mat3ra-esse 2025.4.22.post0__tar.gz → 2025.5.16.post0__tar.gz
This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
Potentially problematic release.
This version of mat3ra-esse might be problematic. Click here for more details.
- mat3ra_esse-2025.5.16.post0/.eslintrc.json +5 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/.husky/pre-commit +2 -2
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/.prettierrc +2 -1
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/PKG-INFO +1 -1
- mat3ra_esse-2025.5.16.post0/example/apse/materials/builders/slab/pymatgen/parameters.json +6 -0
- mat3ra_esse-2025.5.16.post0/example/material/builders/base/selector_parameters.json +3 -0
- mat3ra_esse-2025.5.16.post0/example/material/builders/single_material/two_dimensional/slab/selector_parameters.json +6 -0
- mat3ra_esse-2025.5.16.post0/example/material/reusable/repetitions.json +1 -0
- mat3ra_esse-2025.5.16.post0/example/material/reusable/slab/miller_indices.json +5 -0
- mat3ra_esse-2025.5.16.post0/example/material/reusable/slab/number_of_layers.json +1 -0
- mat3ra_esse-2025.5.16.post0/example/material/reusable/slab/termination.json +4 -0
- mat3ra_esse-2025.5.16.post0/example/material/reusable/slab/vacuum.json +1 -0
- mat3ra_esse-2025.5.16.post0/example/material/reusable/supercell_matrix_2d.json +10 -0
- mat3ra_esse-2025.5.16.post0/example/material/reusable/supercell_matrix_3d.json +5 -0
- mat3ra_esse-2025.5.16.post0/example/materials_category/single_material/two_dimensional/slab/configuration.json +25 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/package-lock.json +222 -7
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/package.json +9 -3
- mat3ra_esse-2025.5.16.post0/schema/apse/materials/builders/slab/pymatgen/parameters.json +33 -0
- mat3ra_esse-2025.5.16.post0/schema/core/abstract/coordinate_2d.json +11 -0
- mat3ra_esse-2025.5.16.post0/schema/material/builders/base/selector_parameters.json +15 -0
- mat3ra_esse-2025.5.16.post0/schema/material/builders/single_material/two_dimensional/slab/builder_parameters.json +12 -0
- mat3ra_esse-2025.5.16.post0/schema/material/builders/single_material/two_dimensional/slab/selector_parameters.json +12 -0
- mat3ra_esse-2025.5.16.post0/schema/material/reusable/repetitions.json +18 -0
- mat3ra_esse-2025.5.16.post0/schema/material/reusable/slab/enums.json +11 -0
- mat3ra_esse-2025.5.16.post0/schema/material/reusable/slab/miller_indices.json +17 -0
- mat3ra_esse-2025.5.16.post0/schema/material/reusable/slab/number_of_layers.json +9 -0
- mat3ra_esse-2025.5.16.post0/schema/material/reusable/slab/termination.json +23 -0
- mat3ra_esse-2025.5.16.post0/schema/material/reusable/slab/vacuum.json +9 -0
- mat3ra_esse-2025.5.16.post0/schema/material/reusable/supercell_matrix_2d.json +27 -0
- mat3ra_esse-2025.5.16.post0/schema/material/reusable/supercell_matrix_3d.json +34 -0
- mat3ra_esse-2025.5.16.post0/schema/materials_category/single_material/two_dimensional/slab/configuration.json +42 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/js/esse/JSONSchemasGenerator.ts +11 -1
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/js/esse/utils.ts +8 -2
- mat3ra_esse-2025.5.16.post0/src/py/mat3ra/esse/data/examples.py +2 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/data/schemas.py +1 -1
- mat3ra_esse-2025.5.16.post0/src/py/mat3ra/esse/models/apse/materials/builders/slab/pymatgen/parameters.py +28 -0
- mat3ra_esse-2025.5.16.post0/src/py/mat3ra/esse/models/core/abstract/coordinate_2d.py +13 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/core/reusable/energy.py +2 -2
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/element.py +6 -6
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/material/__init__.py +12 -12
- mat3ra_esse-2025.5.16.post0/src/py/mat3ra/esse/models/material/builders/base/selector_parameters.py +16 -0
- mat3ra_esse-2025.5.16.post0/src/py/mat3ra/esse/models/material/builders/single_material/two_dimensional/slab/builder_parameters.py +28 -0
- mat3ra_esse-2025.5.16.post0/src/py/mat3ra/esse/models/material/builders/single_material/two_dimensional/slab/selector_parameters.py +27 -0
- mat3ra_esse-2025.5.16.post0/src/py/mat3ra/esse/models/material/reusable/repetitions.py +25 -0
- mat3ra_esse-2025.5.16.post0/src/py/mat3ra/esse/models/material/reusable/slab/enums.py +13 -0
- mat3ra_esse-2025.5.16.post0/src/py/mat3ra/esse/models/material/reusable/slab/miller_indices.py +16 -0
- mat3ra_esse-2025.5.16.post0/src/py/mat3ra/esse/models/material/reusable/slab/number_of_layers.py +16 -0
- mat3ra_esse-2025.5.16.post0/src/py/mat3ra/esse/models/material/reusable/slab/termination.py +18 -0
- mat3ra_esse-2025.5.16.post0/src/py/mat3ra/esse/models/material/reusable/slab/vacuum.py +16 -0
- mat3ra_esse-2025.5.16.post0/src/py/mat3ra/esse/models/material/reusable/supercell_matrix_2d.py +25 -0
- mat3ra_esse-2025.5.16.post0/src/py/mat3ra/esse/models/material/reusable/supercell_matrix_3d.py +27 -0
- mat3ra_esse-2025.5.16.post0/src/py/mat3ra/esse/models/materials_category/single_material/two_dimensional/slab/configuration.py +445 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/properties_directory/derived_properties.py +13 -13
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/properties_directory/non_scalar/density_of_states.py +2 -2
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/properties_directory/non_scalar/phonon_dispersions.py +2 -2
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/properties_directory/non_scalar/phonon_dos.py +2 -2
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/properties_directory/non_scalar/total_energy_contributions.py +50 -50
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/properties_directory/non_scalar/vibrational_spectrum.py +2 -2
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/properties_directory/scalar/electron_affinity.py +2 -2
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/properties_directory/scalar/fermi_energy.py +2 -2
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/properties_directory/scalar/formation_energy.py +2 -2
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/properties_directory/scalar/ionization_potential.py +2 -2
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/properties_directory/scalar/reaction_energy_barrier.py +2 -2
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/properties_directory/scalar/surface_energy.py +2 -2
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/properties_directory/scalar/total_energy.py +2 -2
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/properties_directory/scalar/valence_band_offset.py +2 -2
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/properties_directory/scalar/zero_point_energy.py +2 -2
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/properties_directory/structural/molecular_pattern.py +4 -4
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/properties_directory/workflow/convergence/ionic.py +2 -2
- mat3ra_esse-2025.5.16.post0/src/py/mat3ra/esse/models/system/__init__.py +3 -0
- mat3ra_esse-2025.5.16.post0/src/py/mat3ra/esse/models/third_party/db/nist_jarvis/2024_3.13/__init__.py +3 -0
- mat3ra_esse-2025.5.16.post0/src/py/mat3ra/esse/models/third_party/file/applications/espresso/7.2/__init__.py +3 -0
- mat3ra_esse-2025.5.16.post0/src/py/mat3ra/esse/models/third_party/file/applications/espresso/7.2/pw.x/__init__.py +3 -0
- mat3ra_esse-2025.5.16.post0/src/py/mat3ra/esse/models/workflow/unit/input/__init__.py +3 -0
- mat3ra_esse-2025.5.16.post0/src/py/mat3ra/esse/models/workflow/unit/runtime/__init__.py +3 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra_esse.egg-info/PKG-INFO +1 -1
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra_esse.egg-info/SOURCES.txt +45 -0
- mat3ra_esse-2025.4.22.post0/.eslintrc.json +0 -11
- mat3ra_esse-2025.4.22.post0/src/py/mat3ra/esse/data/examples.py +0 -2
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/.babelrc +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/.github/workflows/cicd.yml +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/.gitignore +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/.mocharc.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/.pre-commit-config.yaml +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/LICENSE.md +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/README.md +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/build_schemas.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/build_schemas.ts +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/compile_ts.ts +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/docs/README.md +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/example/apse/db/nist_jarvis/2024.3.13/db_entry.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/example/apse/file/applications/espresso/7.2/pw.x.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/example/core/abstract/2d_data.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/example/core/abstract/2d_plot.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/example/core/abstract/3d_grid.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/example/core/abstract/coordinate_3d.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/example/core/abstract/matrix_3x3.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/example/core/abstract/vector_3d.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/example/core/abstract/vector_boolean_3d.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/example/core/primitive/1d_data_series.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/example/core/primitive/array_of_3_booleans.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/example/core/primitive/array_of_3_numbers.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/example/core/primitive/array_of_ids.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/example/core/primitive/axis.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/example/core/primitive/scalar.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/example/core/primitive/string.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/example/core/reference/experiment/condition.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/example/core/reference/experiment/location.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/example/core/reference/experiment.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/example/core/reference/literature/name.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/example/core/reference/literature/pages.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/example/core/reference/literature.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/example/core/reference/modeling/exabyte.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/example/core/reference/modeling.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/example/core/reference.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/example/core/reusable/atomic_vectors.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/example/core/reusable/band_gap.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/example/core/reusable/energy.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/example/core/reusable/file_metadata.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/example/core/reusable/object_storage_container_data.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/example/element.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/example/job/compute.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/example/job.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/example/material.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/example/method/categorized_method.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/example/method/method_parameters.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/example/method.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/example/methods_directory/legacy/localorbital.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/example/methods_directory/legacy/pseudopotential.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/example/methods_directory/legacy/regression.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/example/methods_directory/legacy/unknown.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/example/methods_directory/mathematical/cg.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/example/methods_directory/mathematical/regression.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/example/methods_directory/physical/ao/dunning.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/example/methods_directory/physical/psp/file.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/example/methods_directory/physical/psp.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/example/methods_directory/physical/pw.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/example/methods_directory/physical/smearing.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/example/methods_directory/physical/tetrahedron.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/example/model/categorized_model.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/example/model/model_parameters.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/example/model.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/example/models_category/pb/qm/abin/gw.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/example/models_category/pb/qm/dft/ksdft.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/example/models_category/pb/qm/semp.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/example/models_directory/gga.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/example/models_directory/gw.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/example/models_directory/hybrid.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/example/models_directory/lda.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/example/models_directory/legacy/dft.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/example/models_directory/legacy/ml.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/example/models_directory/legacy/unknown.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/example/models_directory/re.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/example/project.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/example/properties_directory/electronic_configuration.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/example/properties_directory/elemental/atomic_radius.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/example/properties_directory/elemental/electronegativity.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/example/properties_directory/elemental/ionization_potential.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/example/properties_directory/non-scalar/band_gaps.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/example/properties_directory/non-scalar/band_structure.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/example/properties_directory/non-scalar/charge_density_profile.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/example/properties_directory/non-scalar/density_of_states.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/example/properties_directory/non-scalar/dielectric_tensor.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/example/properties_directory/non-scalar/file_content.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/example/properties_directory/non-scalar/hubbard_u.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/example/properties_directory/non-scalar/hubbard_v.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/example/properties_directory/non-scalar/hubbard_v_nn.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/example/properties_directory/non-scalar/phonon_dispersions.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/example/properties_directory/non-scalar/phonon_dos.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/example/properties_directory/non-scalar/potential_profile.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/example/properties_directory/non-scalar/reaction_energy_profile.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/example/properties_directory/non-scalar/stress_tensor.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/example/properties_directory/non-scalar/total_energy_contributions.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/example/properties_directory/non-scalar/vibrational_spectrum.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/example/properties_directory/scalar/electron_affinity.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/example/properties_directory/scalar/fermi_energy.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/example/properties_directory/scalar/formation_energy.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/example/properties_directory/scalar/ionization_potential.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/example/properties_directory/scalar/pressure.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/example/properties_directory/scalar/reaction_energy_barrier.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/example/properties_directory/scalar/surface_energy.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/example/properties_directory/scalar/total_energy.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/example/properties_directory/scalar/total_force.