.gitignore
AUTHORS
LICENSE
MANIFEST.in
NOTICE
README.md
pyproject.toml
data/benchmark/README.md
data/benchmark/generate_structures.ipynb
data/benchmark/structures/structures_100.npz
data/benchmark/structures/structures_1000.npz
data/benchmark/structures/structures_10000.npz
data/benchmark/structures/structures_11000.npz
data/benchmark/structures/structures_12000.npz
data/benchmark/structures/structures_13000.npz
data/benchmark/structures/structures_14000.npz
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data/benchmark/structures/structures_7000.npz
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data/benchmark/structures/structures_9000.npz
docs/Makefile
docs/make.bat
docs/source/api_reference.rst
docs/source/conf.py
docs/source/index.rst
docs/source/installation.rst
docs/source/msmjax.bspline.basis.rst
docs/source/msmjax.bspline.coefficients.rst
docs/source/msmjax.bspline.gridops.rst
docs/source/msmjax.bspline.rst
docs/source/msmjax.calculators.rst
docs/source/msmjax.core.longrange.rst
docs/source/msmjax.core.rst
docs/source/msmjax.core.shortrange.rst
docs/source/msmjax.kernels.rst
docs/source/msmjax.utils.benchmarking.rst
docs/source/msmjax.utils.general.rst
docs/source/msmjax.utils.rst
docs/source/setup_and_run.rst
docs/source/user_guide.rst
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src/MSMJax.egg-info/PKG-INFO
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src/msmjax/bspline/__init__.py
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src/msmjax/bspline/coefficients.py
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src/msmjax/core/__init__.py
src/msmjax/core/longrange.py
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src/msmjax/utils/benchmarking.py
src/msmjax/utils/general.py
tests/__init__.py
tests/test_bspline_basis.py
tests/test_bspline_coefficients.py
tests/test_end_to_end.py
tests/test_gridops.py
tests/test_kernels.py
tests/test_shortrange.py
tests/data/generate_reference_results.ipynb
tests/data/nonperiodic_cubic.npz
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tests/data/nonperiodic_triclinic.npz
tests/data/periodic_cubic.npz
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