LICENSE
MANIFEST.in
README.md
pyproject.toml
src/vitrum/__init__.py
src/vitrum/bonds.py
src/vitrum/comparison.py
src/vitrum/coordination.py
src/vitrum/diffusion.py
src/vitrum/geometry.py
src/vitrum/glass_atoms.py
src/vitrum/io_helpers.py
src/vitrum/mlip_functions.py
src/vitrum/packing.py
src/vitrum/persistent_homology.py
src/vitrum/py.typed
src/vitrum/rings.py
src/vitrum/scattering.py
src/vitrum/scattering_lengths.csv
src/vitrum/structure_gen.py
src/vitrum/structure_validation.py
src/vitrum/trajectory_tools.py
src/vitrum/visualization.py
src/vitrum/voids.py
src/vitrum/volume_estimation.py
src/vitrum/x_ray_scattering_factor_coefficients.csv
src/vitrum.egg-info/PKG-INFO
src/vitrum.egg-info/SOURCES.txt
src/vitrum.egg-info/dependency_links.txt
src/vitrum.egg-info/requires.txt
src/vitrum.egg-info/top_level.txt
src/vitrum/batch_active/__init__.py
src/vitrum/batch_active/database.py
src/vitrum/batch_active/flows.py
src/vitrum/batch_active/get_structures.py
src/vitrum/batch_active/input_writer.py
src/vitrum/batch_active/learning.py
src/vitrum/batch_active/structure_gen.py
src/vitrum/batch_active/workflow.py
tests/test_api_contracts.py
tests/test_bonds.py
tests/test_coordination.py
tests/test_cutoffs.py
tests/test_diffusion.py
tests/test_geometry.py
tests/test_glass_atoms.py
tests/test_glass_trajectory.py
tests/test_io_helpers.py
tests/test_packaging.py
tests/test_packing.py
tests/test_rings.py
tests/test_scattering.py
tests/test_structure_gen.py
tests/test_structure_validation.py
tests/test_voids.py
tests/test_volume_estimation.py