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/example/properties_directory/scalar/valence_band_offset.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/example/properties_directory/scalar/zero_point_energy.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/example/properties_directory/structural/atomic_forces.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/example/properties_directory/structural/basis/atomic_constraints_property.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/example/properties_directory/structural/basis/atomic_coordinate.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/example/properties_directory/structural/basis/atomic_coordinates.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/example/properties_directory/structural/basis/atomic_element.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/example/properties_directory/structural/basis/atomic_elements.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/example/properties_directory/structural/basis/atomic_label.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/example/properties_directory/structural/basis/atomic_labels.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/example/properties_directory/structural/basis/bonds.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/example/properties_directory/structural/basis.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/example/properties_directory/structural/density.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/example/properties_directory/structural/elemental_ratio.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/example/properties_directory/structural/inchi.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/example/properties_directory/structural/inchi_key.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/example/properties_directory/structural/lattice/vectors.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/example/properties_directory/structural/lattice.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/example/properties_directory/structural/magnetic_moments.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/example/properties_directory/structural/molecular_pattern.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/example/properties_directory/structural/p-norm.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/example/properties_directory/structural/symmetry.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/example/properties_directory/structural/volume.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/example/properties_directory/workflow/convergence/electronic.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/example/properties_directory/workflow/convergence/ionic.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/example/properties_directory/workflow/convergence/kpoint.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/example/property/base.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/example/software/application.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/example/software/executable.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/example/software/flavor.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/example/software/template.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/example/software_directory/ml/exabyteml.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/example/software_directory/ml/unit/execution/evaluate/cross-validate.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/example/software_directory/ml/unit/execution/initialize.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/example/software_directory/ml/unit/execution/score.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/example/software_directory/ml/unit/execution/train.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/example/software_directory/ml/unit/processing/data_transformation/manipulation.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/example/software_directory/ml/unit/processing/data_transformation/scale_and_reduce.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/example/software_directory/ml/unit/processing/feature_selection/filter_based.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/example/software_directory/modeling/espresso/arguments.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/example/software_directory/modeling/espresso.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/example/software_directory/modeling/nwchem.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/example/software_directory/modeling/unit/execution.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/example/software_directory/modeling/vasp.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/example/software_directory/scripting/jupyter-lab.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/example/software_directory/scripting/python.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/example/software_directory/scripting/shell.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/example/software_directory/scripting/unit/execution.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/example/system/_material.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/example/system/_parent_job.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/example/system/_project.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/example/system/consistency_check.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/example/system/creator.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/example/system/entity_reference.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/example/system/file_source.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/example/system/iframe_message.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/example/system/message.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/example/system/owner.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/example/workflow/subworkflow.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/example/workflow/unit/assignment.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/example/workflow/unit/condition.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/example/workflow/unit/execution.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/example/workflow/unit/input/_inputItemScope.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/example/workflow/unit/io/api.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/example/workflow/unit/io/db.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/example/workflow/unit/io/object_storage.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/example/workflow/unit/io.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/example/workflow/unit/map.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/example/workflow/unit/processing.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/example/workflow/unit/reduce.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/example/workflow/unit/runtime/runtime_items.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/example/workflow.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/manifest/dft_unit_functionals.yaml +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/manifest/functional_lookup_table.yaml +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/manifest/models.yaml +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/manifest/properties.yaml +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/npmignore +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/pyproject.toml +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/apse/db/nist_jarvis/2024.3.13/atoms.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/apse/db/nist_jarvis/2024.3.13/db_entry.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/apse/file/applications/espresso/7.2/pw.x/atomic_positions.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/apse/file/applications/espresso/7.2/pw.x/atomic_species.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/apse/file/applications/espresso/7.2/pw.x/cell.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/apse/file/applications/espresso/7.2/pw.x/cell_parameters.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/apse/file/applications/espresso/7.2/pw.x/control.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/apse/file/applications/espresso/7.2/pw.x/electrons.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/apse/file/applications/espresso/7.2/pw.x/hubbard.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/apse/file/applications/espresso/7.2/pw.x/ions.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/apse/file/applications/espresso/7.2/pw.x/k_points.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/apse/file/applications/espresso/7.2/pw.x/system.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/apse/file/applications/espresso/7.2/pw.x.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/core/abstract/2d_data.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/core/abstract/2d_plot.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/core/abstract/3d_grid.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/core/abstract/coordinate_3d.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/core/abstract/matrix_3x3.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/core/abstract/vector_3d.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/core/abstract/vector_boolean_3d.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/core/primitive/1d_data_series.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/core/primitive/array_of_3_booleans.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/core/primitive/array_of_3_numbers.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/core/primitive/array_of_ids.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/core/primitive/array_of_strings.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/core/primitive/axis.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/core/primitive/group_info.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/core/primitive/integer_one_or_zero.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/core/primitive/integer_positive_single_digit.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/core/primitive/linked_list/base_node.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/core/primitive/linked_list/named_node.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/core/primitive/linked_list/named_node_in_group.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/core/primitive/linked_list/node_with_type.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/core/primitive/linked_list.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/core/primitive/object_with_id.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/core/primitive/object_with_id_and_value.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/core/primitive/scalar.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/core/primitive/slugified_entry.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/core/primitive/slugified_entry_or_slug.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/core/primitive/string.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/core/reference/exabyte.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/core/reference/experiment/condition.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/core/reference/experiment/location.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/core/reference/experiment.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/core/reference/literature/name.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/core/reference/literature/pages.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/core/reference/literature.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/core/reference/modeling/exabyte.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/core/reference/modeling.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/core/reference.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/core/reusable/atomic_data/per_orbital.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/core/reusable/atomic_data/per_orbital_pair.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/core/reusable/atomic_data/value_number.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/core/reusable/atomic_data/value_string.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/core/reusable/atomic_data_per_orbital_numeric.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/core/reusable/atomic_data_per_orbital_pair_numeric.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/core/reusable/atomic_orbital.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/core/reusable/atomic_scalars.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/core/reusable/atomic_string.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/core/reusable/atomic_vector.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/core/reusable/atomic_vectors.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/core/reusable/band_gap.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/core/reusable/categories.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/core/reusable/category_path.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/core/reusable/dielectric_tensor_component.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/core/reusable/energy.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/core/reusable/energy_accuracy_levels.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/core/reusable/file_metadata.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/core/reusable/frequency_function_matrix.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/core/reusable/kpoint.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/core/reusable/object_storage_container_data.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/core/reusable/scalar_with_accuracy_levels.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/definitions/constants.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/definitions/units.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/element.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/in_memory_entity/base.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/in_memory_entity/defaultable.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/in_memory_entity/has_consistency_check_has_metadata_named_defaultable.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/in_memory_entity/named.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/in_memory_entity/named_defaultable.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/in_memory_entity/named_defaultable_has_metadata.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/in_memory_entity/named_defaultable_runtime_items.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/job/base.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/job/compute.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/job.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/material/consistency_check.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/material/conventional.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/material.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/method/categorized_method.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/method/method_parameters.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/method/unit_method.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/method.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/methods_category/mathematical/diff/enum_options.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/methods_category/mathematical/diff/enum_options.yml +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/methods_category/mathematical/diff/fd.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/methods_category/mathematical/diff.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/methods_category/mathematical/discr/enum_options.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/methods_category/mathematical/discr/enum_options.yml +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/methods_category/mathematical/discr/mesh/enum_options.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/methods_category/mathematical/discr/mesh/enum_options.yml +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/methods_category/mathematical/discr/mesh/hybrid.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/methods_category/mathematical/discr/mesh/nstruct.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/methods_category/mathematical/discr/mesh/struct/cartesian.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/methods_category/mathematical/discr/mesh/struct/enum_options.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/methods_category/mathematical/discr/mesh/struct/enum_options.yml +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/methods_category/mathematical/discr/mesh/struct.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/methods_category/mathematical/discr/mesh.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/methods_category/mathematical/discr.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/methods_category/mathematical/enum_options.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/methods_category/mathematical/enum_options.yml +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/methods_category/mathematical/fapprx/basisexp.