README.md
setup.py
src/py/esse/__init__.py
src/py/esse/functionals.py
src/py/esse/settings.py
src/py/esse/utils.py
src/py/esse.egg-info/PKG-INFO
src/py/esse.egg-info/SOURCES.txt
src/py/esse.egg-info/dependency_links.txt
src/py/esse.egg-info/entry_points.txt
src/py/esse.egg-info/requires.txt
src/py/esse.egg-info/top_level.txt
src/py/esse/data/example/element.json
src/py/esse/data/example/job.json
src/py/esse/data/example/material.json
src/py/esse/data/example/method.json
src/py/esse/data/example/model.json
src/py/esse/data/example/new_model.json
src/py/esse/data/example/project.json
src/py/esse/data/example/property.json
src/py/esse/data/example/workflow.json
src/py/esse/data/example/core/reference.json
src/py/esse/data/example/core/abstract/2d_data.json
src/py/esse/data/example/core/abstract/2d_plot.json
src/py/esse/data/example/core/abstract/3d_grid.json
src/py/esse/data/example/core/abstract/3d_tensor.json
src/py/esse/data/example/core/abstract/3d_vector_basis.json
src/py/esse/data/example/core/abstract/point.json
src/py/esse/data/example/core/abstract/vector.json
src/py/esse/data/example/core/primitive/1d_data_series.json
src/py/esse/data/example/core/primitive/3d_lattice.json
src/py/esse/data/example/core/primitive/array_of_3_booleans.json
src/py/esse/data/example/core/primitive/array_of_3_numbers.json
src/py/esse/data/example/core/primitive/array_of_ids.json
src/py/esse/data/example/core/primitive/axis.json
src/py/esse/data/example/core/primitive/scalar.json
src/py/esse/data/example/core/reference/experiment.json
src/py/esse/data/example/core/reference/literature.json
src/py/esse/data/example/core/reference/modeling.json
src/py/esse/data/example/core/reference/experiment/condition.json
src/py/esse/data/example/core/reference/experiment/location.json
src/py/esse/data/example/core/reference/literature/name.json
src/py/esse/data/example/core/reference/literature/pages.json
src/py/esse/data/example/core/reference/modeling/exabyte.json
src/py/esse/data/example/core/reusable/atomic_vectors.json
src/py/esse/data/example/core/reusable/band_gap.json
src/py/esse/data/example/core/reusable/energy.json
src/py/esse/data/example/core/reusable/file_metadata.json
src/py/esse/data/example/core/reusable/object_storage_container_data.json
src/py/esse/data/example/job/compute.json
src/py/esse/data/example/methods_directory/local-orbital.json
src/py/esse/data/example/methods_directory/pseudopotential.json
src/py/esse/data/example/methods_directory/regression.json
src/py/esse/data/example/methods_directory/pseudopotential/dataset.json
src/py/esse/data/example/methods_directory/pseudopotential/file.json
src/py/esse/data/example/methods_directory/pseudopotential/precision.json
src/py/esse/data/example/methods_directory/pseudopotential/file/energy_cutoff.json
src/py/esse/data/example/methods_directory/pseudopotential/file/exchange_correlation.json
src/py/esse/data/example/methods_directory/pseudopotential/file/radii.json
src/py/esse/data/example/methods_directory/regression/data_per_feature.json
src/py/esse/data/example/methods_directory/regression/dataset.json
src/py/esse/data/example/methods_directory/regression/precision.json
src/py/esse/data/example/methods_directory/regression/precision_per_property.json
src/py/esse/data/example/methods_directory/regression/kernel_ridge/data_per_property.json
src/py/esse/data/example/methods_directory/regression/linear/data_per_property.json
src/py/esse/data/example/model/tags.json
src/py/esse/data/example/models_directory/pb/qm/semp.json
src/py/esse/data/example/models_directory/pb/qm/abin/configuration_interaction.json
src/py/esse/data/example/models_directory/pb/qm/dft/functional.json
