LICENSE.rst
MANIFEST.in
README.rst
pyproject.toml
requirements/pip.txt
src/orochi/__init__.py
src/orochi.phase.egg-info/PKG-INFO
src/orochi.phase.egg-info/SOURCES.txt
src/orochi.phase.egg-info/dependency_links.txt
src/orochi.phase.egg-info/requires.txt
src/orochi.phase.egg-info/top_level.txt
src/orochi/phase/__init__.py
src/orochi/phase/phase.py
src/orochi/phase/version.py
src/orochi/phase/database/__init__.py
src/orochi/phase/database/atoms.py
src/orochi/phase/database/compton_cromer_mann_ana.py
src/orochi/phase/database/f0_waasmaier_kirfel.py
src/orochi/phase/database/f1f2_brennan_cowan.py
src/orochi/phase/database/symmetries.py
src/orochi/phase/database/info/compton.py
src/orochi/phase/database/info/element_data.db
src/orochi/phase/database/info/f0.py
src/orochi/phase/database/info/f1f2.py
src/orochi/phase/database/info/group_correlations.db
src/orochi/phase/database/info/symmetry_groups.db
src/orochi/phase/database/info/wyckoff.db
src/orochi/phase/io/files.py
src/orochi/phase/io/formats/cif.py
src/orochi/phase/io/formats/cube.py
src/orochi/phase/io/formats/xyz.py
src/orochi/phase/macro/analyze_cif.py
src/orochi/phase/macro/analysis/coordination.py
src/orochi/phase/macro/analysis/find_best_xyz.py
src/orochi/phase/macro/analysis/indices_to_be_adjusted.py
src/orochi/phase/macro/analysis/score.py
src/orochi/phase/macro/analysis/site_relation.py
src/orochi/phase/macro/constraint/adp.py
src/orochi/phase/macro/constraint/lattice.py
src/orochi/phase/macro/constraint/occ.py
src/orochi/phase/macro/constraint/particle_shape.py
src/orochi/phase/macro/constraint/symmetry.py
src/orochi/phase/macro/modify/atom_move.py
src/orochi/phase/macro/modify/stack.py
src/orochi/phase/macro/modify/supercell.py
src/orochi/phase/macro/modify/xyz.py
src/orochi/phase/macro/param_space/lattice.py
src/orochi/phase/macro/param_space/xyz.py
src/orochi/phase/macro/restraint/adp.py
src/orochi/phase/macro/restraint/lattice.py
src/orochi/phase/macro/restraint/occ.py
src/orochi/phase/macro/restraint/xyz.py
src/orochi/phase/macro/topology/bond_analysis.py
src/orochi/phase/macro/topology/topology_analysis.py
src/orochi/phase/params/default.py
src/orochi/phase/submodules/atom_info.py
src/orochi/phase/submodules/composition.py
src/orochi/phase/submodules/constraint.py
src/orochi/phase/submodules/evaluation.py
src/orochi/phase/submodules/explain.py
src/orochi/phase/submodules/lattice.py
src/orochi/phase/submodules/modify.py
src/orochi/phase/submodules/modulation.py
src/orochi/phase/submodules/properties.py
src/orochi/phase/submodules/symmetry.py
src/orochi/phase/submodules/shape/explicit.py
src/orochi/phase/submodules/shape/stack.py
src/orochi/phase/submodules/shape/standard.py
src/orochi/phase/submodules/shape/base/cylinder.py
src/orochi/phase/submodules/shape/base/polygon.py
src/orochi/phase/submodules/shape/base/spheroid.py
src/orochi/phase/submodules/shape/base/function/expansion.py
src/orochi/phase/submodules/shape/base/function/surface.py
src/orochi/phase/utils/viewer.py
tests/conftest.py
tests/test_version.py
tests/elements/atomic_numbers.py
tests/elements/bond_valence.py
tests/elements/empirical.py
tests/elements/ions.py
tests/elements/make_sql.py
tests/elements/mass.py
tests/elements/radius.py
tests/elements/valence.py
tests/scraping/get_spacegroup_hall_nums.py
tests/scraping/get_subgroup.py
tests/scraping/get_supergroups.py
tests/sql/convert_group_corr_sql.py
tests/sql/convert_sg_sql.py
tests/sql/convert_wyckoff_sqlite.py
tests/sql/hall_number_table.json
tests/sql/subgroup_table.json
tests/sql/database/hall_number.py
tests/sql/database/point_group.py
tests/sql/database/spacegroup.py
tests/sql/database/subgroups.py
tests/sql/database/supergroups.py
tests/sql/database/wyckoff.py