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/methods_category/mathematical/fapprx/enum_options.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/methods_category/mathematical/fapprx/enum_options.yml +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/methods_category/mathematical/fapprx/ipol/enum_options.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/methods_category/mathematical/fapprx/ipol/enum_options.yml +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/methods_category/mathematical/fapprx/ipol/lin.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/methods_category/mathematical/fapprx/ipol/poly.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/methods_category/mathematical/fapprx/ipol/spline.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/methods_category/mathematical/fapprx/ipol.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/methods_category/mathematical/fapprx.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/methods_category/mathematical/intgr/analytic/enum_options.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/methods_category/mathematical/intgr/analytic/enum_options.yml +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/methods_category/mathematical/intgr/analytic/volume.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/methods_category/mathematical/intgr/analytic.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/methods_category/mathematical/intgr/diffeq/enum_options.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/methods_category/mathematical/intgr/diffeq/enum_options.yml +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/methods_category/mathematical/intgr/diffeq/order1.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/methods_category/mathematical/intgr/diffeq/order2.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/methods_category/mathematical/intgr/diffeq.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/methods_category/mathematical/intgr/enum_options.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/methods_category/mathematical/intgr/enum_options.yml +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/methods_category/mathematical/intgr/numquad/enum_options.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/methods_category/mathematical/intgr/numquad/enum_options.yml +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/methods_category/mathematical/intgr/numquad/gauss.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/methods_category/mathematical/intgr/numquad/newcot.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/methods_category/mathematical/intgr/numquad.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/methods_category/mathematical/intgr/transf/enum_options.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/methods_category/mathematical/intgr/transf/enum_options.yml +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/methods_category/mathematical/intgr/transf/fourier.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/methods_category/mathematical/intgr/transf.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/methods_category/mathematical/intgr.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/methods_category/mathematical/linalg/dcomp.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/methods_category/mathematical/linalg/diag/davidson.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/methods_category/mathematical/linalg/diag/enum_options.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/methods_category/mathematical/linalg/diag/enum_options.yml +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/methods_category/mathematical/linalg/diag.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/methods_category/mathematical/linalg/enum_options.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/methods_category/mathematical/linalg/enum_options.yml +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/methods_category/mathematical/linalg/lintra.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/methods_category/mathematical/linalg/matf.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/methods_category/mathematical/linalg.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/methods_category/mathematical/opt/diff/bracket.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/methods_category/mathematical/opt/diff/enum_options.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/methods_category/mathematical/opt/diff/enum_options.yml +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/methods_category/mathematical/opt/diff/local.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/methods_category/mathematical/opt/diff/order1.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/methods_category/mathematical/opt/diff/order2.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/methods_category/mathematical/opt/diff/ordern/cg.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/methods_category/mathematical/opt/diff/ordern/enum_options.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/methods_category/mathematical/opt/diff/ordern/enum_options.yml +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/methods_category/mathematical/opt/diff/ordern.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/methods_category/mathematical/opt/diff.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/methods_category/mathematical/opt/enum_options.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/methods_category/mathematical/opt/enum_options.yml +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/methods_category/mathematical/opt/ndiff/direct.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/methods_category/mathematical/opt/ndiff/enum_options.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/methods_category/mathematical/opt/ndiff/enum_options.yml +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/methods_category/mathematical/opt/ndiff/pop.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/methods_category/mathematical/opt/ndiff/stoch.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/methods_category/mathematical/opt/ndiff.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/methods_category/mathematical/opt/root/bracket.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/methods_category/mathematical/opt/root/enum_options.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/methods_category/mathematical/opt/root/enum_options.yml +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/methods_category/mathematical/opt/root/iter.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/methods_category/mathematical/opt/root.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/methods_category/mathematical/opt.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/methods_category/mathematical/regression.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/methods_category/physical/enum_options.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/methods_category/physical/enum_options.yml +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/methods_category/physical/qm/enum_options.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/methods_category/physical/qm/enum_options.yml +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/methods_category/physical/qm/wf/ao/dunning.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/methods_category/physical/qm/wf/ao/other.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/methods_category/physical/qm/wf/ao/pople.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/methods_category/physical/qm/wf/ao.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/methods_category/physical/qm/wf/enum_options.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/methods_category/physical/qm/wf/enum_options.yml +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/methods_category/physical/qm/wf/psp.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/methods_category/physical/qm/wf/pw.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/methods_category/physical/qm/wf/smearing.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/methods_category/physical/qm/wf/tetrahedron.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/methods_category/physical/qm/wf.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/methods_category/physical/qm.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/methods_directory/legacy/localorbital.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/methods_directory/legacy/pseudopotential.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/methods_directory/legacy/regression.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/methods_directory/legacy/unknown.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/methods_directory/mathematical/cg.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/methods_directory/mathematical/davidson.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/methods_directory/mathematical/regression/data.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/methods_directory/mathematical/regression/dataset.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/methods_directory/mathematical/regression/kernel_ridge/data_per_property.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/methods_directory/mathematical/regression/linear/data_per_property.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/methods_directory/mathematical/regression/per_feature_item.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/methods_directory/mathematical/regression/precision.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/methods_directory/mathematical/regression/precision_per_property.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/methods_directory/mathematical/regression.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/methods_directory/physical/ao/dunning.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/methods_directory/physical/ao/enum_options.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/methods_directory/physical/ao/enum_options.yml +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/methods_directory/physical/ao/other.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/methods_directory/physical/ao/pople.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/methods_directory/physical/psp/file.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/methods_directory/physical/psp/file_data_item.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/methods_directory/physical/psp.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/methods_directory/physical/pw.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/methods_directory/physical/smearing.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/methods_directory/physical/tetrahedron.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/model/categorized_model.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/model/mixins/dft/double_hybrid_functional.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/model/mixins/dft/enum_options.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/model/mixins/dft/enum_options.yml +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/model/mixins/dft/gga_functional.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/model/mixins/dft/hybrid_functional.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/model/mixins/dft/lda_functional.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/model/mixins/dft/mgga_functional.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/model/mixins/dispersion_correction.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/model/mixins/enum_options.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/model/mixins/enum_options.yml +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/model/mixins/hubbard.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/model/mixins/spin_orbit_coupling.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/model/mixins/spin_polarization.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/model/model_parameters.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/model/model_without_method.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/model.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/models_category/enum_options.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/models_category/enum_options.yml +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/models_category/pb/enum_options.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/models_category/pb/enum_options.yml +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/models_category/pb/qm/abin/enum_options.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/models_category/pb/qm/abin/enum_options.yml +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/models_category/pb/qm/abin/gw.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/models_category/pb/qm/abin.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/models_category/pb/qm/dft/enum_options.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/models_category/pb/qm/dft/enum_options.yml +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/models_category/pb/qm/dft/ksdft/double_hybrid.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/models_category/pb/qm/dft/ksdft/enum_options.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/models_category/pb/qm/dft/ksdft/enum_options.yml +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/models_category/pb/qm/dft/ksdft/gga.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/models_category/pb/qm/dft/ksdft/hybrid.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/models_category/pb/qm/dft/ksdft/lda.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/models_category/pb/qm/dft/ksdft/mgga.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/models_category/pb/qm/dft/ksdft.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/models_category/pb/qm/dft.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/models_category/pb/qm/enum_options.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/models_category/pb/qm/enum_options.yml +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/models_category/pb/qm/semp.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/models_category/pb/qm.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/models_category/pb.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/models_category/st/det/enum_options.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/models_category/st/det/enum_options.yml +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/models_category/st/det/ml/enum_options.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/models_category/st/det/ml/enum_options.yml +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/models_category/st/det/ml/re.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/models_category/st/det/ml.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/models_category/st/det.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/models_category/st/enum_options.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/models_category/st/enum_options.yml +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/models_category/st.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/models_directory/double_hybrid.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/models_directory/gga.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/models_directory/gw.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/models_directory/hybrid.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/models_directory/lda.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/models_directory/legacy/dft.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/models_directory/legacy/ml.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/models_directory/legacy/unknown.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/models_directory/mgga.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/models_directory/re.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/project.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/properties_directory/derived_properties.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/properties_directory/electronic_configuration.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/properties_directory/elemental/atomic_radius.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/properties_directory/elemental/electronegativity.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/properties_directory/elemental/ionization_potential.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/properties_directory/non-scalar/average_potential_profile.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/properties_directory/non-scalar/band_gaps.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/properties_directory/non-scalar/band_structure.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/properties_directory/non-scalar/charge_density_profile.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/properties_directory/non-scalar/density_of_states.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/properties_directory/non-scalar/dielectric_tensor.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/properties_directory/non-scalar/file_content.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/properties_directory/non-scalar/hubbard_u.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/properties_directory/non-scalar/hubbard_v.