src/py/esse/data/example/models_directory/pb/qm/dft/ksdft.json
src/py/esse/data/example/models_directory/pb/qm/dft/dispersion_models_directory/dft_d.json
src/py/esse/data/example/models_directory/pb/qm/dft/dispersion_models_directory/exchange_dipole.json
src/py/esse/data/example/models_directory/pb/qm/dft/dispersion_models_directory/many_body_dispersion.json
src/py/esse/data/example/models_directory/pb/qm/dft/dispersion_models_directory/non_local_correlation.json
src/py/esse/data/example/models_directory/pb/qm/dft/dispersion_models_directory/tkatchenko_scheffler.json
src/py/esse/data/example/models_directory/pb/qm/dft/functional/component.json
src/py/esse/data/example/models_directory/pb/qm/dft/functional/components_directory/local_functional_lda.json
src/py/esse/data/example/models_directory/pb/qm/dft/ksdft/lda.json
src/py/esse/data/example/models_directory/pb/qm/dft/ksdft/double_hybrid/functional.json
src/py/esse/data/example/models_directory/pb/qm/dft/ksdft/double_hybrid/range_separated_functional.json
src/py/esse/data/example/models_directory/pb/qm/dft/ksdft/gga/functional.json
src/py/esse/data/example/models_directory/pb/qm/dft/ksdft/hybrid/functional.json
src/py/esse/data/example/models_directory/pb/qm/dft/ksdft/hybrid/range_separated_functional.json
src/py/esse/data/example/models_directory/pb/qm/dft/ksdft/lda/functional.json
src/py/esse/data/example/models_directory/pb/qm/dft/ksdft/mgga/functional.json
src/py/esse/data/example/models_directory/st/det/ml.json
src/py/esse/data/example/properties_directory/electronic_configuration.json
src/py/esse/data/example/properties_directory/elemental/atomic_radius.json
src/py/esse/data/example/properties_directory/elemental/electronegativity.json
src/py/esse/data/example/properties_directory/elemental/ionization_potential.json
src/py/esse/data/example/properties_directory/non-scalar/band_gaps.json
src/py/esse/data/example/properties_directory/non-scalar/band_structure.json
src/py/esse/data/example/properties_directory/non-scalar/charge_density_profile.json
src/py/esse/data/example/properties_directory/non-scalar/density_of_states.json
src/py/esse/data/example/properties_directory/non-scalar/file_content.json
src/py/esse/data/example/properties_directory/non-scalar/phonon_dispersions.json
src/py/esse/data/example/properties_directory/non-scalar/phonon_dos.json
src/py/esse/data/example/properties_directory/non-scalar/potential_profile.json
src/py/esse/data/example/properties_directory/non-scalar/reaction_energy_profile.json
src/py/esse/data/example/properties_directory/non-scalar/stress_tensor.json
src/py/esse/data/example/properties_directory/non-scalar/total_energy_contributions.json
src/py/esse/data/example/properties_directory/non-scalar/vibrational_spectrum.json
src/py/esse/data/example/properties_directory/scalar/electron_affinity.json
src/py/esse/data/example/properties_directory/scalar/fermi_energy.json
src/py/esse/data/example/properties_directory/scalar/formation_energy.json
src/py/esse/data/example/properties_directory/scalar/ionization_potential.json
src/py/esse/data/example/properties_directory/scalar/pressure.json
src/py/esse/data/example/properties_directory/scalar/reaction_energy_barrier.json
src/py/esse/data/example/properties_directory/scalar/surface_energy.json
src/py/esse/data/example/properties_directory/scalar/total_energy.json
src/py/esse/data/example/properties_directory/scalar/total_force.json
src/py/esse/data/example/properties_directory/scalar/zero_point_energy.json
src/py/esse/data/example/properties_directory/structural/atomic_forces.json
src/py/esse/data/example/properties_directory/structural/basis.json
