AUTHORS.rst
CONTRIBUTING.rst
HISTORY.rst
LICENSE
MANIFEST.in
README.rst
setup.cfg
setup.py
docs/Makefile
docs/authors.rst
docs/conf.py
docs/contributing.rst
docs/examples.rst
docs/history.rst
docs/index.rst
docs/installation.rst
docs/jaxip.atoms.rst
docs/jaxip.datasets.rst
docs/jaxip.descriptors.acsf.rst
docs/jaxip.descriptors.rst
docs/jaxip.models.nn.rst
docs/jaxip.models.rst
docs/jaxip.potentials.nnp.rst
docs/jaxip.potentials.rst
docs/jaxip.rst
docs/jaxip.utils.rst
docs/make.bat
docs/modules.rst
docs/readme.rst
docs/theory.rst
docs/usage.rst
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docs/_build/doctrees/nbsphinx/notebooks_tutorials_45_0.png
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docs/_build/html/_static/file.png
docs/_build/html/_static/minus.png
docs/_build/html/_static/plus.png
docs/images/flowchart.drawio.png
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jaxip/__init__.py
jaxip/_version.py
jaxip/config.py
jaxip/logger.py
jaxip/pytree.py
jaxip/types.py
jaxip/units.py
jaxip.egg-info/PKG-INFO
jaxip.egg-info/SOURCES.txt
jaxip.egg-info/dependency_links.txt
jaxip.egg-info/entry_points.txt
jaxip.egg-info/not-zip-safe
jaxip.egg-info/requires.txt
jaxip.egg-info/top_level.txt
jaxip/atoms/__init__.py
jaxip/atoms/_box.py
jaxip/atoms/_neighbor.py
jaxip/atoms/_structure.py
jaxip/atoms/box.py
jaxip/atoms/element.py
jaxip/atoms/neighbor.py
jaxip/atoms/structure.py
jaxip/datasets/__init__.py
jaxip/datasets/runner.py
jaxip/datasets/transformer.py
jaxip/descriptors/__init__.py
jaxip/descriptors/base.py
jaxip/descriptors/scaler.py
jaxip/descriptors/acsf/__init__.py
jaxip/descriptors/acsf/_acsf.py
jaxip/descriptors/acsf/acsf.py
jaxip/descriptors/acsf/angular.py
jaxip/descriptors/acsf/cutoff.py
jaxip/descriptors/acsf/radial.py
jaxip/descriptors/acsf/symmetry.py
jaxip/models/__init__.py
jaxip/models/nn/__init__.py
jaxip/models/nn/activation.py
jaxip/models/nn/initializer.py
jaxip/models/nn/network.py
jaxip/potentials/__init__.py
jaxip/potentials/_energy.py
jaxip/potentials/_force.py
jaxip/potentials/atomic_potential.py
jaxip/potentials/nnp/__init__.py
jaxip/potentials/nnp/gradient_descent.py
jaxip/potentials/nnp/kalman_filter.py
jaxip/potentials/nnp/metrics.py
jaxip/potentials/nnp/potential.py
jaxip/potentials/nnp/settings.py
jaxip/utils/__init__.py
jaxip/utils/attribute.py
jaxip/utils/batch.py
jaxip/utils/compare.py
jaxip/utils/profiler.py
jaxip/utils/tokenize.py
tests/__init__.py
tests/h2o.data
tests/h2o.json
tests/scaling.001.data
tests/scaling.008.data
tests/test_acsf.py
tests/test_nn.py
tests/test_nnp.py
tests/test_runner.py
tests/test_scaler.py
tests/test_structure.py
tests/weights.001.pkl
tests/weights.008.pkl
tests/.ipynb_checkpoints/h2o-checkpoint.data
tests/.ipynb_checkpoints/h2o-checkpoint.json
tests/.ipynb_checkpoints/input.h2o-checkpoint.data
tests/.ipynb_checkpoints/test-checkpoint.ipynb