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/properties_directory/non-scalar/hubbard_v_nn.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/properties_directory/non-scalar/phonon_dispersions.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/properties_directory/non-scalar/phonon_dos.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/properties_directory/non-scalar/potential_profile.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/properties_directory/non-scalar/reaction_energy_profile.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/properties_directory/non-scalar/stress_tensor.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/properties_directory/non-scalar/total_energy_contributions.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/properties_directory/non-scalar/vibrational_spectrum.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/properties_directory/scalar/electron_affinity.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/properties_directory/scalar/fermi_energy.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/properties_directory/scalar/formation_energy.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/properties_directory/scalar/ionization_potential.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/properties_directory/scalar/pressure.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/properties_directory/scalar/reaction_energy_barrier.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/properties_directory/scalar/surface_energy.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/properties_directory/scalar/total_energy.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/properties_directory/scalar/total_force.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/properties_directory/scalar/valence_band_offset.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/properties_directory/scalar/zero_point_energy.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/properties_directory/structural/atomic_forces.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/properties_directory/structural/basis/atomic_constraint.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/properties_directory/structural/basis/atomic_constraints.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/properties_directory/structural/basis/atomic_constraints_property.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/properties_directory/structural/basis/atomic_coordinate.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/properties_directory/structural/basis/atomic_coordinates.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/properties_directory/structural/basis/atomic_element.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/properties_directory/structural/basis/atomic_elements.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/properties_directory/structural/basis/atomic_label.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/properties_directory/structural/basis/atomic_labels.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/properties_directory/structural/basis/bonds.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/properties_directory/structural/basis/units_enum.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/properties_directory/structural/basis.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/properties_directory/structural/density.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/properties_directory/structural/elemental_ratio.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/properties_directory/structural/inchi.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/properties_directory/structural/inchi_key.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/properties_directory/structural/lattice/type_enum.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/properties_directory/structural/lattice/type_extended_enum.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/properties_directory/structural/lattice/units/angle_enum.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/properties_directory/structural/lattice/units/length_enum.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/properties_directory/structural/lattice/units.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/properties_directory/structural/lattice/vectors/units_enum.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/properties_directory/structural/lattice/vectors.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/properties_directory/structural/lattice.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/properties_directory/structural/magnetic_moments.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/properties_directory/structural/molecular_pattern.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/properties_directory/structural/p-norm.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/properties_directory/structural/patterns/functional_group.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/properties_directory/structural/patterns/ring.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/properties_directory/structural/patterns/special_bond.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/properties_directory/structural/symmetry.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/properties_directory/structural/volume.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/properties_directory/workflow/convergence/electronic.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/properties_directory/workflow/convergence/ionic.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/properties_directory/workflow/convergence/kpoint.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/property/base.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/property/meta.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/property/raw.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/property/source.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/software/application.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/software/executable.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/software/flavor.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/software/template.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/software_directory/ml/exabyteml.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/software_directory/ml/unit/execution/evaluate/cross-validate.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/software_directory/ml/unit/execution/initialize.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/software_directory/ml/unit/execution/score.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/software_directory/ml/unit/execution/train.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/software_directory/ml/unit/execution.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/software_directory/ml/unit/processing/data_transformation/manipulation.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/software_directory/ml/unit/processing/data_transformation/scale_and_reduce.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/software_directory/ml/unit/processing/data_transformation.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/software_directory/ml/unit/processing/feature_selection/filter_based.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/software_directory/ml/unit/processing/feature_selection.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/software_directory/ml/unit/processing.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/software_directory/modeling/deepmd.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/software_directory/modeling/espresso/arguments.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/software_directory/modeling/espresso.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/software_directory/modeling/nwchem.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/software_directory/modeling/unit/execution.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/software_directory/modeling/vasp.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/software_directory/scripting/jupyter-lab.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/software_directory/scripting/python.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/software_directory/scripting/shell.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/software_directory/scripting/unit/execution.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/system/_material.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/system/_parent_job.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/system/_project.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/system/bankable.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/system/consistency_check.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/system/creator.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/system/creator_account.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/system/database_source.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/system/defaultable.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/system/description.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/system/entity_reference.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/system/file_source.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/system/has_consistency_check.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/system/history.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/system/iframe_message.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/system/in_set.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/system/is_multi_material.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/system/is_outdated.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/system/job_extended.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/system/message.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/system/metadata.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/system/name.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/system/owner.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/system/path.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/system/path_entity.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/system/schema_version.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/system/scope.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/system/set.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/system/sharing.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/system/soft_removable.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/system/status.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/system/tags.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/system/timestampable.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/system/use_values.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/workflow/base.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/workflow/base_flow.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/workflow/scope.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/workflow/subworkflow/unit.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/workflow/subworkflow.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/workflow/unit/assertion.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/workflow/unit/assignment.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/workflow/unit/base.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/workflow/unit/condition.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/workflow/unit/execution.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/workflow/unit/input/_input.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/workflow/unit/input/_inputItem.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/workflow/unit/input/_inputItemId.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/workflow/unit/input/_inputItemScope.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/workflow/unit/input/_map_input/values.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/workflow/unit/input/_map_input.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/workflow/unit/io/api.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/workflow/unit/io/db.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/workflow/unit/io/object_storage.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/workflow/unit/io.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/workflow/unit/map.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/workflow/unit/processing.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/workflow/unit/reduce.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/workflow/unit/runtime/_runtime_item_full_object.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/workflow/unit/runtime/_runtime_item_name_object.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/workflow/unit/runtime/_runtime_item_string.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/workflow/unit/runtime/runtime_item.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/workflow/unit/runtime/runtime_items.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/workflow/unit/subworkflow.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/workflow/unit.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/schema/workflow.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/set_schema_ids.ts +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/setup.cfg +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/__init__.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/js/esse/JSONSchemasInterface.ts +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/js/esse/JSONSchemasInterfaceServer.ts +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/js/esse/schemaUtils.ts +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/js/esse/settings.ts +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/js/esse/types.ts +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/js/json_include/index.ts +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/js/json_include/settings.ts +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/js/scripts/compileTs.ts +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/js/scripts/createEnumsFromYaml.ts +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/js/scripts/setSchemaIds.ts +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/js/utils/ajv.ts +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/js/utils/common.ts +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/js/utils/filesystem.ts +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/__init__.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/__init__.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/__init__.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/data/__init__.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/data/properties.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/__init__.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/apse/db/nist_jarvis/2024_3.13/__init__.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/apse/db/nist_jarvis/2024_3.13/atoms.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/apse/db/nist_jarvis/2024_3.13/db_entry.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/apse/file/applications/espresso/7.2/__init__.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/apse/file/applications/espresso/7.2/pw.x/__init__.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/apse/file/applications/espresso/7.2/pw.x/atomic_positions.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/apse/file/applications/espresso/7.2/pw.x/atomic_species.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/apse/file/applications/espresso/7.2/pw.x/cell.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/apse/file/applications/espresso/7.2/pw.x/cell_parameters.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/apse/file/applications/espresso/7.2/pw.x/control.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/apse/file/applications/espresso/7.2/pw.x/electrons.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/apse/file/applications/espresso/7.2/pw.x/hubbard.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/apse/file/applications/espresso/7.2/pw.x/ions.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/apse/file/applications/espresso/7.2/pw.x/k_points.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/apse/file/applications/espresso/7.2/pw.x/system.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/apse/file/applications/espresso/7.2/pw_x.py +0 -0
- {mat3ra_esse-2025.4.22.post0/src/py/mat3ra/esse/models/core → mat3ra_esse-2025.5.16.post0/src/py/mat3ra/esse/models/apse/materials/builders/slab/pymatgen}/__init__.py +0 -0
- {mat3ra_esse-2025.4.22.post0/src/py/mat3ra/esse/models/core/abstract → mat3ra_esse-2025.5.16.post0/src/py/mat3ra/esse/models/core}/__init__.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/core/abstract/2d_data.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/core/abstract/2d_plot.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/core/abstract/3d_grid.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/core/abstract/3d_tensor.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/core/abstract/3d_vector_basis.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/core/abstract/_2d_data.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/core/abstract/_2d_plot.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/core/abstract/_3d_grid.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/core/abstract/_3d_tensor.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/core/abstract/_3d_vector_basis.py +0 -0