src/py/esse/data/example/properties_directory/structural/density.json
src/py/esse/data/example/properties_directory/structural/elemental_ratio.json
src/py/esse/data/example/properties_directory/structural/lattice.json
src/py/esse/data/example/properties_directory/structural/magnetic_moments.json
src/py/esse/data/example/properties_directory/structural/molecular_pattern.json
src/py/esse/data/example/properties_directory/structural/p-norm.json
src/py/esse/data/example/properties_directory/structural/symmetry.json
src/py/esse/data/example/properties_directory/structural/volume.json
src/py/esse/data/example/properties_directory/structural/basis/atomic_constraints.json
src/py/esse/data/example/properties_directory/structural/basis/atomic_coordinates.json
src/py/esse/data/example/properties_directory/structural/basis/atomic_elements.json
src/py/esse/data/example/properties_directory/structural/basis/bonds.json
src/py/esse/data/example/properties_directory/structural/lattice/lattice_bravais.json
src/py/esse/data/example/properties_directory/structural/lattice/lattice_vectors.json
src/py/esse/data/example/properties_directory/workflow/convergence/electronic.json
src/py/esse/data/example/properties_directory/workflow/convergence/ionic.json
src/py/esse/data/example/properties_directory/workflow/convergence/kpoint.json
src/py/esse/data/example/software/application.json
src/py/esse/data/example/software/executable.json
src/py/esse/data/example/software/flavor.json
src/py/esse/data/example/software/template.json
src/py/esse/data/example/software_directory/ml/exabyteml.json
src/py/esse/data/example/software_directory/ml/unit/execution/initialize.json
src/py/esse/data/example/software_directory/ml/unit/execution/score.json
src/py/esse/data/example/software_directory/ml/unit/execution/train.json
src/py/esse/data/example/software_directory/ml/unit/execution/evaluate/cross-validate.json
src/py/esse/data/example/software_directory/ml/unit/processing/data_transformation/manipulation.json
src/py/esse/data/example/software_directory/ml/unit/processing/data_transformation/scale_and_reduce.json
src/py/esse/data/example/software_directory/ml/unit/processing/feature_selection/filter_based.json
src/py/esse/data/example/software_directory/modeling/espresso.json
src/py/esse/data/example/software_directory/modeling/nwchem.json
src/py/esse/data/example/software_directory/modeling/vasp.json
src/py/esse/data/example/software_directory/modeling/espresso/arguments.json
src/py/esse/data/example/software_directory/modeling/unit/execution.json
src/py/esse/data/example/software_directory/scripting/jupyter-lab.json
src/py/esse/data/example/software_directory/scripting/python.json
src/py/esse/data/example/software_directory/scripting/shell.json
src/py/esse/data/example/software_directory/scripting/unit/execution.json
src/py/esse/data/example/system/_material.json
src/py/esse/data/example/system/_parent_job.json
src/py/esse/data/example/system/_project.json
src/py/esse/data/example/system/creator.json
src/py/esse/data/example/system/entity_reference.json
src/py/esse/data/example/system/file_source.json
src/py/esse/data/example/system/message.json
src/py/esse/data/example/system/owner.json
src/py/esse/data/example/workflow/new_subworkflow.json
src/py/esse/data/example/workflow/subworkflow.json
src/py/esse/data/example/workflow/unit.json
src/py/esse/data/example/workflow/unit/assignment.json
src/py/esse/data/example/workflow/unit/condition.json
src/py/esse/data/example/workflow/unit/execution.json
src/py/esse/data/example/workflow/unit/io.json
src/py/esse/data/example/workflow/unit/map.json
src/py/esse/data/example/workflow/unit/processing.json
src/py/esse/data/example/workflow/unit/reduce.json
