├── .circleci └── config.yml ├── .coveragerc ├── .gitattributes ├── .github └── workflows │ └── test.yml ├── .gitignore ├── .pylintrc ├── .travis.yml ├── ADMINISTRATA.md ├── CITATION.md ├── DOCKER.md ├── LICENSE.md ├── MANIFEST.in ├── README.md ├── default.nix ├── doc ├── API.rst ├── EXAMPLES.rst ├── Makefile ├── THEORY.rst ├── _static │ ├── pymks.css │ ├── pymks_logo.ico │ └── pymks_logo.svg ├── _templates │ ├── layout.html │ └── release.html ├── cahn-hilliard.png ├── conf.py ├── contents.rst ├── index.rst ├── plot_microstructures.png ├── requirements.txt └── strain.png ├── docker.nix ├── environment.yml ├── index.ipynb ├── notebooks ├── cahn_hilliard.ipynb ├── cahn_hilliard_legendre.ipynb ├── checkerboard.ipynb ├── data_0.528_3.8_000160.txt ├── derivation.ipynb ├── elasticity.ipynb ├── elasticity3d.ipynb ├── fiber.ipynb ├── filter.ipynb ├── graph-descriptors.ipynb ├── image.tiff ├── intro.ipynb ├── intro_parallel.ipynb ├── multiphase.ipynb ├── sanitize.cfg ├── stress.ipynb └── tech_overview.ipynb ├── pymks ├── __init__.py ├── _version.py ├── bases │ ├── __init__.py │ ├── abstract.py │ ├── fftmodule.py │ ├── fourier.py │ ├── gsh.py │ ├── gsh_functions │ │ ├── __init__.py │ │ ├── gsh_cub_tri_L0_16.py │ │ ├── gsh_hex_tri_L0_16.py │ │ └── gsh_tri_tri_L0_13.py │ ├── imag_ffts.py │ ├── legendre.py │ ├── primitive.py │ └── real_ffts.py ├── datasets │ ├── __init__.py │ ├── base_microstructure_generator.py │ ├── cahn_hilliard_simulation.py │ ├── elastic_FE_simulation.py │ ├── microstructure_generator.py │ └── spherical_microstructure_generator.py ├── filter.py ├── fmks │ ├── __init__.py │ ├── bases │ │ ├── __init__.py │ │ ├── basis_transformer.py │ │ ├── legendre.py │ │ └── primitive.py │ ├── correlations.py │ ├── data │ │ ├── __init__.py │ │ ├── cahn_hilliard.py │ │ ├── checkerboard.py │ │ ├── delta.py │ │ ├── elastic_fe.py │ │ └── multiphase.py │ ├── func.py │ ├── graspi.py │ ├── localization.py │ ├── pair_correlations.py │ ├── plot.py │ └── tests │ │ ├── test_fe.py │ │ ├── test_filter.py │ │ ├── test_func.py │ │ ├── test_graspi.py │ │ ├── test_homogenization_fmks.py │ │ ├── test_legendre.py │ │ ├── test_localization.py │ │ ├── test_multiphase.py │ │ ├── test_pair_correlations.py │ │ ├── test_plot.py │ │ ├── test_primitive.py │ │ └── test_twopoint.py ├── mks_homogenization_model.py ├── mks_localization_model.py ├── mks_structure_analysis.py ├── stats.py ├── tests │ ├── test.py │ ├── test_basis_functions.py │ ├── test_datasets.py │ ├── test_elastic_FE_simulation.py │ ├── test_homogenization_pymks.py │ ├── test_microstructure_generator.py │ ├── test_pymks_filter.py │ ├── test_pymks_localization.py │ ├── test_stats.py │ └── test_structure_analysis.py └── tools.py ├── sandbox ├── ch-benchmark.ipynb ├── sandbox.ipynb └── widgets.ipynb ├── setup.cfg ├── setup.py ├── shell.nix ├── untested_notebooks ├── localization_elasticity_polycrystal_hex_3D.ipynb ├── stats_steel.ipynb ├── structure_ising_2D.ipynb └── structure_md_2D.ipynb └── 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