- {mat3ra_esse-2025.4.22.post0/src/py/mat3ra/esse/models/core/primitive → mat3ra_esse-2025.5.16.post0/src/py/mat3ra/esse/models/core/abstract}/__init__.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/core/abstract/coordinate_3d.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/core/abstract/kpoint.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/core/abstract/matrix_3x3.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/core/abstract/point.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/core/abstract/vector.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/core/abstract/vector_3d.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/core/abstract/vector_boolean_3d.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/core/primitive/1d_data_series.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/core/primitive/3d_lattice.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/core/primitive/_1d_data_series.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/core/primitive/_3d_lattice.py +0 -0
- {mat3ra_esse-2025.4.22.post0/src/py/mat3ra/esse/models/core/reusable → mat3ra_esse-2025.5.16.post0/src/py/mat3ra/esse/models/core/primitive}/__init__.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/core/primitive/array_of_3_booleans.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/core/primitive/array_of_3_numbers.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/core/primitive/array_of_ids.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/core/primitive/array_of_strings.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/core/primitive/axis.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/core/primitive/group_info.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/core/primitive/integer_one_or_zero.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/core/primitive/integer_positive_single_digit.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/core/primitive/linked_list/__init__.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/core/primitive/linked_list/base_node.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/core/primitive/linked_list/named_node.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/core/primitive/linked_list/named_node_in_group.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/core/primitive/linked_list/node_with_type.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/core/primitive/object_with_id.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/core/primitive/object_with_id_and_value.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/core/primitive/scalar.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/core/primitive/slugified_entry.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/core/primitive/slugified_entry_or_slug.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/core/primitive/string.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/core/reference/__init__.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/core/reference/exabyte.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/core/reference/experiment/__init__.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/core/reference/experiment/condition.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/core/reference/experiment/location.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/core/reference/literature/__init__.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/core/reference/literature/name.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/core/reference/literature/pages.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/core/reference/modeling/__init__.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/core/reference/modeling/exabyte.py +0 -0
- {mat3ra_esse-2025.4.22.post0/src/py/mat3ra/esse/models/core/reusable/atomic_data → mat3ra_esse-2025.5.16.post0/src/py/mat3ra/esse/models/core/reusable}/__init__.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/core/reusable/accuracy_level.py +0 -0
- {mat3ra_esse-2025.4.22.post0/src/py/mat3ra/esse/models/core/reusable/energy_accuracy_levels/Reusable_schema_for_energy_value_with_unit_corresponding_to_a_specific_accuracy_level__e → mat3ra_esse-2025.5.16.post0/src/py/mat3ra/esse/models/core/reusable/atomic_data}/__init__.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/core/reusable/atomic_data/per_orbital.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/core/reusable/atomic_data/per_orbital_pair.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/core/reusable/atomic_data/value_number.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/core/reusable/atomic_data/value_string.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/core/reusable/atomic_data_per_orbital_numeric.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/core/reusable/atomic_data_per_orbital_pair_numeric.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/core/reusable/atomic_orbital.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/core/reusable/atomic_scalars.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/core/reusable/atomic_string.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/core/reusable/atomic_strings.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/core/reusable/atomic_vector.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/core/reusable/atomic_vectors.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/core/reusable/band_gap.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/core/reusable/categories.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/core/reusable/category_path.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/core/reusable/dielectric_tensor_component.py +0 -0
- {mat3ra_esse-2025.4.22.post0/src/py/mat3ra/esse/models/definitions → mat3ra_esse-2025.5.16.post0/src/py/mat3ra/esse/models/core/reusable/energy_accuracy_levels/Reusable_schema_for_energy_value_with_unit_corresponding_to_a_specific_accuracy_level__e}/__init__.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/core/reusable/energy_accuracy_levels/Reusable_schema_for_energy_value_with_unit_corresponding_to_a_specific_accuracy_level__e/g.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/core/reusable/energy_accuracy_levels/__init__.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/core/reusable/energy_accuracy_levels.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/core/reusable/file_metadata.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/core/reusable/frequency_function_matrix.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/core/reusable/object_storage_container_data.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/core/reusable/scalar_with_accuracy_levels.py +0 -0
- {mat3ra_esse-2025.4.22.post0/src/py/mat3ra/esse/models/in_memory_entity → mat3ra_esse-2025.5.16.post0/src/py/mat3ra/esse/models/definitions}/__init__.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/definitions/constants.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/definitions/units.py +0 -0
- {mat3ra_esse-2025.4.22.post0/src/py/mat3ra/esse/models/methods_category/mathematical → mat3ra_esse-2025.5.16.post0/src/py/mat3ra/esse/models/in_memory_entity}/__init__.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/in_memory_entity/base.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/in_memory_entity/defaultable.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/in_memory_entity/has_consistency_check_has_metadata_named_defaultable.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/in_memory_entity/named.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/in_memory_entity/named_defaultable.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/in_memory_entity/named_defaultable_has_metadata.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/in_memory_entity/named_defaultable_runtime_items.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/job/__init__.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/job/base.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/job/compute.py +0 -0
- {mat3ra_esse-2025.4.22.post0/src/py/mat3ra/esse/models/methods_category/physical → mat3ra_esse-2025.5.16.post0/src/py/mat3ra/esse/models/material/builders/base}/__init__.py +0 -0
- {mat3ra_esse-2025.4.22.post0/src/py/mat3ra/esse/models/methods_directory/legacy → mat3ra_esse-2025.5.16.post0/src/py/mat3ra/esse/models/material/builders/single_material/two_dimensional/slab}/__init__.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/material/consistency_check.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/material/conventional.py +0 -0
- {mat3ra_esse-2025.4.22.post0/src/py/mat3ra/esse/models/methods_directory/mathematical → mat3ra_esse-2025.5.16.post0/src/py/mat3ra/esse/models/material/reusable}/__init__.py +0 -0
- {mat3ra_esse-2025.4.22.post0/src/py/mat3ra/esse/models/methods_directory/mathematical/regression/kernel_ridge → mat3ra_esse-2025.5.16.post0/src/py/mat3ra/esse/models/material/reusable/slab}/__init__.py +0 -0
- {mat3ra_esse-2025.4.22.post0/src/py/mat3ra/esse/models/methods_directory/mathematical/regression/linear → mat3ra_esse-2025.5.16.post0/src/py/mat3ra/esse/models/materials_category/single_material/two_dimensional/slab}/__init__.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/method/__init__.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/method/categorized_method.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/method/method_parameters.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/method/unit_method.py +0 -0
- {mat3ra_esse-2025.4.22.post0/src/py/mat3ra/esse/models/methods_directory/physical → mat3ra_esse-2025.5.16.post0/src/py/mat3ra/esse/models/methods_category/mathematical}/__init__.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/methods_category/mathematical/diff/__init__.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/methods_category/mathematical/diff/enum_options.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/methods_category/mathematical/diff/fd.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/methods_category/mathematical/discr/__init__.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/methods_category/mathematical/discr/enum_options.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/methods_category/mathematical/discr/mesh/__init__.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/methods_category/mathematical/discr/mesh/enum_options.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/methods_category/mathematical/discr/mesh/hybrid.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/methods_category/mathematical/discr/mesh/nstruct.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/methods_category/mathematical/discr/mesh/struct/__init__.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/methods_category/mathematical/discr/mesh/struct/cartesian.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/methods_category/mathematical/discr/mesh/struct/enum_options.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/methods_category/mathematical/enum_options.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/methods_category/mathematical/fapprx/__init__.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/methods_category/mathematical/fapprx/basisexp.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/methods_category/mathematical/fapprx/enum_options.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/methods_category/mathematical/fapprx/ipol/__init__.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/methods_category/mathematical/fapprx/ipol/enum_options.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/methods_category/mathematical/fapprx/ipol/lin.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/methods_category/mathematical/fapprx/ipol/poly.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/methods_category/mathematical/fapprx/ipol/spline.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/methods_category/mathematical/intgr/__init__.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/methods_category/mathematical/intgr/analytic/__init__.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/methods_category/mathematical/intgr/analytic/enum_options.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/methods_category/mathematical/intgr/analytic/volume.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/methods_category/mathematical/intgr/diffeq/__init__.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/methods_category/mathematical/intgr/diffeq/enum_options.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/methods_category/mathematical/intgr/diffeq/order1.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/methods_category/mathematical/intgr/diffeq/order2.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/methods_category/mathematical/intgr/enum_options.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/methods_category/mathematical/intgr/numquad/__init__.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/methods_category/mathematical/intgr/numquad/enum_options.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/methods_category/mathematical/intgr/numquad/gauss.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/methods_category/mathematical/intgr/numquad/newcot.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/methods_category/mathematical/intgr/transf/__init__.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/methods_category/mathematical/intgr/transf/enum_options.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/methods_category/mathematical/intgr/transf/fourier.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/methods_category/mathematical/linalg/__init__.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/methods_category/mathematical/linalg/dcomp.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/methods_category/mathematical/linalg/diag/__init__.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/methods_category/mathematical/linalg/diag/davidson.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/methods_category/mathematical/linalg/diag/enum_options.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/methods_category/mathematical/linalg/enum_options.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/methods_category/mathematical/linalg/lintra.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/methods_category/mathematical/linalg/matf.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/methods_category/mathematical/opt/__init__.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/methods_category/mathematical/opt/diff/__init__.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/methods_category/mathematical/opt/diff/bracket.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/methods_category/mathematical/opt/diff/enum_options.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/methods_category/mathematical/opt/diff/local.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/methods_category/mathematical/opt/diff/order1.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/methods_category/mathematical/opt/diff/order2.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/methods_category/mathematical/opt/diff/ordern/__init__.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/methods_category/mathematical/opt/diff/ordern/cg.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/methods_category/mathematical/opt/diff/ordern/enum_options.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/methods_category/mathematical/opt/enum_options.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/methods_category/mathematical/opt/ndiff/__init__.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/methods_category/mathematical/opt/ndiff/direct.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/methods_category/mathematical/opt/ndiff/enum_options.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/methods_category/mathematical/opt/ndiff/pop.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/methods_category/mathematical/opt/ndiff/stoch.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/methods_category/mathematical/opt/root/__init__.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/methods_category/mathematical/opt/root/bracket.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/methods_category/mathematical/opt/root/enum_options.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/methods_category/mathematical/opt/root/iter.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/methods_category/mathematical/regression.py +0 -0
- {mat3ra_esse-2025.4.22.post0/src/py/mat3ra/esse/models/methods_directory/physical/ao → mat3ra_esse-2025.5.16.post0/src/py/mat3ra/esse/models/methods_category/physical}/__init__.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/methods_category/physical/enum_options.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/methods_category/physical/qm/__init__.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/methods_category/physical/qm/enum_options.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/methods_category/physical/qm/wf/__init__.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/methods_category/physical/qm/wf/ao/__init__.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/methods_category/physical/qm/wf/ao/dunning.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/methods_category/physical/qm/wf/ao/other.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/methods_category/physical/qm/wf/ao/pople.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/methods_category/physical/qm/wf/enum_options.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/methods_category/physical/qm/wf/psp.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/methods_category/physical/qm/wf/pw.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/methods_category/physical/qm/wf/smearing.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/methods_category/physical/qm/wf/tetrahedron.py +0 -0
