pyproject.toml
dev_scripts/gen_api_field_test.py
dev_scripts/generate_enums.py
dev_scripts/generate_identifier_exclude_list.py
emmet/core/__init__.py
emmet/core/_forbidden_alpha_id.py
emmet/core/_general_store.py
emmet/core/_messages.py
emmet/core/_user_settings.py
emmet/core/absorption.py
emmet/core/alloys.py
emmet/core/arrow.py
emmet/core/band_theory.py
emmet/core/base.py
emmet/core/bonds.py
emmet/core/charge_density.py
emmet/core/chemenv.py
emmet/core/corrected_entries.py
emmet/core/defect.py
emmet/core/disorder.py
emmet/core/dois.py
emmet/core/elasticity.py
emmet/core/elasticity_legacy.py
emmet/core/electrode.py
emmet/core/electronic_structure.py
emmet/core/eos.py
emmet/core/fermi.py
emmet/core/find_structure.py
emmet/core/formula_autocomplete.py
emmet/core/grain_boundary.py
emmet/core/lobster.py
emmet/core/magnetism.py
emmet/core/material.py
emmet/core/material_property.py
emmet/core/math.py
emmet/core/ml.py
emmet/core/molecules_jcesr.py
emmet/core/mpcomplete.py
emmet/core/mpid.py
emmet/core/mpid_ext.py
emmet/core/neb.py
emmet/core/optimade.py
emmet/core/oxidation_states.py
emmet/core/phonon.py
emmet/core/polar.py
emmet/core/provenance.py
emmet/core/py.typed
emmet/core/qc_tasks.py
emmet/core/robocrys.py
emmet/core/settings.py
emmet/core/similarity.py
emmet/core/spectrum.py
emmet/core/structure.py
emmet/core/structure_group.py
emmet/core/substrates.py
emmet/core/summary.py
emmet/core/surface_properties.py
emmet/core/symmetry.py
emmet/core/task.py
emmet/core/tasks.py
emmet/core/testing_utils.py
emmet/core/thermo.py
emmet/core/trajectory.py
emmet/core/utils.py
emmet/core/xas.py
emmet/core/xrd.py
emmet/core/connectors/__init__.py
emmet/core/connectors/analysis.py
emmet/core/connectors/icsd/__init__.py
emmet/core/connectors/icsd/client.py
emmet/core/connectors/icsd/enums.py
emmet/core/connectors/icsd/schemas.py
emmet/core/connectors/icsd/settings.py
emmet/core/featurization/__init__.py
emmet/core/featurization/featurizers.py
emmet/core/featurization/robocrys/__init__.py
emmet/core/featurization/robocrys/adapter.py
emmet/core/featurization/robocrys/util.py
emmet/core/featurization/robocrys/condense/__init__.py
emmet/core/featurization/robocrys/condense/component.py
emmet/core/featurization/robocrys/condense/condenser.py
emmet/core/featurization/robocrys/condense/fingerprint.py
emmet/core/featurization/robocrys/condense/formula_aliases.json.gz
emmet/core/featurization/robocrys/condense/mineral.py
emmet/core/featurization/robocrys/condense/mineral_db.json.gz
emmet/core/featurization/robocrys/condense/molecule.py
emmet/core/featurization/robocrys/condense/molecule_db.json.gz
emmet/core/featurization/robocrys/condense/site.py
emmet/core/featurization/robocrys/describe/__init__.py
emmet/core/featurization/robocrys/describe/adapter.py
emmet/core/featurization/robocrys/describe/describer.py
emmet/core/feff/__init__.py
emmet/core/feff/task.py
emmet/core/io/__init__.py
emmet/core/io/pymatgen.py
emmet/core/mobility/__init__.py
emmet/core/mobility/migrationgraph.py
emmet/core/molecules/__init__.py
emmet/core/molecules/atomic.py
emmet/core/molecules/bonds.py
emmet/core/molecules/electric.py
emmet/core/molecules/metal_binding.py
emmet/core/molecules/molecule_property.py
emmet/core/molecules/orbitals.py
emmet/core/molecules/redox.py
emmet/core/molecules/summary.py
emmet/core/molecules/thermo.py
emmet/core/molecules/trajectory.py
emmet/core/molecules/vibration.py
emmet/core/openff/__init__.py
emmet/core/openff/tasks.py
emmet/core/openmm/__init__.py
emmet/core/openmm/calculations.py
emmet/core/openmm/tasks.py
emmet/core/qchem/__init__.py
emmet/core/qchem/calculation.py
emmet/core/qchem/molecule.py
emmet/core/qchem/task.py
emmet/core/qchem/calc_types/__init__.py
emmet/core/qchem/calc_types/calc_types.py
emmet/core/qchem/calc_types/calc_types.yaml
emmet/core/qchem/calc_types/em_utils.py
emmet/core/qchem/calc_types/enums.py
emmet/core/qchem/calc_types/utils.py
emmet/core/synthesis/__init__.py
emmet/core/synthesis/core.py
emmet/core/synthesis/materials.py
emmet/core/synthesis/operations.py
emmet/core/synthesis/reaction.py
emmet/core/types/__init__.py
emmet/core/types/electronic_structure.py
emmet/core/types/enums.py
emmet/core/types/typing.py
emmet/core/types/pymatgen_types/__init__.py
emmet/core/types/pymatgen_types/alloy_adapter.py
emmet/core/types/pymatgen_types/bader.py
emmet/core/types/pymatgen_types/balanced_reaction_adapter.py
emmet/core/types/pymatgen_types/bandstructure_symm_line_adapter.py
emmet/core/types/pymatgen_types/compatibility_adapter.py
emmet/core/types/pymatgen_types/composition_adapter.py
emmet/core/types/pymatgen_types/computed_entries_adapter.py