src/py/esse/data/example/workflow/unit/input/_inputItemScope.json
src/py/esse/data/example/workflow/unit/io/api.json
src/py/esse/data/example/workflow/unit/io/db.json
src/py/esse/data/example/workflow/unit/io/object_storage.json
src/py/esse/data/example/workflow/unit/runtime/runtime_items.json
src/py/esse/data/manifest/dft_unit_functionals.yaml
src/py/esse/data/manifest/functional_lookup_table.yaml
src/py/esse/data/manifest/models.yaml
src/py/esse/data/manifest/properties.yaml
src/py/esse/data/schema/element.json
src/py/esse/data/schema/job.json
src/py/esse/data/schema/material.json
src/py/esse/data/schema/method.json
src/py/esse/data/schema/model.json
src/py/esse/data/schema/new_model.json
src/py/esse/data/schema/project.json
src/py/esse/data/schema/property.json
src/py/esse/data/schema/workflow.json
src/py/esse/data/schema/core/reference.json
src/py/esse/data/schema/core/abstract/2d_data.json
src/py/esse/data/schema/core/abstract/2d_plot.json
src/py/esse/data/schema/core/abstract/3d_grid.json
src/py/esse/data/schema/core/abstract/3d_tensor.json
src/py/esse/data/schema/core/abstract/3d_vector_basis.json
src/py/esse/data/schema/core/abstract/point.json
src/py/esse/data/schema/core/abstract/vector.json
src/py/esse/data/schema/core/primitive/1d_data_series.json
src/py/esse/data/schema/core/primitive/3d_lattice.json
src/py/esse/data/schema/core/primitive/array_of_3_booleans.json
src/py/esse/data/schema/core/primitive/array_of_3_numbers.json
src/py/esse/data/schema/core/primitive/array_of_ids.json
src/py/esse/data/schema/core/primitive/array_of_strings.json
src/py/esse/data/schema/core/primitive/axis.json
src/py/esse/data/schema/core/primitive/scalar.json
src/py/esse/data/schema/core/primitive/slugified_entry.json
src/py/esse/data/schema/core/primitive/slugified_entry_or_slug.json
src/py/esse/data/schema/core/reference/experiment.json
src/py/esse/data/schema/core/reference/literature.json
src/py/esse/data/schema/core/reference/modeling.json
src/py/esse/data/schema/core/reference/experiment/condition.json
src/py/esse/data/schema/core/reference/experiment/location.json
src/py/esse/data/schema/core/reference/literature/name.json
src/py/esse/data/schema/core/reference/literature/pages.json
src/py/esse/data/schema/core/reference/modeling/exabyte.json
src/py/esse/data/schema/core/reusable/atomic_scalars.json
src/py/esse/data/schema/core/reusable/atomic_strings.json
src/py/esse/data/schema/core/reusable/atomic_vectors.json
src/py/esse/data/schema/core/reusable/band_gap.json
src/py/esse/data/schema/core/reusable/energy.json
src/py/esse/data/schema/core/reusable/file_metadata.json
src/py/esse/data/schema/core/reusable/object_storage_container_data.json
src/py/esse/data/schema/definitions/units.json
src/py/esse/data/schema/job/compute.json
src/py/esse/data/schema/methods_directory/local-orbital.json
src/py/esse/data/schema/methods_directory/pseudopotential.json
src/py/esse/data/schema/methods_directory/regression.json
src/py/esse/data/schema/methods_directory/unknown.json
src/py/esse/data/schema/methods_directory/local_orbital/definitions/basis_sets.json
src/py/esse/data/schema/methods_directory/pseudopotential/dataset.json
src/py/esse/data/schema/methods_directory/pseudopotential/file.json
src/py/esse/data/schema/methods_directory/pseudopotential/precision.json
src/py/esse/data/schema/methods_directory/pseudopotential/file/energy_cutoff.json
src/py/esse/data/schema/methods_directory/pseudopotential/file/exchange_correlation.json
src/py/esse/data/schema/methods_directory/pseudopotential/file/radii.json
src/py/esse/data/schema/methods_directory/regression/data.json
src/py/esse/data/schema/methods_directory/regression/data_per_feature.json