- {mat3ra_esse-2025.4.22.post0/src/py/mat3ra/esse/models/methods_directory/physical/psp/Reusable_schema_for_energy_value_with_unit_corresponding_to_a_specific_accuracy_level__e → mat3ra_esse-2025.5.16.post0/src/py/mat3ra/esse/models/methods_directory/legacy}/__init__.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/methods_directory/legacy/localorbital.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/methods_directory/legacy/pseudopotential.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/methods_directory/legacy/regression.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/methods_directory/legacy/unknown.py +0 -0
- {mat3ra_esse-2025.4.22.post0/src/py/mat3ra/esse/models/methods_directory/physical/psp/file/Reusable_schema_for_energy_value_with_unit_corresponding_to_a_specific_accuracy_level__e → mat3ra_esse-2025.5.16.post0/src/py/mat3ra/esse/models/methods_directory/mathematical}/__init__.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/methods_directory/mathematical/cg.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/methods_directory/mathematical/davidson.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/methods_directory/mathematical/regression/__init__.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/methods_directory/mathematical/regression/data.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/methods_directory/mathematical/regression/dataset.py +0 -0
- {mat3ra_esse-2025.4.22.post0/src/py/mat3ra/esse/models/methods_directory/physical/psp/file_data_item/Reusable_schema_for_energy_value_with_unit_corresponding_to_a_specific_accuracy_level__e → mat3ra_esse-2025.5.16.post0/src/py/mat3ra/esse/models/methods_directory/mathematical/regression/kernel_ridge}/__init__.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/methods_directory/mathematical/regression/kernel_ridge/data_per_property.py +0 -0
- {mat3ra_esse-2025.4.22.post0/src/py/mat3ra/esse/models/model/mixins → mat3ra_esse-2025.5.16.post0/src/py/mat3ra/esse/models/methods_directory/mathematical/regression/linear}/__init__.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/methods_directory/mathematical/regression/linear/data_per_property.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/methods_directory/mathematical/regression/per_feature_item.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/methods_directory/mathematical/regression/precision.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/methods_directory/mathematical/regression/precision_per_property.py +0 -0
- {mat3ra_esse-2025.4.22.post0/src/py/mat3ra/esse/models/model/mixins/dft → mat3ra_esse-2025.5.16.post0/src/py/mat3ra/esse/models/methods_directory/physical}/__init__.py +0 -0
- {mat3ra_esse-2025.4.22.post0/src/py/mat3ra/esse/models/models_category → mat3ra_esse-2025.5.16.post0/src/py/mat3ra/esse/models/methods_directory/physical/ao}/__init__.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/methods_directory/physical/ao/dunning.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/methods_directory/physical/ao/enum_options.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/methods_directory/physical/ao/other.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/methods_directory/physical/ao/pople.py +0 -0
- {mat3ra_esse-2025.4.22.post0/src/py/mat3ra/esse/models/models_directory → mat3ra_esse-2025.5.16.post0/src/py/mat3ra/esse/models/methods_directory/physical/psp/Reusable_schema_for_energy_value_with_unit_corresponding_to_a_specific_accuracy_level__e}/__init__.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/methods_directory/physical/psp/Reusable_schema_for_energy_value_with_unit_corresponding_to_a_specific_accuracy_level__e/g.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/methods_directory/physical/psp/__init__.py +0 -0
- {mat3ra_esse-2025.4.22.post0/src/py/mat3ra/esse/models/models_directory/legacy → mat3ra_esse-2025.5.16.post0/src/py/mat3ra/esse/models/methods_directory/physical/psp/file/Reusable_schema_for_energy_value_with_unit_corresponding_to_a_specific_accuracy_level__e}/__init__.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/methods_directory/physical/psp/file/Reusable_schema_for_energy_value_with_unit_corresponding_to_a_specific_accuracy_level__e/g.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/methods_directory/physical/psp/file/__init__.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/methods_directory/physical/psp/file.py +0 -0
- {mat3ra_esse-2025.4.22.post0/src/py/mat3ra/esse/models/properties_directory → mat3ra_esse-2025.5.16.post0/src/py/mat3ra/esse/models/methods_directory/physical/psp/file_data_item/Reusable_schema_for_energy_value_with_unit_corresponding_to_a_specific_accuracy_level__e}/__init__.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/methods_directory/physical/psp/file_data_item/Reusable_schema_for_energy_value_with_unit_corresponding_to_a_specific_accuracy_level__e/g.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/methods_directory/physical/psp/file_data_item/__init__.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/methods_directory/physical/psp/file_data_item.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/methods_directory/physical/pw.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/methods_directory/physical/smearing.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/methods_directory/physical/tetrahedron.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/model/__init__.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/model/categorized_model.py +0 -0
- {mat3ra_esse-2025.4.22.post0/src/py/mat3ra/esse/models/properties_directory/elemental → mat3ra_esse-2025.5.16.post0/src/py/mat3ra/esse/models/model/mixins}/__init__.py +0 -0
- {mat3ra_esse-2025.4.22.post0/src/py/mat3ra/esse/models/properties_directory/non_scalar → mat3ra_esse-2025.5.16.post0/src/py/mat3ra/esse/models/model/mixins/dft}/__init__.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/model/mixins/dft/double_hybrid_functional.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/model/mixins/dft/enum_options.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/model/mixins/dft/gga_functional.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/model/mixins/dft/hybrid_functional.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/model/mixins/dft/lda_functional.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/model/mixins/dft/mgga_functional.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/model/mixins/dispersion_correction.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/model/mixins/enum_options.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/model/mixins/hubbard.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/model/mixins/spin_orbit_coupling.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/model/mixins/spin_polarization.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/model/model_parameters.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/model/model_without_method.py +0 -0
- {mat3ra_esse-2025.4.22.post0/src/py/mat3ra/esse/models/properties_directory/scalar → mat3ra_esse-2025.5.16.post0/src/py/mat3ra/esse/models/models_category}/__init__.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/models_category/enum_options.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/models_category/pb/__init__.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/models_category/pb/enum_options.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/models_category/pb/qm/__init__.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/models_category/pb/qm/abin/__init__.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/models_category/pb/qm/abin/enum_options.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/models_category/pb/qm/abin/gw.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/models_category/pb/qm/dft/__init__.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/models_category/pb/qm/dft/enum_options.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/models_category/pb/qm/dft/ksdft/__init__.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/models_category/pb/qm/dft/ksdft/double_hybrid.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/models_category/pb/qm/dft/ksdft/enum_options.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/models_category/pb/qm/dft/ksdft/gga.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/models_category/pb/qm/dft/ksdft/hybrid.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/models_category/pb/qm/dft/ksdft/lda.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/models_category/pb/qm/dft/ksdft/mgga.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/models_category/pb/qm/enum_options.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/models_category/pb/qm/semp.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/models_category/st/__init__.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/models_category/st/det/__init__.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/models_category/st/det/enum_options.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/models_category/st/det/ml/__init__.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/models_category/st/det/ml/enum_options.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/models_category/st/det/ml/re.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/models_category/st/enum_options.py +0 -0
- {mat3ra_esse-2025.4.22.post0/src/py/mat3ra/esse/models/properties_directory/structural → mat3ra_esse-2025.5.16.post0/src/py/mat3ra/esse/models/models_directory}/__init__.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/models_directory/double_hybrid.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/models_directory/gga.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/models_directory/gw.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/models_directory/hybrid.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/models_directory/lda.py +0 -0
- {mat3ra_esse-2025.4.22.post0/src/py/mat3ra/esse/models/properties_directory/structural/lattice/units → mat3ra_esse-2025.5.16.post0/src/py/mat3ra/esse/models/models_directory/legacy}/__init__.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/models_directory/legacy/dft.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/models_directory/legacy/ml.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/models_directory/legacy/unknown.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/models_directory/mgga.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/models_directory/re.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/project.py +0 -0
- {mat3ra_esse-2025.4.22.post0/src/py/mat3ra/esse/models/properties_directory/structural/patterns → mat3ra_esse-2025.5.16.post0/src/py/mat3ra/esse/models/properties_directory}/__init__.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/properties_directory/electronic_configuration.py +0 -0
- {mat3ra_esse-2025.4.22.post0/src/py/mat3ra/esse/models/properties_directory/workflow/convergence → mat3ra_esse-2025.5.16.post0/src/py/mat3ra/esse/models/properties_directory/elemental}/__init__.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/properties_directory/elemental/atomic_radius.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/properties_directory/elemental/electronegativity.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/properties_directory/elemental/ionization_potential.py +0 -0
- {mat3ra_esse-2025.4.22.post0/src/py/mat3ra/esse/models/property → mat3ra_esse-2025.5.16.post0/src/py/mat3ra/esse/models/properties_directory/non_scalar}/__init__.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/properties_directory/non_scalar/average_potential_profile.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/properties_directory/non_scalar/band_gaps.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/properties_directory/non_scalar/band_structure.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/properties_directory/non_scalar/charge_density_profile.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/properties_directory/non_scalar/dielectric_tensor.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/properties_directory/non_scalar/file_content.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/properties_directory/non_scalar/hubbard_u.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/properties_directory/non_scalar/hubbard_v.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/properties_directory/non_scalar/hubbard_v_nn.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/properties_directory/non_scalar/potential_profile.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/properties_directory/non_scalar/reaction_energy_profile.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/properties_directory/non_scalar/stress_tensor.py +0 -0
- {mat3ra_esse-2025.4.22.post0/src/py/mat3ra/esse/models/property/base/The_source_of_a_property → mat3ra_esse-2025.5.16.post0/src/py/mat3ra/esse/models/properties_directory/scalar}/__init__.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/properties_directory/scalar/pressure.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/properties_directory/scalar/total_force.py +0 -0
- {mat3ra_esse-2025.4.22.post0/src/py/mat3ra/esse/models/property/meta/The_source_of_a_property → mat3ra_esse-2025.5.16.post0/src/py/mat3ra/esse/models/properties_directory/structural}/__init__.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/properties_directory/structural/atomic_forces.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/properties_directory/structural/basis/__init__.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/properties_directory/structural/basis/atomic_constraint.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/properties_directory/structural/basis/atomic_constraints.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/properties_directory/structural/basis/atomic_constraints_property.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/properties_directory/structural/basis/atomic_coordinate.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/properties_directory/structural/basis/atomic_coordinates.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/properties_directory/structural/basis/atomic_element.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/properties_directory/structural/basis/atomic_elements.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/properties_directory/structural/basis/atomic_label.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/properties_directory/structural/basis/atomic_labels.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/properties_directory/structural/basis/bonds.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/properties_directory/structural/basis/units_enum.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/properties_directory/structural/density.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/properties_directory/structural/elemental_ratio.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/properties_directory/structural/inchi.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/properties_directory/structural/inchi_key.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/properties_directory/structural/lattice/__init__.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/properties_directory/structural/lattice/lattice_bravais.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/properties_directory/structural/lattice/lattice_vectors.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/properties_directory/structural/lattice/type_enum.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/properties_directory/structural/lattice/type_extended_enum.py +0 -0
- {mat3ra_esse-2025.4.22.post0/src/py/mat3ra/esse/models/property/raw/The_source_of_a_property → mat3ra_esse-2025.5.16.post0/src/py/mat3ra/esse/models/properties_directory/structural/lattice/units}/__init__.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/properties_directory/structural/lattice/units/angle_enum.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/properties_directory/structural/lattice/units/length_enum.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/properties_directory/structural/lattice/vectors/__init__.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/properties_directory/structural/lattice/vectors/units_enum.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/properties_directory/structural/magnetic_moments.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/properties_directory/structural/p_norm.py +0 -0
