.gitignore
LICENSE
Makefile
README.md
pyproject.toml
ruff.toml
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examples/md/watertiny/input.fnl
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examples/training/README.md
examples/training/ani.yaml
examples/training/crate.yaml
examples/training/rmd17_aspirin_01.pkl
pdoc_templates/search.html.jinja2
scripts/compute_rdf.py
scripts/detect_topology.py
scripts/minimize.py
scripts/show_tree.py
src/FeNNol.egg-info/PKG-INFO
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src/FeNNol.egg-info/dependency_links.txt
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src/fennol/md/__init__.py
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src/fennol/md/integrate.py
src/fennol/md/spectra.py
src/fennol/md/thermostats.py
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src/fennol/models/__init__.py
src/fennol/models/fennix.py
src/fennol/models/inspect.py
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src/fennol/models/embeddings/__init__.py
src/fennol/models/embeddings/aimnet.py
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src/fennol/models/embeddings/crate.py
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src/fennol/models/embeddings/gaussian_moments.py
src/fennol/models/embeddings/hipnn.py
src/fennol/models/embeddings/mace.py
src/fennol/models/embeddings/minimace.py
src/fennol/models/embeddings/newtonnet.py
src/fennol/models/embeddings/painn.py
src/fennol/models/embeddings/raster.py
src/fennol/models/embeddings/schnet.py
src/fennol/models/embeddings/spookynet.py
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src/fennol/models/physics/__init__.py
src/fennol/models/physics/bond.py
src/fennol/models/physics/dispersion.py
src/fennol/models/physics/electric_field.py
src/fennol/models/physics/electrostatics.py
src/fennol/models/physics/nlh_coeffs.dat
src/fennol/models/physics/polarisation.py
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src/fennol/training/utils.py
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src/fennol/utils/atomic_units.py
src/fennol/utils/deconvolution.py
src/fennol/utils/initializers.py
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test/test_electric_field.py
test/test_polarisation.py
test/test_unit_parser.py