src/py/esse/data/schema/methods_directory/regression/dataset.json
src/py/esse/data/schema/methods_directory/regression/precision.json
src/py/esse/data/schema/methods_directory/regression/precision_per_property.json
src/py/esse/data/schema/methods_directory/regression/kernel_ridge/data_per_property.json
src/py/esse/data/schema/methods_directory/regression/linear/data_per_property.json
src/py/esse/data/schema/model/augmentations.json
src/py/esse/data/schema/model/modifiers.json
src/py/esse/data/schema/model/tags.json
src/py/esse/data/schema/models_directory/definitions.json
src/py/esse/data/schema/models_directory/pb.json
src/py/esse/data/schema/models_directory/st.json
src/py/esse/data/schema/models_directory/unknown.json
src/py/esse/data/schema/models_directory/pb/qm.json
src/py/esse/data/schema/models_directory/pb/qm/abin.json
src/py/esse/data/schema/models_directory/pb/qm/definitions.json
src/py/esse/data/schema/models_directory/pb/qm/dft.json
src/py/esse/data/schema/models_directory/pb/qm/semp.json
src/py/esse/data/schema/models_directory/pb/qm/tags.json
src/py/esse/data/schema/models_directory/pb/qm/abin/configuration_interaction.json
src/py/esse/data/schema/models_directory/pb/qm/abin/definitions.json
src/py/esse/data/schema/models_directory/pb/qm/abin/modifiers.json
src/py/esse/data/schema/models_directory/pb/qm/abin/configuration_interaction/augmentations.json
src/py/esse/data/schema/models_directory/pb/qm/abin/configuration_interaction/definitions.json
src/py/esse/data/schema/models_directory/pb/qm/abin/configuration_interaction/modifiers.json
src/py/esse/data/schema/models_directory/pb/qm/abin/configuration_interaction/tags.json
src/py/esse/data/schema/models_directory/pb/qm/dft/dft_unit_functionals.json
src/py/esse/data/schema/models_directory/pb/qm/dft/dft_unit_functionals_proto.json
src/py/esse/data/schema/models_directory/pb/qm/dft/dispersion_model.json
src/py/esse/data/schema/models_directory/pb/qm/dft/functional.json
src/py/esse/data/schema/models_directory/pb/qm/dft/ksdft.json
src/py/esse/data/schema/models_directory/pb/qm/dft/dispersion_models_directory/dft_d.json
src/py/esse/data/schema/models_directory/pb/qm/dft/dispersion_models_directory/exchange_dipole.json
src/py/esse/data/schema/models_directory/pb/qm/dft/dispersion_models_directory/many_body_dispersion.json
src/py/esse/data/schema/models_directory/pb/qm/dft/dispersion_models_directory/non_local_correlation.json
src/py/esse/data/schema/models_directory/pb/qm/dft/dispersion_models_directory/tkatchenko_scheffler.json
src/py/esse/data/schema/models_directory/pb/qm/dft/dispersion_models_directory/generalized/intra_abin.json
src/py/esse/data/schema/models_directory/pb/qm/dft/dispersion_models_directory/generalized/intra_empirical.json
src/py/esse/data/schema/models_directory/pb/qm/dft/dispersion_models_directory/generalized/post_abin.json
src/py/esse/data/schema/models_directory/pb/qm/dft/dispersion_models_directory/generalized/post_empirical.json
src/py/esse/data/schema/models_directory/pb/qm/dft/functional/component.json
src/py/esse/data/schema/models_directory/pb/qm/dft/functional/definitions.json
src/py/esse/data/schema/models_directory/pb/qm/dft/functional/local_functional_components.json
src/py/esse/data/schema/models_directory/pb/qm/dft/functional/components_directory/dispersion_correction.json
src/py/esse/data/schema/models_directory/pb/qm/dft/functional/components_directory/exact_exchange.json
src/py/esse/data/schema/models_directory/pb/qm/dft/functional/components_directory/local_functional.json
src/py/esse/data/schema/models_directory/pb/qm/dft/functional/components_directory/local_functional_gga.json