- {mat3ra_esse-2025.4.22.post0/src/py/mat3ra/esse/models/property/source/The_source_of_a_property → mat3ra_esse-2025.5.16.post0/src/py/mat3ra/esse/models/properties_directory/structural/patterns}/__init__.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/properties_directory/structural/patterns/functional_group.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/properties_directory/structural/patterns/ring.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/properties_directory/structural/patterns/special_bond.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/properties_directory/structural/symmetry.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/properties_directory/structural/volume.py +0 -0
- {mat3ra_esse-2025.4.22.post0/src/py/mat3ra/esse/models/software → mat3ra_esse-2025.5.16.post0/src/py/mat3ra/esse/models/properties_directory/workflow/convergence}/__init__.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/properties_directory/workflow/convergence/electronic.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/properties_directory/workflow/convergence/kpoint.py +0 -0
- {mat3ra_esse-2025.4.22.post0/src/py/mat3ra/esse/models/software_directory/ml → mat3ra_esse-2025.5.16.post0/src/py/mat3ra/esse/models/property}/__init__.py +0 -0
- {mat3ra_esse-2025.4.22.post0/src/py/mat3ra/esse/models/software_directory/ml/unit → mat3ra_esse-2025.5.16.post0/src/py/mat3ra/esse/models/property/base/The_source_of_a_property}/__init__.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/property/base/The_source_of_a_property/field_This_could_be_an_article__a_simulation_on_Exabyte__an_external_simulation__etc.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/property/base/__init__.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/property/base.py +0 -0
- {mat3ra_esse-2025.4.22.post0/src/py/mat3ra/esse/models/software_directory/ml/unit/execution/evaluate → mat3ra_esse-2025.5.16.post0/src/py/mat3ra/esse/models/property/meta/The_source_of_a_property}/__init__.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/property/meta/The_source_of_a_property/field_This_could_be_an_article__a_simulation_on_Exabyte__an_external_simulation__etc.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/property/meta/__init__.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/property/meta.py +0 -0
- {mat3ra_esse-2025.4.22.post0/src/py/mat3ra/esse/models/software_directory/modeling → mat3ra_esse-2025.5.16.post0/src/py/mat3ra/esse/models/property/raw/The_source_of_a_property}/__init__.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/property/raw/The_source_of_a_property/field_This_could_be_an_article__a_simulation_on_Exabyte__an_external_simulation__etc.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/property/raw/__init__.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/property/raw.py +0 -0
- {mat3ra_esse-2025.4.22.post0/src/py/mat3ra/esse/models/software_directory/modeling/unit → mat3ra_esse-2025.5.16.post0/src/py/mat3ra/esse/models/property/source/The_source_of_a_property}/__init__.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/property/source/The_source_of_a_property/field_This_could_be_an_article__a_simulation_on_Exabyte__an_external_simulation__etc.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/property/source/__init__.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/property/source.py +0 -0
- {mat3ra_esse-2025.4.22.post0/src/py/mat3ra/esse/models/software_directory/scripting → mat3ra_esse-2025.5.16.post0/src/py/mat3ra/esse/models/software}/__init__.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/software/application.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/software/executable.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/software/flavor.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/software/template.py +0 -0
- {mat3ra_esse-2025.4.22.post0/src/py/mat3ra/esse/models/software_directory/scripting/unit → mat3ra_esse-2025.5.16.post0/src/py/mat3ra/esse/models/software_directory/ml}/__init__.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/software_directory/ml/exabyteml.py +0 -0
- {mat3ra_esse-2025.4.22.post0/src/py/mat3ra/esse/models/system → mat3ra_esse-2025.5.16.post0/src/py/mat3ra/esse/models/software_directory/ml/unit}/__init__.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/software_directory/ml/unit/execution/__init__.py +0 -0
- {mat3ra_esse-2025.4.22.post0/src/py/mat3ra/esse/models/third_party/db/nist_jarvis/2024_3.13 → mat3ra_esse-2025.5.16.post0/src/py/mat3ra/esse/models/software_directory/ml/unit/execution/evaluate}/__init__.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/software_directory/ml/unit/execution/evaluate/cross_validate.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/software_directory/ml/unit/execution/initialize.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/software_directory/ml/unit/execution/score.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/software_directory/ml/unit/execution/train.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/software_directory/ml/unit/processing/__init__.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/software_directory/ml/unit/processing/data_transformation/__init__.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/software_directory/ml/unit/processing/data_transformation/manipulation.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/software_directory/ml/unit/processing/data_transformation/scale_and_reduce.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/software_directory/ml/unit/processing/feature_selection/__init__.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/software_directory/ml/unit/processing/feature_selection/filter_based.py +0 -0
- {mat3ra_esse-2025.4.22.post0/src/py/mat3ra/esse/models/third_party/file/applications/espresso/7.2 → mat3ra_esse-2025.5.16.post0/src/py/mat3ra/esse/models/software_directory/modeling}/__init__.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/software_directory/modeling/deepmd.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/software_directory/modeling/espresso/__init__.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/software_directory/modeling/espresso/arguments.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/software_directory/modeling/nwchem.py +0 -0
- {mat3ra_esse-2025.4.22.post0/src/py/mat3ra/esse/models/third_party/file/applications/espresso/7.2/pw.x → mat3ra_esse-2025.5.16.post0/src/py/mat3ra/esse/models/software_directory/modeling/unit}/__init__.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/software_directory/modeling/unit/execution.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/software_directory/modeling/vasp.py +0 -0
- {mat3ra_esse-2025.4.22.post0/src/py/mat3ra/esse/models/workflow/unit/input → mat3ra_esse-2025.5.16.post0/src/py/mat3ra/esse/models/software_directory/scripting}/__init__.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/software_directory/scripting/jupyter_lab.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/software_directory/scripting/python.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/software_directory/scripting/shell.py +0 -0
- {mat3ra_esse-2025.4.22.post0/src/py/mat3ra/esse/models/workflow/unit/runtime → mat3ra_esse-2025.5.16.post0/src/py/mat3ra/esse/models/software_directory/scripting/unit}/__init__.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/software_directory/scripting/unit/execution.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/system/_material.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/system/_parent_job.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/system/_project.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/system/bankable.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/system/consistency_check.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/system/creator.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/system/creator_account.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/system/database_source.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/system/defaultable.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/system/description.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/system/entity_reference.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/system/file_source.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/system/has_consistency_check.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/system/history.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/system/iframe_message.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/system/in_set.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/system/is_multi_material.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/system/is_outdated.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/system/job_extended.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/system/message.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/system/metadata.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/system/name.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/system/owner.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/system/path.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/system/path_entity.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/system/schema_version.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/system/scope.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/system/set.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/system/sharing.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/system/soft_removable.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/system/status.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/system/tags.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/system/timestampable.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/system/use_values.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/third_party/db/nist_jarvis/2024_3.13/atoms.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/third_party/db/nist_jarvis/2024_3.13/db_entry.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/third_party/file/applications/espresso/7.2/pw.x/atomic_positions.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/third_party/file/applications/espresso/7.2/pw.x/atomic_species.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/third_party/file/applications/espresso/7.2/pw.x/cell.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/third_party/file/applications/espresso/7.2/pw.x/cell_parameters.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/third_party/file/applications/espresso/7.2/pw.x/control.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/third_party/file/applications/espresso/7.2/pw.x/electrons.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/third_party/file/applications/espresso/7.2/pw.x/hubbard.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/third_party/file/applications/espresso/7.2/pw.x/ions.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/third_party/file/applications/espresso/7.2/pw.x/k_points.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/third_party/file/applications/espresso/7.2/pw.x/system.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/third_party/file/applications/espresso/7.2/pw_x.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/workflow/__init__.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/workflow/base.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/workflow/base_flow.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/workflow/scope.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/workflow/subworkflow/__init__.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/workflow/subworkflow/unit.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/workflow/unit/__init__.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/workflow/unit/assertion.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/workflow/unit/assignment.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/workflow/unit/base.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/workflow/unit/condition.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/workflow/unit/execution.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/workflow/unit/input/_input.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/workflow/unit/input/_inputItem.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/workflow/unit/input/_inputItemId.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/workflow/unit/input/_inputItemScope.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/workflow/unit/input/_map_input/__init__.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/workflow/unit/input/_map_input/values.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/workflow/unit/io/__init__.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/workflow/unit/io/api.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/workflow/unit/io/db.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/workflow/unit/io/object_storage.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/workflow/unit/map.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/workflow/unit/processing.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/workflow/unit/reduce.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/workflow/unit/runtime/_runtime_item_full_object.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/workflow/unit/runtime/_runtime_item_name_object.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/workflow/unit/runtime/_runtime_item_string.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/workflow/unit/runtime/runtime_item.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/workflow/unit/runtime/runtime_items.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/models/workflow/unit/subworkflow.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra/esse/utils.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra_esse.egg-info/dependency_links.txt +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra_esse.egg-info/requires.txt +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/src/py/mat3ra_esse.egg-info/top_level.txt +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/tests/js/JSONSchemasInterface.tests.ts +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/tests/js/fixtures/json/1.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/tests/js/fixtures/json/2.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/tests/js/validate.ts +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/tests/py/__init__.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/tests/py/esse/__init__.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/tests/py/esse/test_validate.py +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/tsconfig-transpile.json +0 -0
- {mat3ra_esse-2025.4.22.post0 → mat3ra_esse-2025.5.16.post0}/tsconfig.json +0 -0
|
@@ -22,10 +22,10 @@ else
|
|
|
22
22
|
echo "ERROR: Python virtual environment found. Create one in '.venv' and install '.[all]'"
|
|
23
23
|
exit 1
|
|
24
24
|
fi
|
|
25
|
-
|
|
26
25
|
npx lint-staged --allow-empty
|
|
27
26
|
|
|
28
|
-
|
|
27
|
+
# Skip linting after build to preserve generated files
|
|
28
|
+
# npm run lint:fix
|
|
29
29
|
npm run transpile
|
|
30
30
|
#git add dist/js
|
|
31
31
|
|
|
@@ -0,0 +1 @@
|
|
|
1
|
+
[1, 2, 3]
|
|
@@ -0,0 +1 @@
|
|
|
1
|
+
3
|
|
@@ -0,0 +1 @@
|
|
|
1
|
+
15.0
|
|
@@ -0,0 +1,25 @@
|
|
|
1
|
+
{
|
|
2
|
+
"bulk": {
|
|
3
|
+
"...": "include(../../../../material.json)"
|
|
4
|
+
},
|
|
5
|
+
"miller_indices": [
|
|
6
|
+
0,
|
|
7
|
+
0,
|
|
8
|
+
1
|
|
9
|
+
],
|
|
10
|
+
"number_of_layers": 3,
|
|
11
|
+
"vacuum": 15.0,
|
|
12
|
+
"xy_supercell_matrix": [
|
|
13
|
+
[
|
|
14
|
+
1,
|
|
15
|
+
0
|
|
16
|
+
],
|
|
17
|
+
[
|
|
18
|
+
0,
|
|
19
|
+
1
|
|
20
|
+
]
|
|
21
|
+
],
|
|
22
|
+
"use_conventional_cell": true,
|
|
23
|
+
"use_orthogonal_z": true,
|
|
24
|
+
"make_primitive": true
|
|
25
|
+
}
|
|
@@ -32,7 +32,7 @@
|
|
|
32
32
|
"lodash": "4.17.21"
|
|
33
33
|
},
|
|
34
34
|
"devDependencies": {
|
|
35
|
-
"@exabyte-io/eslint-config": "
|
|
35
|
+
"@exabyte-io/eslint-config": "2025.5.13-0",
|
|
36
36
|
"@mat3ra/tsconfig": "^2024.6.3-0",
|
|
37
37
|
"@typescript-eslint/eslint-plugin": "^5.62.0",
|
|
38
38
|
"@typescript-eslint/parser": "^5.62.0",
|
|
@@ -45,6 +45,7 @@
|
|
|
45
45
|
"eslint-import-resolver-node": "^0.3.9",
|
|
46
46
|
"eslint-plugin-import": "^2.31.0",
|
|
47
47
|
"eslint-plugin-jsdoc": "^50.6.9",
|
|
48
|
+
"eslint-plugin-jsonc": "^2.20.0",
|
|
48
49
|
"eslint-plugin-jsx-a11y": "^6.10.2",
|
|
49
50
|
"eslint-plugin-mui-path-imports": "0.0.15",
|
|
50
51
|
"eslint-plugin-prettier": "^4.2.1",
|
|
@@ -2021,11 +2022,10 @@
|
|
|
2021
2022
|
}
|
|
2022
2023
|
},
|
|
2023
2024
|
"node_modules/@exabyte-io/eslint-config": {
|
|
2024
|
-
"version": "2025.
|
|
2025
|
-
"resolved": "https://registry.npmjs.org/@exabyte-io/eslint-config/-/eslint-config-2025.
|
|
2026
|
-
"integrity": "sha512-
|
|
2025
|
+
"version": "2025.5.13-0",
|
|
2026
|
+
"resolved": "https://registry.npmjs.org/@exabyte-io/eslint-config/-/eslint-config-2025.5.13-0.tgz",
|
|
2027
|
+
"integrity": "sha512-uZcq9jzmDHl+N71GYEM7l0z6mwyYfuZdNA/bIyql6Mp2H++Oot62nIoMhgvds1r7dbrtL/3jD3Xv0YDj12NiYw==",
|
|
2027
2028
|
"dev": true,
|
|
2028
|
-
"license": "Apache-2.0",
|
|
2029
2029
|
"engines": {
|
|
2030
2030
|
"node": ">=12.0.0"
|
|
2031
2031
|
},
|
|
@@ -2045,12 +2045,14 @@
|
|
|
2045
2045
|
"eslint-import-resolver-meteor": "^0.4.0",
|
|
2046
2046
|
"eslint-import-resolver-node": "^0.3.6",
|
|
2047
2047
|
"eslint-plugin-import": "^2.25.3",
|
|
2048
|
-
"eslint-plugin-jsdoc": "^50.6.0",
