.readthedocs.yaml
LICENSE
MANIFEST.in
README.md
pyproject.toml
pysipfenn/__init__.py
pysipfenn.egg-info/PKG-INFO
pysipfenn.egg-info/SOURCES.txt
pysipfenn.egg-info/dependency_links.txt
pysipfenn.egg-info/requires.txt
pysipfenn.egg-info/top_level.txt
pysipfenn/core/__init__.py
pysipfenn/core/pysipfenn.py
pysipfenn/descriptorDefinitions/KS2022.py
pysipfenn/descriptorDefinitions/KS2022_dilute.py
pysipfenn/descriptorDefinitions/Magpie_element_properties.csv
pysipfenn/descriptorDefinitions/Magpie_property_names.txt
pysipfenn/descriptorDefinitions/README.md
pysipfenn/descriptorDefinitions/Ward2017.py
pysipfenn/descriptorDefinitions/__init__.py
pysipfenn/descriptorDefinitions/labels_KS2022.csv
pysipfenn/descriptorDefinitions/labels_KS2022_dilute.csv
pysipfenn/descriptorDefinitions/labels_Ward2017.csv
pysipfenn/descriptorDefinitions/__pycache__/KS2022.cpython-39.pyc
pysipfenn/descriptorDefinitions/__pycache__/KS2022_dilute.cpython-39.pyc
pysipfenn/descriptorDefinitions/__pycache__/Ward2017.cpython-39.pyc
pysipfenn/descriptorDefinitions/__pycache__/__init__.cpython-39.pyc
pysipfenn/modelsSIPFENN/README.md
pysipfenn/modelsSIPFENN/__init__.py
pysipfenn/modelsSIPFENN/models.json
pysipfenn/tests/__init__.py
pysipfenn/tests/test_AllCompatibleONNX_Ward2017.py
pysipfenn/tests/test_KS2022.py
pysipfenn/tests/test_KS2022_dilute.py
pysipfenn/tests/test_Krajewski2020_NN9NN20NN24_ONNX.py
pysipfenn/tests/test_Ward2017.py
pysipfenn/tests/test_customModel.py
pysipfenn/tests/test_pysipfenn.py
pysipfenn/tests/testCaseFiles/exampleInputFilesDescriptorTable.csv
pysipfenn/tests/testCaseFiles/exampleInputFiles/0-Cr8Fe18Ni4.POSCAR
pysipfenn/tests/testCaseFiles/exampleInputFiles/1-Cr16Fe8Ni6.POSCAR
pysipfenn/tests/testCaseFiles/exampleInputFiles/10-Ce4Ti4O12.POSCAR
pysipfenn/tests/testCaseFiles/exampleInputFiles/11-Fe10Ni20.POSCAR
pysipfenn/tests/testCaseFiles/exampleInputFiles/12-Gd4Cr4O12.POSCAR
pysipfenn/tests/testCaseFiles/exampleInputFiles/13-Fe16Ni14.POSCAR
pysipfenn/tests/testCaseFiles/exampleInputFiles/14-Fe24Ni6.POSCAR
pysipfenn/tests/testCaseFiles/exampleInputFiles/15-Ta4Tl4O12.POSCAR
pysipfenn/tests/testCaseFiles/exampleInputFiles/16-Fe18Ni12.POSCAR
pysipfenn/tests/testCaseFiles/exampleInputFiles/17-Pr4Ga4O12.POSCAR
pysipfenn/tests/testCaseFiles/exampleInputFiles/18-Fe28Ni2.POSCAR
pysipfenn/tests/testCaseFiles/exampleInputFiles/19-Fe4Ni26.POSCAR
pysipfenn/tests/testCaseFiles/exampleInputFiles/2-Fe8Ni22.POSCAR
pysipfenn/tests/testCaseFiles/exampleInputFiles/20-Fe8Ni22.POSCAR
pysipfenn/tests/testCaseFiles/exampleInputFiles/21-Fe10Ni20.POSCAR
pysipfenn/tests/testCaseFiles/exampleInputFiles/22-Fe10Ni20.POSCAR
pysipfenn/tests/testCaseFiles/exampleInputFiles/23-Fe12Ni18.POSCAR
pysipfenn/tests/testCaseFiles/exampleInputFiles/24-Fe16Ni14.POSCAR
pysipfenn/tests/testCaseFiles/exampleInputFiles/25-Fe12Ni18.POSCAR
pysipfenn/tests/testCaseFiles/exampleInputFiles/26-Fe8Ni22.POSCAR
pysipfenn/tests/testCaseFiles/exampleInputFiles/27-Cr28Fe2.POSCAR
pysipfenn/tests/testCaseFiles/exampleInputFiles/28-Fe26Ni4.POSCAR
pysipfenn/tests/testCaseFiles/exampleInputFiles/29-Fe12Ni18.POSCAR
pysipfenn/tests/testCaseFiles/exampleInputFiles/3-Cr18Fe12.POSCAR
pysipfenn/tests/testCaseFiles/exampleInputFiles/30-Cr26Fe4.POSCAR
pysipfenn/tests/testCaseFiles/exampleInputFiles/31-Li24Al4Ni32.POSCAR
pysipfenn/tests/testCaseFiles/exampleInputFiles/4-Fe30.POSCAR
pysipfenn/tests/testCaseFiles/exampleInputFiles/5-Cr22Fe8.POSCAR
pysipfenn/tests/testCaseFiles/exampleInputFiles/6-Fe2Ni28.POSCAR
pysipfenn/tests/testCaseFiles/exampleInputFiles/7-Cr18Fe12.POSCAR
pysipfenn/tests/testCaseFiles/exampleInputFiles/8-Cr2Fe16Ni12.POSCAR
pysipfenn/tests/testCaseFiles/exampleInputFiles/9-Pb8O12.POSCAR
pysipfenn/tests/testCaseFiles/exampleInputFiles_500atom/1-Zr220Cu280.POSCAR
pysipfenn/tests/testCaseFiles/exampleInputFiles_500atom/2-Zr220Cu280.POSCAR
pysipfenn/tests/testCaseFiles/exampleInputFiles_500atom/3-Zr220Cu280.POSCAR