.coveragerc
.gitignore
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CHANGES.md
LICENSE
README.md
requirements-optional.txt
requirements.txt
setup.cfg
setup.py
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docs/Makefile
docs/make.bat
docs/requirements.txt
docs/_static/api.svg
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docs/src/citing.rst
docs/src/conf.py
docs/src/getting_started.rst
docs/src/index.rst
docs/src/notebooks
docs/src/api_reference/constants.rst
docs/src/api_reference/exceptions.rst
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docs/src/api_reference/io.rst
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docs/src/api_reference/autogen/cofe.extern.rst
docs/src/api_reference/autogen/cofe.rst
docs/src/api_reference/autogen/cofe.space.rst
docs/src/api_reference/autogen/cofe.wrangling.rst
docs/src/api_reference/autogen/moca.ensemble.rst
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docs/src/api_reference/autogen/moca.rst
docs/src/api_reference/autogen/moca.sampler.rst
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docs/src/api_reference/cofe/clusterexpansion.rst
docs/src/api_reference/cofe/clusterspace.rst
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docs/src/api_reference/cofe/index.rst
docs/src/api_reference/cofe/space.basis.rst
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docs/src/api_reference/cofe/space.orbit.rst
docs/src/api_reference/cofe/space.rst
docs/src/api_reference/cofe/wrangling.rst
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docs/src/api_reference/cofe/wrangling.sw.rst
docs/src/api_reference/cofe/wrangling.tools.rst
docs/src/api_reference/moca/ensembles.base.rst
docs/src/api_reference/moca/ensembles.canonical.rst
docs/src/api_reference/moca/ensembles.rst
docs/src/api_reference/moca/ensembles.semigrand.rst
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docs/src/api_reference/moca/processors.base.rst
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docs/src/api_reference/moca/processors.ewald.rst
docs/src/api_reference/moca/processors.expansion.rst
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docs/src/api_reference/moca/sampler.bias.rst
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examples/adding-structures-in-parallel.ipynb
examples/cluster-visualization.ipynb
examples/creating-a-ce-w-electrostatics.ipynb
examples/creating-a-ce.ipynb
examples/running-canonical-mc.ipynb
examples/running-ewald-sim_anneal.ipynb
examples/running-semigrand-mc.ipynb
examples/training-data-preparation.ipynb
examples/data/LMTO.mson
examples/data/basic_ce.mson
examples/data/basic_ce_ewald.mson
examples/data/lmof_entries.json
examples/data/lmof_prim.json
examples/data/lmto_entries.json
examples/data/lmto_indicator.json
examples/data/lmto_prim.json
examples/data/lmto_sinusoid.mson
examples/data/lno_entries.json
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smol/__init__.py
smol/constants.py
smol/correlations.c
smol/correlations.pyx
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smol/io.py
smol/utils.py
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smol/cofe/expansion.py
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smol/cofe/extern/ewald.py
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smol/cofe/wrangling/tools.py
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smol/moca/__init__.py
smol/moca/sublattice.py
smol/moca/ensemble/__init__.py
smol/moca/ensemble/base.py
smol/moca/ensemble/canonical.py
smol/moca/ensemble/semigrand.py
smol/moca/processor/__init__.py
smol/moca/processor/base.py
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smol/moca/processor/ewald.py
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smol/moca/sampler/__init__.py
smol/moca/sampler/bias.py
smol/moca/sampler/container.py
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smol/moca/sampler/mcusher.py
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