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