LICENSE
MANIFEST.in
README.md
THIRD_PARTY_NOTICES.md
pyproject.toml
src/cristma/__init__.py
src/cristma/diagnostics.py
src/cristma.egg-info/PKG-INFO
src/cristma.egg-info/SOURCES.txt
src/cristma.egg-info/dependency_links.txt
src/cristma.egg-info/requires.txt
src/cristma.egg-info/top_level.txt
src/cristma/chemistry/__init__.py
src/cristma/chemistry/analyzer.py
src/cristma/chemistry/classification.py
src/cristma/chemistry/composition.py
src/cristma/chemistry/elements.py
src/cristma/chemistry/evidence.py
src/cristma/chemistry/grammar.py
src/cristma/chemistry/species.py
src/cristma/core/__init__.py
src/cristma/core/cell.py
src/cristma/core/structure.py
src/cristma/core/values.py
src/cristma/crystal_chemistry/__init__.py
src/cristma/crystal_chemistry/_ring_search.py
src/cristma/crystal_chemistry/contact_analysis.py
src/cristma/crystal_chemistry/incidence_orbits.py
src/cristma/crystal_chemistry/materialization.py
src/cristma/crystal_chemistry/models.py
src/cristma/crystal_chemistry/orbit_contacts.py
src/cristma/crystal_chemistry/periodic_connectivity.py
src/cristma/crystal_chemistry/policy.py
src/cristma/crystal_chemistry/polyhedra.py
src/cristma/crystal_chemistry/polyhedron_orbits.py
src/cristma/crystal_chemistry/representation.py
src/cristma/crystal_chemistry/ring_finder.py
src/cristma/crystal_chemistry/rings.py
src/cristma/crystal_chemistry/shannon_distance.py
src/cristma/crystal_chemistry/shell_orbits.py
src/cristma/crystal_chemistry/structural_blocks.py
src/cristma/crystal_chemistry/structural_graph.py
src/cristma/crystal_chemistry/structural_units.py
src/cristma/crystallography/__init__.py
src/cristma/crystallography/asu_mapping.py
src/cristma/crystallography/catalog.py
src/cristma/crystallography/local_geometry.py
src/cristma/crystallography/orbit.py
src/cristma/crystallography/pair_canonical.py
src/cristma/crystallography/periodic_relation.py
src/cristma/crystallography/space_group.py
src/cristma/crystallography/symmetry_context.py
src/cristma/crystallography/symmetry_pairs.py
src/cristma/crystallography/wyckoff.py
src/cristma/diffraction/__init__.py
src/cristma/diffraction/diagnostics.py
src/cristma/diffraction/extinction.py
src/cristma/diffraction/models.py
src/cristma/diffraction/powder.py
src/cristma/diffraction/powder_correction_models.py
src/cristma/diffraction/powder_corrections.py
src/cristma/diffraction/powder_models.py
src/cristma/diffraction/profile_models.py
src/cristma/diffraction/profiles.py
src/cristma/diffraction/reciprocal.py
src/cristma/diffraction/reflections.py
src/cristma/diffraction/structure_factor_models.py
src/cristma/diffraction/structure_factors.py
src/cristma/geometry/__init__.py
src/cristma/geometry/coordination.py
src/cristma/geometry/finder.py
src/cristma/geometry/neighbors.py
src/cristma/io/__init__.py
src/cristma/io/diagnostics.py
src/cristma/io/formats.py
src/cristma/io/registry.py
src/cristma/io/result.py
src/cristma/io/source.py
src/cristma/io/cif/__init__.py
src/cristma/io/cif/document.py
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src/cristma/io/cif/lexer.py
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src/cristma/io/cif/parser.py
src/cristma/io/cif/probe.py
src/cristma/io/cif/tokens.py
src/cristma/io/cif/writer.py
src/cristma/io/pdb/__init__.py
src/cristma/io/pdb/document.py
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src/cristma/io/pdb/mapper.py
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src/cristma/io/shelx/__init__.py
src/cristma/io/shelx/document.py
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src/cristma/io/shelx/records.py
src/cristma/io/shelx/sfac.py
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src/cristma/io/vasp/document.py
src/cristma/io/vasp/handler.py
src/cristma/io/vasp/mapper.py
src/cristma/io/vasp/numeric.py
src/cristma/io/vasp/outcar.py
src/cristma/io/vasp/poscar.py
src/cristma/io/vasp/probe.py
src/cristma/io/vasp/vasprun.py
src/cristma/io/vasp/xdatcar.py
src/cristma/io/xyz/__init__.py
src/cristma/io/xyz/document.py
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src/cristma/io/xyz/index.py
src/cristma/io/xyz/mapper.py
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src/cristma/reference_data/__init__.py
src/cristma/reference_data/chemical_reference.py
src/cristma/reference_data/elements.py
src/cristma/reference_data/facade.py
src/cristma/reference_data/radii.py
src/cristma/reference_data/shannon.py
src/cristma/reference_data/xray_f0.py
src/cristma/reference_data/resources/COVALENT_RADII_SOURCE.md
src/cristma/reference_data/resources/PYMATGEN_LICENSE.txt
src/cristma/reference_data/resources/QCELEMENTAL_LICENSE.txt
src/cristma/reference_data/resources/SHANNON_SOURCE.md
src/cristma/reference_data/resources/chemical_reference_v3.json
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src/cristma/reference_data/resources/covalent_radii.json
src/cristma/reference_data/resources/shannon_radii.json
src/cristma/reference_data/resources/crystallography/SOURCE.md
src/cristma/reference_data/resources/crystallography/SPGLIB_LICENSE.txt
src/cristma/reference_data/resources/crystallography/space_groups.json
src/cristma/reference_data/resources/crystallography/wyckoff_positions.json
src/cristma/reference_data/resources/xray/SOURCE.md
src/cristma/reference_data/resources/xray/XRAYLIB_LICENSE.txt
src/cristma/reference_data/resources/xray/xray_f0.json
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src/cristma/structure/__init__.py
src/cristma/structure/collection.py
src/cristma/structure/crystal.py
src/cristma/structure/identity.py
src/cristma/structure/molecular.py
src/cristma/structure/occupation.py
src/cristma/structure/position.py
src/cristma/structure/properties.py
src/cristma/structure/view.py
src/cristma/symmetry/__init__.py
src/cristma/symmetry/affine.py
src/cristma/symmetry/displacement.py
src/cristma/symmetry/orbit.py