emmet/core/types/pymatgen_types/defect_adapter.py
emmet/core/types/pymatgen_types/diffraction_pattern_adapter.py
emmet/core/types/pymatgen_types/dos_adapter.py
emmet/core/types/pymatgen_types/electrode_adapter.py
emmet/core/types/pymatgen_types/element_adapter.py
emmet/core/types/pymatgen_types/grain_boundary_adapter.py
emmet/core/types/pymatgen_types/ir_dielectric_tensor_adapter.py
emmet/core/types/pymatgen_types/kpoint_adapter.py
emmet/core/types/pymatgen_types/kpoints_adapter.py
emmet/core/types/pymatgen_types/lattice_adapter.py
emmet/core/types/pymatgen_types/mixing_scheme_adapter.py
emmet/core/types/pymatgen_types/outcar_adapter.py
emmet/core/types/pymatgen_types/phase_diagram_adapter.py
emmet/core/types/pymatgen_types/phonon_adapter.py
emmet/core/types/pymatgen_types/poscar_adapter.py
emmet/core/types/pymatgen_types/properties.py
emmet/core/types/pymatgen_types/sites_adapter.py
emmet/core/types/pymatgen_types/species_adapter.py
emmet/core/types/pymatgen_types/structure_adapter.py
emmet/core/types/pymatgen_types/structure_graph_adapter.py
emmet/core/types/pymatgen_types/structure_matcher_adapter.py
emmet/core/types/pymatgen_types/trajectory_adapter.py
emmet/core/types/pymatgen_types/xas_adapter.py
emmet/core/vasp/__init__.py
emmet/core/vasp/calculation.py
emmet/core/vasp/material.py
emmet/core/vasp/models.py
emmet/core/vasp/task_valid.py
emmet/core/vasp/utils.py
emmet/core/vasp/validation.py
emmet/core/vasp/validation_legacy.py
emmet/core/vasp/calc_types/__init__.py
emmet/core/vasp/calc_types/calc_types.yaml
emmet/core/vasp/calc_types/enums.py
emmet/core/vasp/calc_types/utils.py
emmet_core.egg-info/PKG-INFO
emmet_core.egg-info/SOURCES.txt
emmet_core.egg-info/dependency_links.txt
emmet_core.egg-info/requires.txt
emmet_core.egg-info/scm_file_list.json
emmet_core.egg-info/scm_version.json
emmet_core.egg-info/top_level.txt
requirements/deployment.txt
requirements/ubuntu-latest_py3.11.txt
requirements/ubuntu-latest_py3.11_extras.txt
requirements/ubuntu-latest_py3.12.txt
requirements/ubuntu-latest_py3.12_extras.txt
requirements/ubuntu-latest_py3.13.txt
requirements/ubuntu-latest_py3.13_extras.txt
requirements/ubuntu-latest_py3.14.txt
requirements/ubuntu-latest_py3.14_extras.txt
tests/__init__.py
tests/conftest.py
tests/conftest_qchem.py
tests/test_absorption.py
tests/test_arrow.py
tests/test_band_theory.py
tests/test_calculation.py
tests/test_chemenv.py
tests/test_defects.py
tests/test_elasticity.py
tests/test_electrodes.py
tests/test_electronic_structure.py
tests/test_lobster.py
tests/test_magnetism.py
tests/test_ml.py
tests/test_model_fields.py
tests/test_molecule_metadata.py
tests/test_mpid.py
tests/test_neb.py
tests/test_optimade.py
tests/test_oxidation_states.py
tests/test_phonon.py
tests/test_polar.py
tests/test_provenance.py
tests/test_qc_task.py
tests/test_robocrys.py
tests/test_settings.py
tests/test_similarity.py
tests/test_structure_group.py
tests/test_structure_metadata.py
tests/test_symmetry.py
tests/test_task.py
tests/test_thermo.py
tests/test_trajectory.py
tests/test_utils.py
tests/test_xas.py
tests/test_xrd.py
tests/featurization/__init__.py
tests/featurization/test_featurizers.py
tests/featurization/robocrys/__init__.py
tests/featurization/robocrys/conftest.py
tests/featurization/robocrys/test_adapter.py
tests/featurization/robocrys/test_util.py
tests/featurization/robocrys/condense/test_component.py
tests/featurization/robocrys/condense/test_fingerprint.py
tests/featurization/robocrys/condense/test_mineral.py
tests/featurization/robocrys/condense/test_molecule.py
tests/featurization/robocrys/condense/test_site.py
tests/featurization/robocrys/condense/test_structure.py
tests/featurization/robocrys/describe/test_description.py
tests/featurization/robocrys/describe/test_description_adapter.py
tests/io/__init__.py
tests/io/test_pymatgen.py
tests/mobility/test_migrationgraph.py
tests/molecules/__init__.py
tests/molecules/conftest.py
tests/molecules/test_atomic.py
tests/molecules/test_bonds.py
tests/molecules/test_electric.py
tests/molecules/test_metal_binding.py
tests/molecules/test_mol_thermo.py
tests/molecules/test_orbitals.py
tests/molecules/test_redox.py
tests/molecules/test_summary.py
tests/molecules/test_trajectory.py
tests/molecules/test_vibration.py
tests/openmm_md/__init__.py
tests/openmm_md/test_tasks.py
tests/qchem/__init__.py
tests/qchem/test_calc_types.py
tests/qchem/test_molecules.py
tests/qchem/test_qchem.py
tests/types/test_enums.py
tests/types/test_typing.py
tests/vasp/conftest.py
tests/vasp/test_calc_types.py
tests/vasp/test_materials.py
tests/vasp/test_utils.py
tests/vasp/test_vasp.py