src/py/esse/data/schema/models_directory/pb/qm/dft/functional/components_directory/local_functional_lda.json
src/py/esse/data/schema/models_directory/pb/qm/dft/functional/components_directory/local_functional_mgga.json
src/py/esse/data/schema/models_directory/pb/qm/dft/functional/components_directory/mp2_correlation.json
src/py/esse/data/schema/models_directory/pb/qm/dft/functional/components_directory/range_separated_exchange.json
src/py/esse/data/schema/models_directory/pb/qm/dft/ksdft/augmentations.json
src/py/esse/data/schema/models_directory/pb/qm/dft/ksdft/definitions.json
src/py/esse/data/schema/models_directory/pb/qm/dft/ksdft/double_hybrid.json
src/py/esse/data/schema/models_directory/pb/qm/dft/ksdft/gga.json
src/py/esse/data/schema/models_directory/pb/qm/dft/ksdft/hybrid.json
src/py/esse/data/schema/models_directory/pb/qm/dft/ksdft/lda.json
src/py/esse/data/schema/models_directory/pb/qm/dft/ksdft/mgga.json
src/py/esse/data/schema/models_directory/pb/qm/dft/ksdft/modifiers.json
src/py/esse/data/schema/models_directory/pb/qm/dft/ksdft/tags.json
src/py/esse/data/schema/models_directory/pb/qm/dft/ksdft/double_hybrid/augmentations.json
src/py/esse/data/schema/models_directory/pb/qm/dft/ksdft/double_hybrid/definitions.json
src/py/esse/data/schema/models_directory/pb/qm/dft/ksdft/double_hybrid/functional.json
src/py/esse/data/schema/models_directory/pb/qm/dft/ksdft/double_hybrid/modifiers.json
src/py/esse/data/schema/models_directory/pb/qm/dft/ksdft/double_hybrid/range_separated_functional.json
src/py/esse/data/schema/models_directory/pb/qm/dft/ksdft/double_hybrid/tags.json
src/py/esse/data/schema/models_directory/pb/qm/dft/ksdft/gga/augmentations.json
src/py/esse/data/schema/models_directory/pb/qm/dft/ksdft/gga/definitions.json
src/py/esse/data/schema/models_directory/pb/qm/dft/ksdft/gga/functional.json
src/py/esse/data/schema/models_directory/pb/qm/dft/ksdft/gga/modifiers.json
src/py/esse/data/schema/models_directory/pb/qm/dft/ksdft/gga/tags.json
src/py/esse/data/schema/models_directory/pb/qm/dft/ksdft/hybrid/augmentations.json
src/py/esse/data/schema/models_directory/pb/qm/dft/ksdft/hybrid/definitions.json
src/py/esse/data/schema/models_directory/pb/qm/dft/ksdft/hybrid/functional.json
src/py/esse/data/schema/models_directory/pb/qm/dft/ksdft/hybrid/modifiers.json
src/py/esse/data/schema/models_directory/pb/qm/dft/ksdft/hybrid/range_separated_functional.json
src/py/esse/data/schema/models_directory/pb/qm/dft/ksdft/hybrid/tags.json
src/py/esse/data/schema/models_directory/pb/qm/dft/ksdft/lda/augmentations.json
src/py/esse/data/schema/models_directory/pb/qm/dft/ksdft/lda/definitions.json
src/py/esse/data/schema/models_directory/pb/qm/dft/ksdft/lda/functional.json
src/py/esse/data/schema/models_directory/pb/qm/dft/ksdft/lda/modifiers.json
src/py/esse/data/schema/models_directory/pb/qm/dft/ksdft/lda/tags.json
src/py/esse/data/schema/models_directory/pb/qm/dft/ksdft/mgga/augmentations.json
src/py/esse/data/schema/models_directory/pb/qm/dft/ksdft/mgga/definitions.json
src/py/esse/data/schema/models_directory/pb/qm/dft/ksdft/mgga/functional.json
src/py/esse/data/schema/models_directory/pb/qm/dft/ksdft/mgga/modifiers.json
src/py/esse/data/schema/models_directory/pb/qm/dft/ksdft/mgga/tags.json
src/py/esse/data/schema/models_directory/pb/qm/semp/augmentations.json
src/py/esse/data/schema/models_directory/pb/qm/semp/definitions.json
src/py/esse/data/schema/models_directory/pb/qm/semp/modifiers.json
src/py/esse/data/schema/models_directory/pb/qm/semp/tags.json
src/py/esse/data/schema/models_directory/st/det.json
src/py/esse/data/schema/models_directory/st/det/ml.json
src/py/esse/data/schema/properties_directory/derived_properties.json