|
|
2048
|
+
"eslint-plugin-jsdoc": "^37.1.0 || ^50.6.0",
|
|
2049
|
+
"eslint-plugin-jsonc": "^2.12.0",
|
|
2049
2050
|
"eslint-plugin-jsx-a11y": "^6.5.1",
|
|
2050
2051
|
"eslint-plugin-mui-path-imports": "^0.0.15",
|
|
2051
2052
|
"eslint-plugin-prettier": "^4.2.1",
|
|
2052
2053
|
"eslint-plugin-react": "^7.30.0",
|
|
2053
|
-
"eslint-plugin-simple-import-sort": "^7.0.0"
|
|
2054
|
+
"eslint-plugin-simple-import-sort": "^7.0.0",
|
|
2055
|
+
"jsonc-eslint-parser": "^2.1.0"
|
|
2054
2056
|
}
|
|
2055
2057
|
},
|
|
2056
2058
|
"node_modules/@humanwhocodes/config-array": {
|
|
@@ -4319,6 +4321,33 @@
|
|
|
4319
4321
|
"url": "https://opencollective.com/eslint"
|
|
4320
4322
|
}
|
|
4321
4323
|
},
|
|
4324
|
+
"node_modules/eslint-compat-utils": {
|
|
4325
|
+
"version": "0.6.5",
|
|
4326
|
+
"resolved": "https://registry.npmjs.org/eslint-compat-utils/-/eslint-compat-utils-0.6.5.tgz",
|
|
4327
|
+
"integrity": "sha512-vAUHYzue4YAa2hNACjB8HvUQj5yehAZgiClyFVVom9cP8z5NSFq3PwB/TtJslN2zAMgRX6FCFCjYBbQh71g5RQ==",
|
|
4328
|
+
"dev": true,
|
|
4329
|
+
"dependencies": {
|
|
4330
|
+
"semver": "^7.5.4"
|
|
4331
|
+
},
|
|
4332
|
+
"engines": {
|
|
4333
|
+
"node": ">=12"
|
|
4334
|
+
},
|
|
4335
|
+
"peerDependencies": {
|
|
4336
|
+
"eslint": ">=6.0.0"
|
|
4337
|
+
}
|
|
4338
|
+
},
|
|
4339
|
+
"node_modules/eslint-compat-utils/node_modules/semver": {
|
|
4340
|
+
"version": "7.7.2",
|
|
4341
|
+
"resolved": "https://registry.npmjs.org/semver/-/semver-7.7.2.tgz",
|
|
4342
|
+
"integrity": "sha512-RF0Fw+rO5AMf9MAyaRXI4AV0Ulj5lMHqVxxdSgiVbixSCXoEmmX/jk0CuJw4+3SqroYO9VoUh+HcuJivvtJemA==",
|
|
4343
|
+
"dev": true,
|
|
4344
|
+
"bin": {
|
|
4345
|
+
"semver": "bin/semver.js"
|
|
4346
|
+
},
|
|
4347
|
+
"engines": {
|
|
4348
|
+
"node": ">=10"
|
|
4349
|
+
}
|
|
4350
|
+
},
|
|
4322
4351
|
"node_modules/eslint-config-airbnb": {
|
|
4323
4352
|
"version": "19.0.4",
|
|
4324
4353
|
"resolved": "https://registry.npmjs.org/eslint-config-airbnb/-/eslint-config-airbnb-19.0.4.tgz",
|
|
@@ -4424,6 +4453,27 @@
|
|
|
4424
4453
|
"ms": "^2.1.1"
|
|
4425
4454
|
}
|
|
4426
4455
|
},
|
|
4456
|
+
"node_modules/eslint-json-compat-utils": {
|
|
4457
|
+
"version": "0.2.1",
|
|
4458
|
+
"resolved": "https://registry.npmjs.org/eslint-json-compat-utils/-/eslint-json-compat-utils-0.2.1.tgz",
|
|
4459
|
+
"integrity": "sha512-YzEodbDyW8DX8bImKhAcCeu/L31Dd/70Bidx2Qex9OFUtgzXLqtfWL4Hr5fM/aCCB8QUZLuJur0S9k6UfgFkfg==",
|
|
4460
|
+
"dev": true,
|
|
4461
|
+
"dependencies": {
|
|
4462
|
+
"esquery": "^1.6.0"
|
|
4463
|
+
},
|
|
4464
|
+
"engines": {
|
|
4465
|
+
"node": ">=12"
|
|
4466
|
+
},
|
|
4467
|
+
"peerDependencies": {
|
|
4468
|
+
"eslint": "*",
|
|
4469
|
+
"jsonc-eslint-parser": "^2.4.0"
|
|
4470
|
+
},
|
|
4471
|
+
"peerDependenciesMeta": {
|
|
4472
|
+
"@eslint/json": {
|
|
4473
|
+
"optional": true
|
|
4474
|
+
}
|
|
4475
|
+
}
|
|
4476
|
+
},
|
|
4427
4477
|
"node_modules/eslint-module-utils": {
|
|
4428
4478
|
"version": "2.12.0",
|
|
4429
4479
|
"resolved": "https://registry.npmjs.org/eslint-module-utils/-/eslint-module-utils-2.12.0.tgz",
|
|
@@ -4592,6 +4642,100 @@
|
|
|
4592
4642
|
"node": ">=10"
|
|
4593
4643
|
}
|
|
4594
4644
|
},
|
|
4645
|
+
"node_modules/eslint-plugin-jsonc": {
|
|
4646
|
+
"version": "2.20.0",
|
|
4647
|
+
"resolved": "https://registry.npmjs.org/eslint-plugin-jsonc/-/eslint-plugin-jsonc-2.20.0.tgz",
|
|
4648
|
+
"integrity": "sha512-FRgCn9Hzk5eKboCbVMrr9QrhM0eO4G+WKH8IFXoaeqhM/2kuWzbStJn4kkr0VWL8J5H8RYZF+Aoam1vlBaZVkw==",
|
|
4649
|
+
"dev": true,
|
|
4650
|
+
"dependencies": {
|
|
4651
|
+
"@eslint-community/eslint-utils": "^4.5.1",
|
|
4652
|
+
"eslint-compat-utils": "^0.6.4",
|
|
4653
|
+
"eslint-json-compat-utils": "^0.2.1",
|
|
4654
|
+
"espree": "^9.6.1 || ^10.3.0",
|
|
4655
|
+
"graphemer": "^1.4.0",
|
|
4656
|
+
"jsonc-eslint-parser": "^2.4.0",
|
|
4657
|
+
"natural-compare": "^1.4.0",
|
|
4658
|
+
"synckit": "^0.6.2 || ^0.7.3 || ^0.10.3"
|
|
4659
|
+
},
|
|
4660
|
+
"engines": {
|
|
4661
|
+
"node": "^12.22.0 || ^14.17.0 || >=16.0.0"
|
|
4662
|
+
},
|
|
4663
|
+
"funding": {
|
|
4664
|
+
"url": "https://github.com/sponsors/ota-meshi"
|
|
4665
|
+
},
|
|
4666
|
+
"peerDependencies": {
|
|
4667
|
+
"eslint": ">=6.0.0"
|
|
4668
|
+
}
|
|
4669
|
+
},
|
|
4670
|
+
"node_modules/eslint-plugin-jsonc/node_modules/@pkgr/core": {
|
|
4671
|
+
"version": "0.2.4",
|
|
4672
|
+
"resolved": "https://registry.npmjs.org/@pkgr/core/-/core-0.2.4.tgz",
|
|
4673
|
+
"integrity": "sha512-ROFF39F6ZrnzSUEmQQZUar0Jt4xVoP9WnDRdWwF4NNcXs3xBTLgBUDoOwW141y1jP+S8nahIbdxbFC7IShw9Iw==",
|
|
4674
|
+
"dev": true,
|
|
4675
|
+
"engines": {
|
|
4676
|
+
"node": "^12.20.0 || ^14.18.0 || >=16.0.0"
|
|
4677
|
+
},
|
|
4678
|
+
"funding": {
|
|
4679
|
+
"url": "https://opencollective.com/pkgr"
|
|
4680
|
+
}
|
|
4681
|
+
},
|
|
4682
|
+
"node_modules/eslint-plugin-jsonc/node_modules/acorn": {
|
|
4683
|
+
"version": "8.14.1",
|
|
4684
|
+
"resolved": "https://registry.npmjs.org/acorn/-/acorn-8.14.1.tgz",
|
|
4685
|
+
"integrity": "sha512-OvQ/2pUDKmgfCg++xsTX1wGxfTaszcHVcTctW4UJB4hibJx2HXxxO5UmVgyjMa+ZDsiaf5wWLXYpRWMmBI0QHg==",
|
|
4686
|
+
"dev": true,
|
|
4687
|
+
"bin": {
|
|
4688
|
+
"acorn": "bin/acorn"
|
|
4689
|
+
},
|
|
4690
|
+
"engines": {
|
|
4691
|
+
"node": ">=0.4.0"
|
|
4692
|
+
}
|
|
4693
|
+
},
|
|
4694
|
+
"node_modules/eslint-plugin-jsonc/node_modules/eslint-visitor-keys": {
|
|
4695
|
+
"version": "4.2.0",
|
|
4696
|
+
"resolved": "https://registry.npmjs.org/eslint-visitor-keys/-/eslint-visitor-keys-4.2.0.tgz",
|
|
4697
|
+
"integrity": "sha512-UyLnSehNt62FFhSwjZlHmeokpRK59rcz29j+F1/aDgbkbRTk7wIc9XzdoasMUbRNKDM0qQt/+BJ4BrpFeABemw==",
|
|
4698
|
+
"dev": true,
|
|
4699
|
+
"engines": {
|
|
4700
|
+
"node": "^18.18.0 || ^20.9.0 || >=21.1.0"
|
|
4701
|
+
},
|
|
4702
|
+
"funding": {
|
|
4703
|
+
"url": "https://opencollective.com/eslint"
|
|
4704
|
+
}
|
|
4705
|
+
},
|
|
4706
|
+
"node_modules/eslint-plugin-jsonc/node_modules/espree": {
|
|
4707
|
+
"version": "10.3.0",
|
|
4708
|
+
"resolved": "https://registry.npmjs.org/espree/-/espree-10.3.0.tgz",
|
|
4709
|
+
"integrity": "sha512-0QYC8b24HWY8zjRnDTL6RiHfDbAWn63qb4LMj1Z4b076A4une81+z03Kg7l7mn/48PUTqoLptSXez8oknU8Clg==",
|
|
4710
|
+
"dev": true,
|
|
4711
|
+
"dependencies": {
|
|
4712
|
+
"acorn": "^8.14.0",
|
|
4713
|
+
"acorn-jsx": "^5.3.2",
|
|
4714
|
+
"eslint-visitor-keys": "^4.2.0"
|
|
4715
|
+
},
|
|
4716
|
+
"engines": {
|
|
4717
|
+
"node": "^18.18.0 || ^20.9.0 || >=21.1.0"
|
|
4718
|
+
},
|
|
4719
|
+
"funding": {
|
|
4720
|
+
"url": "https://opencollective.com/eslint"
|
|
4721
|
+
}
|
|
4722
|
+
},
|
|
4723
|
+
"node_modules/eslint-plugin-jsonc/node_modules/synckit": {
|
|
4724
|
+
"version": "0.10.3",
|
|
4725
|
+
"resolved": "https://registry.npmjs.org/synckit/-/synckit-0.10.3.tgz",
|
|
4726
|
+
"integrity": "sha512-R1urvuyiTaWfeCggqEvpDJwAlDVdsT9NM+IP//Tk2x7qHCkSvBk/fwFgw/TLAHzZlrAnnazMcRw0ZD8HlYFTEQ==",
|
|
4727
|
+
"dev": true,
|
|
4728
|
+
"dependencies": {
|
|
4729
|
+
"@pkgr/core": "^0.2.0",
|
|
4730
|
+
"tslib": "^2.8.1"
|
|
4731
|
+
},
|
|
4732
|
+
"engines": {
|
|
4733
|
+
"node": "^14.18.0 || >=16.0.0"
|
|
4734
|
+
},
|
|
4735
|
+
"funding": {
|
|
4736
|
+
"url": "https://opencollective.com/unts"
|
|
4737
|
+
}
|
|
4738
|
+
},
|
|
4595
4739
|
"node_modules/eslint-plugin-jsx-a11y": {
|
|
4596
4740
|
"version": "6.10.2",
|
|
4597
4741
|
"resolved": "https://registry.npmjs.org/eslint-plugin-jsx-a11y/-/eslint-plugin-jsx-a11y-6.10.2.tgz",
|
|
@@ -6630,6 +6774,77 @@
|
|
|
6630
6774
|
"node": ">=6"
|
|
6631
6775
|
}
|
|
6632
6776
|
},
|
|
6777
|
+
"node_modules/jsonc-eslint-parser": {
|
|
6778
|
+
"version": "2.4.0",
|
|
6779
|
+
"resolved": "https://registry.npmjs.org/jsonc-eslint-parser/-/jsonc-eslint-parser-2.4.0.tgz",
|
|
6780
|
+
"integrity": "sha512-WYDyuc/uFcGp6YtM2H0uKmUwieOuzeE/5YocFJLnLfclZ4inf3mRn8ZVy1s7Hxji7Jxm6Ss8gqpexD/GlKoGgg==",
|
|
6781
|
+
"dev": true,
|
|
6782
|
+
"dependencies": {
|
|
6783
|
+
"acorn": "^8.5.0",
|
|
6784
|
+
"eslint-visitor-keys": "^3.0.0",
|
|
6785
|
+
"espree": "^9.0.0",
|
|
6786
|
+
"semver": "^7.3.5"
|
|
6787
|
+
},
|
|
6788
|
+
"engines": {
|
|
6789
|
+
"node": "^12.22.0 || ^14.17.0 || >=16.0.0"
|
|
6790
|
+
},
|
|
6791
|
+
"funding": {
|
|
6792
|
+
"url": "https://github.com/sponsors/ota-meshi"
|
|
6793
|
+
}
|
|
6794
|
+
},
|
|
6795
|
+
"node_modules/jsonc-eslint-parser/node_modules/acorn": {
|
|
6796
|
+
"version": "8.14.1",
|
|
6797
|
+
"resolved": "https://registry.npmjs.org/acorn/-/acorn-8.14.1.tgz",
|
|
6798
|
+
"integrity": "sha512-OvQ/2pUDKmgfCg++xsTX1wGxfTaszcHVcTctW4UJB4hibJx2HXxxO5UmVgyjMa+ZDsiaf5wWLXYpRWMmBI0QHg==",
|
|
6799
|
+
"dev": true,
|
|
6800
|
+
"bin": {
|
|
6801
|
+
"acorn": "bin/acorn"
|
|
6802
|
+
},
|
|
6803
|
+
"engines": {
|
|
6804
|
+
"node": ">=0.4.0"
|
|
6805
|
+
}
|
|
6806
|
+
},
|
|
6807
|
+
"node_modules/jsonc-eslint-parser/node_modules/eslint-visitor-keys": {
|
|
6808
|
+
"version": "3.4.3",
|
|
6809
|
+
"resolved": "https://registry.npmjs.org/eslint-visitor-keys/-/eslint-visitor-keys-3.4.3.tgz",
|
|
6810
|
+
"integrity": "sha512-wpc+LXeiyiisxPlEkUzU6svyS1frIO3Mgxj1fdy7Pm8Ygzguax2N3Fa/D/ag1WqbOprdI+uY6wMUl8/a2G+iag==",
|
|
6811
|
+
"dev": true,
|
|
6812
|
+
"engines": {
|
|
6813
|
+
"node": "^12.22.0 || ^14.17.0 || >=16.0.0"
|
|
6814
|
+
},
|
|
6815
|
+
"funding": {
|
|
6816
|
+
"url": "https://opencollective.com/eslint"
|
|
6817
|
+
}
|
|
6818
|
+
},
|
|
6819
|
+
"node_modules/jsonc-eslint-parser/node_modules/espree": {
|
|
6820
|
+
"version": "9.6.1",
|
|
6821
|
+
"resolved": "https://registry.npmjs.org/espree/-/espree-9.6.1.tgz",
|
|
6822
|
+
"integrity": "sha512-oruZaFkjorTpF32kDSI5/75ViwGeZginGGy2NoOSg3Q9bnwlnmDm4HLnkl0RE3n+njDXR037aY1+x58Z/zFdwQ==",
|
|
6823
|
+
"dev": true,
|
|
6824
|
+
"dependencies": {
|
|
6825
|
+
"acorn": "^8.9.0",
|
|
6826
|
+
"acorn-jsx": "^5.3.2",
|
|
6827
|
+
"eslint-visitor-keys": "^3.4.1"
|
|
6828
|
+
},
|
|
6829
|
+
"engines": {
|
|
6830
|
+
"node": "^12.22.0 || ^14.17.0 || >=16.0.0"
|
|
6831
|
+
},
|
|
6832
|
+
"funding": {
|
|
6833
|
+
"url": "https://opencollective.com/eslint"
|
|
6834
|
+
}
|
|
6835
|
+
},
|
|
6836
|
+
"node_modules/jsonc-eslint-parser/node_modules/semver": {
|
|
6837
|
+
"version": "7.7.2",
|
|
6838
|
+
"resolved": "https://registry.npmjs.org/semver/-/semver-7.7.2.tgz",
|
|
6839
|
+
"integrity": "sha512-RF0Fw+rO5AMf9MAyaRXI4AV0Ulj5lMHqVxxdSgiVbixSCXoEmmX/jk0CuJw4+3SqroYO9VoUh+HcuJivvtJemA==",
|
|
6840
|
+
"dev": true,
|
|
6841
|
+
"bin": {
|
|
6842
|
+
"semver": "bin/semver.js"
|
|
6843
|
+
},
|
|
6844
|
+
"engines": {
|
|
6845
|
+
"node": ">=10"
|
|
6846
|
+
}
|
|
6847
|
+
},
|
|
6633
6848
|
"node_modules/jsx-ast-utils": {
|
|
6634
6849
|
"version": "3.3.5",
|
|
6635
6850
|
"resolved": "https://registry.npmjs.org/jsx-ast-utils/-/jsx-ast-utils-3.3.5.tgz",
|
|
@@ -27,7 +27,7 @@
|
|
|
27
27
|
},
|
|
28
28
|
"homepage": "https://github.com/Exabyte-io/esse",
|
|
29
29
|
"devDependencies": {
|
|
30
|
-
"@exabyte-io/eslint-config": "
|
|
30
|
+
"@exabyte-io/eslint-config": "2025.5.13-0",
|
|
31
31
|
"@mat3ra/tsconfig": "^2024.6.3-0",
|
|
32
32
|
"@typescript-eslint/eslint-plugin": "^5.62.0",
|
|
33
33
|
"@typescript-eslint/parser": "^5.62.0",
|
|
@@ -40,6 +40,7 @@
|
|
|
40
40
|
"eslint-import-resolver-node": "^0.3.9",
|
|
41
41
|
"eslint-plugin-import": "^2.31.0",
|
|
42
42
|
"eslint-plugin-jsdoc": "^50.6.9",
|
|
43
|
+
"eslint-plugin-jsonc": "^2.20.0",
|
|
43
44
|
"eslint-plugin-jsx-a11y": "^6.10.2",
|
|
44
45
|
"eslint-plugin-mui-path-imports": "0.0.15",
|
|
45
46
|
"eslint-plugin-prettier": "^4.2.1",
|
|
@@ -83,8 +84,13 @@
|
|
|
83
84
|
"node": ">=14.0.0"
|
|
84
85
|
},
|
|
85
86
|
"lint-staged": {
|
|
86
|
-
"
|
|
87
|
-
|
|
87
|
+
"src/**/*.js": [
|
|
88
|
+
"eslint --cache --fix",
|
|
89
|
+
"prettier --write"
|
|
90
|
+
],
|
|
91
|
+
"src/**/*.css": "prettier --write",
|
|
92
|
+
"schemas/**/*.json": "eslint --cache --fix --no-ignore",
|
|
93
|
+
"example/**/*.json": "eslint --cache --fix --no-ignore"
|
|
88
94
|
},
|
|
89
95
|
"exports": {
|
|
90
96
|
"./dist/js/schema/*.json": "./dist/js/schema/*.json",
|
|
@@ -0,0 +1,33 @@
|
|
|
1
|
+
{
|
|
2
|
+
"$id": "apse/materials/builders/slab/pymatgen/parameters",
|
|
3
|
+
"$schema": "http://json-schema.org/draft-07/schema#",
|
|
4
|
+
"title": "Pymatgen Slab Generator Parameters Schema",
|
|
5
|
+
"description": "Parameters for the Pymatgen slab generator. https://github.com/materialsproject/pymatgen/blob/585bb673c4aa222669c4b0d72ffeec3dbf092630/pymatgen/core/surface.py#L1187",
|
|
6
|
+
"type": "object",
|
|
7
|
+
"properties": {
|
|
8
|
+
"min_vacuum_size": {
|
|
9
|
+
"description": "Minimum size of the vacuum in layers or angstroms",
|
|
10
|
+
"type": [
|
|
11
|
+
"integer",
|
|
12
|
+
"number"
|
|
13
|
+
],
|
|
14
|
+
"minimum": 0,
|
|
15
|
+
"default": 1
|
|
16
|
+
},
|
|
17
|
+
"in_unit_planes": {
|
|
18
|
+
"description": "Whether to cleave in unit planes",
|
|
19
|
+
"type": "boolean",
|
|
20
|
+
"default": true
|
|
21
|
+
},
|
|
22
|
+
"reorient_lattice": {
|
|
23
|
+
"description": "Whether to reorient the lattice",
|
|
24
|
+
"type": "boolean",
|
|
25
|
+
"default": true
|
|
26
|
+
},
|
|
27
|
+
"symmetrize": {
|
|
28
|
+
"description": "Whether to symmetrize the slab",
|
|
29
|
+
"type": "boolean",
|
|
30
|
+
"default": true
|
|
31
|
+
}
|
|
32
|
+
}
|
|
33
|
+
}
|
|
@@ -0,0 +1,15 @@
|
|
|
1
|
+
{
|
|
2
|
+
"$id": "material/builders/base/selector-parameters",
|
|
3
|
+
"$schema": "http://json-schema.org/draft-07/schema#",
|
|
4
|
+
"title": "Base Selector Parameters Schema",
|
|
5
|
+
"description": "Base parameters for all builder selectors",
|
|
6
|
+
"type": "object",
|
|
7
|
+
"properties": {
|
|
8
|
+
"default_index": {
|
|
9
|
+
"description": "Default index for the selector",
|
|
10
|
+
"type": "integer",
|
|
11
|
+
"minimum": 0,
|
|
12
|
+
"default": 0
|
|
13
|
+
}
|
|
14
|
+
}
|
|
15
|
+
}
|
|
@@ -0,0 +1,12 @@
|
|
|
1
|
+
{
|
|
2
|
+
"$id": "material/builders/single-material/two-dimensional/slab/builder-parameters",
|
|
3
|
+
"$schema": "http://json-schema.org/draft-07/schema#",
|
|
4
|
+
"title": "Slab Builder Parameters Schema",
|
|
5
|
+
"description": "Parameters for the slab builder",
|
|
6
|
+
"type": "object",
|
|
7
|
+
"allOf": [
|
|
8
|
+
{
|
|
9
|
+
"$ref": "../../../../../apse/materials/builders/slab/pymatgen/parameters.json"
|
|
10
|
+
}
|
|
11
|
+
]
|
|
12
|
+
}
|
|
@@ -0,0 +1,12 @@
|
|
|
1
|
+
{
|
|
2
|
+
"$id": "material/builders/single-material/two-dimensional/slab/selector-parameters",
|
|
3
|
+
"$schema": "http://json-schema.org/draft-07/schema#",
|
|
4
|
+
"title": "Slab Selector Parameters Schema",
|
|
5
|
+
"description": "Parameters for slab selection",
|
|
6
|
+
"type": "object",
|
|
7
|
+
"properties": {
|
|
8
|
+
"termination": {
|
|
9
|
+
"$ref": "../../../../../material/reusable/slab/termination.json"
|
|
10
|
+
}
|
|
11
|
+
}
|
|
12
|
+
}
|
|
@@ -0,0 +1,18 @@
|
|
|
1
|
+
{
|
|
2
|
+
"$id": "material/reusable/repetitions",
|
|
3
|
+
"$schema": "http://json-schema.org/draft-07/schema#",
|
|
4
|
+
"title": "Crystal Repetitions Schema",
|
|
5
|
+
"description": "Number of unit cells to repeat in each direction for a crystal structure.",
|
|
6
|
+
"type": "array",
|
|
7
|
+
"items": {
|
|
8
|
+
"type": "integer",
|
|
9
|
+
"minimum": 1
|
|
10
|
+
},
|
|
11
|
+
"minItems": 3,
|
|
12
|
+
"maxItems": 3,
|
|
13
|
+
"default": [
|
|
14
|
+
1,
|
|
15
|
+
1,
|
|
16
|
+
1
|
|
17
|
+
]
|
|
18
|
+
}
|
|
@@ -0,0 +1,11 @@
|
|
|
1
|
+
{
|
|
2
|
+
"$id": "material/reusable/slab/enums",
|
|
3
|
+
"$schema": "http://json-schema.org/draft-07/schema#",
|
|
4
|
+
"title": "Surface Types Enum",
|
|
5
|
+
"$comment": "The surface types used by passivation and surface analysis",
|
|
6
|
+
"enum": [
|
|
7
|
+
"top",
|
|
8
|
+
"bottom",
|
|
9
|
+
"both"
|
|
10
|
+
]
|
|
11
|
+
}
|
|
@@ -0,0 +1,17 @@
|
|
|
1
|
+
{
|
|
2
|
+
"$id": "material/reusable/slab/miller-indices",
|
|
3
|
+
"$schema": "http://json-schema.org/draft-07/schema#",
|
|
4
|
+
"title": "Miller Indices Schema",
|
|
5
|
+
"description": "Miller indices for crystallographic plane designation",
|
|
6
|
+
"type": "array",
|
|
7
|
+
"items": {
|
|
8
|
+
"type": "integer"
|
|
9
|
+
},
|
|
10
|
+
"minItems": 3,
|
|
11
|
+
"maxItems": 3,
|
|
12
|
+
"default": [
|
|
13
|
+
0,
|
|
14
|
+
0,
|
|
15
|
+
1
|
|
16
|
+
]
|
|
17
|
+
}
|
|
@@ -0,0 +1,9 @@
|
|
|
1
|
+
{
|
|
2
|
+
"$id": "material/reusable/slab/number-of-layers",
|
|
3
|
+
"$schema": "http://json-schema.org/draft-07/schema#",
|
|
4
|
+
"title": "number_of_layers Schema",
|
|
5
|
+
"description": "Number of atomic layers in a structural component",
|
|
6
|
+
"type": "integer",
|
|
7
|
+
"minimum": 1,
|
|
8
|
+
"default": 1
|
|
9
|
+
}
|
|
@@ -0,0 +1,23 @@
|
|
|
1
|
+
{
|
|
2
|
+
"$id": "material/reusable/slab/termination",
|
|
3
|
+
"$schema": "http://json-schema.org/draft-07/schema#",
|
|
4
|
+
"title": "Termination Schema",
|
|
5
|
+
"description": "Defines a specific termination of a slab",
|
|
6
|
+
"type": "object",
|
|
7
|
+
"required": [
|
|
8
|
+
"chemical_elements",
|
|
9
|
+
"space_group_symmetry_label"
|
|
10
|
+
],
|
|
11
|
+
"properties": {
|
|
12
|
+
"chemical_elements": {
|
|
13
|
+
"title": "Chemical Elements",
|
|
14
|
+
"description": "Chemical elements at the termination",
|
|
15
|
+
"type": "string"
|
|
16
|
+
},
|
|
17
|
+
"space_group_symmetry_label": {
|
|
18
|
+
"title": "Space Group Symmetry Label",
|
|
19
|
+
"description": "Space group symmetry designation for the termination",
|
|
20
|
+
"type": "string"
|
|
21
|
+
}
|
|
22
|
+
}
|
|
23
|
+
}
|