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mdevaluate
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doc/conf.py
doc/contributing.rst
doc/dynamic-evaluation.rst
doc/general-hints.rst
doc/guide.rst
doc/index.rst
doc/installation.rst
doc/loading.rst
doc/make.bat
doc/Makefile
doc/mdevaluate.rst
doc/modules.rst
doc/special-topics.rst
doc/special/autosave.rst
doc/special/energies.rst
doc/special/overlap.rst
doc/special/spatial.rst
doc/static-evaluation.rst
examples/plot_chi4.py
examples/plot_isf.py
examples/plot_spatialisf.py
examples/plot_temperature.py
examples/README.txt
LICENSE
pyproject.toml
README.md
requirements.txt
src/mdevaluate/__init__.py
src/mdevaluate/atoms.py
src/mdevaluate/autosave.py
src/mdevaluate/checksum.py
src/mdevaluate/chill.py
src/mdevaluate/coordinates.py
src/mdevaluate/correlation.py
src/mdevaluate/distribution.py
src/mdevaluate/functions.py
src/mdevaluate/logging.py
src/mdevaluate/pbc.py
src/mdevaluate/reader.py
src/mdevaluate/system.py
src/mdevaluate/utils.py
test/data/water/topol.tpr
test/data/water/traj.xtc
test/test_atoms.py
test/test_checksum.py
test/test_coordinates.py
test/test_pbc.py
test/test_utils.py
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