src/py/esse/data/schema/properties_directory/electronic_configuration.json
src/py/esse/data/schema/properties_directory/elemental/atomic_radius.json
src/py/esse/data/schema/properties_directory/elemental/electronegativity.json
src/py/esse/data/schema/properties_directory/elemental/ionization_potential.json
src/py/esse/data/schema/properties_directory/non-scalar/band_gaps.json
src/py/esse/data/schema/properties_directory/non-scalar/band_structure.json
src/py/esse/data/schema/properties_directory/non-scalar/charge_density_profile.json
src/py/esse/data/schema/properties_directory/non-scalar/density_of_states.json
src/py/esse/data/schema/properties_directory/non-scalar/file_content.json
src/py/esse/data/schema/properties_directory/non-scalar/phonon_dispersions.json
src/py/esse/data/schema/properties_directory/non-scalar/phonon_dos.json
src/py/esse/data/schema/properties_directory/non-scalar/potential_profile.json
src/py/esse/data/schema/properties_directory/non-scalar/reaction_energy_profile.json
src/py/esse/data/schema/properties_directory/non-scalar/stress_tensor.json
src/py/esse/data/schema/properties_directory/non-scalar/total_energy_contributions.json
src/py/esse/data/schema/properties_directory/non-scalar/vibrational_spectrum.json
src/py/esse/data/schema/properties_directory/scalar/electron_affinity.json
src/py/esse/data/schema/properties_directory/scalar/fermi_energy.json
src/py/esse/data/schema/properties_directory/scalar/formation_energy.json
src/py/esse/data/schema/properties_directory/scalar/ionization_potential.json
src/py/esse/data/schema/properties_directory/scalar/pressure.json
src/py/esse/data/schema/properties_directory/scalar/reaction_energy_barrier.json
src/py/esse/data/schema/properties_directory/scalar/surface_energy.json
src/py/esse/data/schema/properties_directory/scalar/total_energy.json
src/py/esse/data/schema/properties_directory/scalar/total_force.json
src/py/esse/data/schema/properties_directory/scalar/zero_point_energy.json
src/py/esse/data/schema/properties_directory/structural/atomic_forces.json
src/py/esse/data/schema/properties_directory/structural/basis.json
src/py/esse/data/schema/properties_directory/structural/density.json
src/py/esse/data/schema/properties_directory/structural/elemental_ratio.json
src/py/esse/data/schema/properties_directory/structural/lattice.json
src/py/esse/data/schema/properties_directory/structural/magnetic_moments.json
src/py/esse/data/schema/properties_directory/structural/molecular_pattern.json
src/py/esse/data/schema/properties_directory/structural/p-norm.json
src/py/esse/data/schema/properties_directory/structural/symmetry.json
src/py/esse/data/schema/properties_directory/structural/volume.json
src/py/esse/data/schema/properties_directory/structural/basis/atomic_constraints.json
src/py/esse/data/schema/properties_directory/structural/basis/atomic_coordinates.json
src/py/esse/data/schema/properties_directory/structural/basis/atomic_elements.json
src/py/esse/data/schema/properties_directory/structural/basis/bonds.json
src/py/esse/data/schema/properties_directory/structural/lattice/lattice_bravais.json
src/py/esse/data/schema/properties_directory/structural/lattice/lattice_vectors.json
src/py/esse/data/schema/properties_directory/structural/patterns/functional_group.json
src/py/esse/data/schema/properties_directory/structural/patterns/ring.json
src/py/esse/data/schema/properties_directory/structural/patterns/special_bond.json
src/py/esse/data/schema/properties_directory/workflow/convergence/electronic.json
src/py/esse/data/schema/properties_directory/workflow/convergence/ionic.json
