
main/Sapphire/Post_Process/AtomicEnvironment.py
main/Sapphire/Post_Process/DistFuncs.py
main/Sapphire/Post_Process/Kernels.py
main/Sapphire/Post_Process/Mass_Activity.py
main/Sapphire/Post_Process/Morphology.py
main/Sapphire/Post_Process/Radii.py
main/Sapphire/Post_Process/Stats.py
main/Sapphire/Post_Process/__init__.py
main/Sapphire/Potentials/Ag.eam.alloy
main/Sapphire/Potentials/AuRh.adp.txt
main/Sapphire/Potentials/Au_5T.eam.alloy
main/Sapphire/Potentials/Cu1.eam.fs
main/Sapphire/Potentials/Gupta.py
main/Sapphire/Potentials/GuptaParameters.py
main/Sapphire/Potentials/GuptaPotential.py
main/Sapphire/Potentials/Li_v2.eam.fs
main/Sapphire/Potentials/MLCalculator.py
main/Sapphire/Potentials/Ni_v6_2.0.eam
main/Sapphire/Potentials/Pd.set
main/Sapphire/Potentials/Potentials.py
main/Sapphire/Potentials/Pt.set
main/Sapphire/Potentials/PtAu.eam.alloy
main/Sapphire/Potentials/__init__.py
main/Sapphire/Sapphire-logos/Sapphire-logos.jpeg
main/Sapphire/Sapphire-logos/Sapphire-logos_black.png
main/Sapphire/Sapphire-logos/Sapphire-logos_transparent.png
main/Sapphire/Sapphire-logos/Sapphire-logos_white.png
main/Sapphire/Sapphire-logos/logo_info.txt
main/Sapphire/Tutorials/ReadMe.md
main/Sapphire/Tutorials/__init__.py
main/Sapphire/Tutorials/data.py
main/Sapphire/Tutorials/01_Build_and_Inspect/Tutorial.ipynb
main/Sapphire/Tutorials/02_PDDF_and_Cutoff/Tutorial.ipynb
main/Sapphire/Tutorials/03_Adjacency_CN_aGCN/Tutorial.ipynb
main/Sapphire/Tutorials/04_CNA_Signatures_and_Patterns/Tutorial.ipynb
main/Sapphire/Tutorials/05_Trajectory_Analysis_with_Process/Tutorial.ipynb
main/Sapphire/Tutorials/06_Statistics_and_Changepoints/Tutorial.ipynb
main/Sapphire/Tutorials/07_Shape_MoI_and_Radii/Tutorial.ipynb
main/Sapphire/Tutorials/08_Ensemble_Averaging/Tutorial.ipynb
main/Sapphire/Tutorials/09_ML_Potentials/Tutorial.ipynb
main/Sapphire/Tutorials/Data/ReadMe.md
main/Sapphire/Tutorials/Data/samples/AgNi_sample.xyz.gz
main/Sapphire/Tutorials/Data/samples/AuPd_sample.xyz.gz
main/Sapphire/Tutorials/Data/samples/AuPt_sample.xyz.gz
main/Sapphire/Tutorials/Data/samples/CuNi_sample.xyz.gz
main/Sapphire/Utilities/ExtendXYZ.py
main/Sapphire/Utilities/Initial.py
main/Sapphire/Utilities/Pattern_Clean.py
main/Sapphire/Utilities/Supported.py
main/Sapphire/Utilities/System_Clean.py
main/Sapphire/Utilities/__init__.py
main/Sapphire/Utilities/errors.py
main/Sapphire/Utilities/log.py
main/Sapphire/Utilities/Building/__init__.py
main/Sapphire/Utilities/Building/nano_oct.py
main/Sapphire/Utilities/Building/nanodeca.py
main/Sapphire/Utilities/Building/nanoico.py
main/sapphire_nano.egg-info/PKG-INFO
main/sapphire_nano.egg-info/SOURCES.txt
main/sapphire_nano.egg-info/dependency_links.txt
main/sapphire_nano.egg-info/requires.txt
main/sapphire_nano.egg-info/top_level.txt
tests/test_api.py
tests/test_bimetallic.py
tests/test_classify.py
tests/test_distfuncs.py
tests/test_graphing.py
tests/test_gupta.py
tests/test_imports.py
tests/test_light.py
tests/test_mass_activity.py
tests/test_mlcalculator.py
tests/test_morphology.py
tests/test_potentials.py
tests/test_process_smoke.py
tests/test_reader.py