src/py/esse/data/schema/properties_directory/workflow/convergence/kpoint.json
src/py/esse/data/schema/software/application.json
src/py/esse/data/schema/software/executable.json
src/py/esse/data/schema/software/flavor.json
src/py/esse/data/schema/software/template.json
src/py/esse/data/schema/software_directory/ml/exabyteml.json
src/py/esse/data/schema/software_directory/ml/unit/execution.json
src/py/esse/data/schema/software_directory/ml/unit/processing.json
src/py/esse/data/schema/software_directory/ml/unit/execution/initialize.json
src/py/esse/data/schema/software_directory/ml/unit/execution/score.json
src/py/esse/data/schema/software_directory/ml/unit/execution/train.json
src/py/esse/data/schema/software_directory/ml/unit/execution/evaluate/cross-validate.json
src/py/esse/data/schema/software_directory/ml/unit/processing/data_transformation.json
src/py/esse/data/schema/software_directory/ml/unit/processing/feature_selection.json
src/py/esse/data/schema/software_directory/ml/unit/processing/data_transformation/manipulation.json
src/py/esse/data/schema/software_directory/ml/unit/processing/data_transformation/scale_and_reduce.json
src/py/esse/data/schema/software_directory/ml/unit/processing/feature_selection/filter_based.json
src/py/esse/data/schema/software_directory/modeling/espresso.json
src/py/esse/data/schema/software_directory/modeling/nwchem.json
src/py/esse/data/schema/software_directory/modeling/vasp.json
src/py/esse/data/schema/software_directory/modeling/espresso/arguments.json
src/py/esse/data/schema/software_directory/modeling/unit/execution.json
src/py/esse/data/schema/software_directory/scripting/jupyter-lab.json
src/py/esse/data/schema/software_directory/scripting/python.json
src/py/esse/data/schema/software_directory/scripting/shell.json
src/py/esse/data/schema/software_directory/scripting/unit/execution.json
src/py/esse/data/schema/system/_material.json
src/py/esse/data/schema/system/_parent_job.json
src/py/esse/data/schema/system/_project.json
src/py/esse/data/schema/system/bankable.json
src/py/esse/data/schema/system/bankable_entity.json
src/py/esse/data/schema/system/creator.json
src/py/esse/data/schema/system/database_source.json
src/py/esse/data/schema/system/defaultable.json
src/py/esse/data/schema/system/entity.json
src/py/esse/data/schema/system/entity_reference.json
src/py/esse/data/schema/system/file_source.json
src/py/esse/data/schema/system/message.json
src/py/esse/data/schema/system/name.json
src/py/esse/data/schema/system/owner.json
src/py/esse/data/schema/system/soft_removable.json
src/py/esse/data/schema/system/tags.json
src/py/esse/data/schema/system/timestampable.json
src/py/esse/data/schema/workflow/new_subworkflow.json
src/py/esse/data/schema/workflow/subworkflow.json
src/py/esse/data/schema/workflow/unit.json
src/py/esse/data/schema/workflow/unit/assignment.json
src/py/esse/data/schema/workflow/unit/condition.json
src/py/esse/data/schema/workflow/unit/execution.json
src/py/esse/data/schema/workflow/unit/io.json
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src/py/esse/data/schema/workflow/unit/input/_input.json
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src/py/esse/data/schema/workflow/unit/input/_inputItemScope.json
src/py/esse/data/schema/workflow/unit/io/api.json
src/py/esse/data/schema/workflow/unit/io/db.json
src/py/esse/data/schema/workflow/unit/io/object_storage.json
src/py/esse/data/schema/workflow/unit/runtime/_runtime_item_full_object.json
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src/py/esse/data/schema/workflow/unit/runtime/runtime_item.json
src/py/esse/data/schema/workflow/unit/runtime/runtime_items.json
src/py/esse/tests/__init__.py
src/py/esse/tests/validate.py