mat3ra-esse 2024.3.19.post0__tar.gz → 2024.3.20.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-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/PKG-INFO +1 -1
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/package-lock.json +1 -2
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/properties_directory/structural/basis.json +14 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/src/py/mat3ra/esse/data/schemas.py +1 -1
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/src/py/mat3ra_esse.egg-info/PKG-INFO +1 -1
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/.babelrc +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/.eslintrc.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/.github/workflows/cicd.yml +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/.gitignore +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/.husky/pre-commit +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/.mocharc.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/.pre-commit-config.yaml +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/.prettierrc +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/LICENSE.md +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/README.md +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/build_schemas.js +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/build_schemas.py +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/compile_ts.ts +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/docs/README.md +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/example/3pse/db/nist_jarvis/2024.3.13/db_entry.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/example/3pse/file/applications/espresso/7.2/pw.x.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/example/core/abstract/2d_data.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/example/core/abstract/2d_plot.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/example/core/abstract/3d_grid.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/example/core/abstract/3d_tensor.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/example/core/abstract/3d_vector_basis.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/example/core/abstract/point.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/example/core/abstract/vector.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/example/core/primitive/1d_data_series.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/example/core/primitive/3d_lattice.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/example/core/primitive/array_of_3_booleans.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/example/core/primitive/array_of_3_numbers.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/example/core/primitive/array_of_ids.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/example/core/primitive/axis.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/example/core/primitive/scalar.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/example/core/primitive/string.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/example/core/reference/experiment/condition.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/example/core/reference/experiment/location.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/example/core/reference/experiment.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/example/core/reference/literature/name.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/example/core/reference/literature/pages.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/example/core/reference/literature.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/example/core/reference/modeling/exabyte.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/example/core/reference/modeling.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/example/core/reference.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/example/core/reusable/atomic_vectors.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/example/core/reusable/band_gap.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/example/core/reusable/energy.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/example/core/reusable/file_metadata.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/example/core/reusable/object_storage_container_data.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/example/element.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/example/job/compute.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/example/job.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/example/material.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/example/method/categorized_method.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/example/method/method_parameters.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/example/method.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/example/methods_directory/legacy/localorbital.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/example/methods_directory/legacy/pseudopotential.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/example/methods_directory/legacy/regression.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/example/methods_directory/legacy/unknown.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/example/methods_directory/mathematical/cg.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/example/methods_directory/mathematical/regression.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/example/methods_directory/physical/ao/dunning.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/example/methods_directory/physical/psp/file.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/example/methods_directory/physical/psp.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/example/methods_directory/physical/pw.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/example/methods_directory/physical/smearing.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/example/methods_directory/physical/tetrahedron.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/example/model/categorized_model.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/example/model/model_parameters.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/example/model.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/example/models_category/pb/qm/abin/gw.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/example/models_category/pb/qm/dft/ksdft.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/example/models_category/pb/qm/semp.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/example/models_directory/gga.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/example/models_directory/gw.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/example/models_directory/hybrid.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/example/models_directory/lda.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/example/models_directory/legacy/dft.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/example/models_directory/legacy/ml.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/example/models_directory/legacy/unknown.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/example/models_directory/re.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/example/project.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/example/properties_directory/electronic_configuration.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/example/properties_directory/elemental/atomic_radius.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/example/properties_directory/elemental/electronegativity.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/example/properties_directory/elemental/ionization_potential.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/example/properties_directory/non-scalar/band_gaps.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/example/properties_directory/non-scalar/band_structure.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/example/properties_directory/non-scalar/charge_density_profile.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/example/properties_directory/non-scalar/density_of_states.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/example/properties_directory/non-scalar/dielectric_tensor.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/example/properties_directory/non-scalar/file_content.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/example/properties_directory/non-scalar/hubbard_u.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/example/properties_directory/non-scalar/hubbard_v.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/example/properties_directory/non-scalar/hubbard_v_nn.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/example/properties_directory/non-scalar/phonon_dispersions.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/example/properties_directory/non-scalar/phonon_dos.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/example/properties_directory/non-scalar/potential_profile.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/example/properties_directory/non-scalar/reaction_energy_profile.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/example/properties_directory/non-scalar/stress_tensor.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/example/properties_directory/non-scalar/total_energy_contributions.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/example/properties_directory/non-scalar/vibrational_spectrum.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/example/properties_directory/scalar/electron_affinity.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/example/properties_directory/scalar/fermi_energy.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/example/properties_directory/scalar/formation_energy.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/example/properties_directory/scalar/ionization_potential.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/example/properties_directory/scalar/pressure.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/example/properties_directory/scalar/reaction_energy_barrier.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/example/properties_directory/scalar/surface_energy.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/example/properties_directory/scalar/total_energy.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/example/properties_directory/scalar/total_force.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/example/properties_directory/scalar/valence_band_offset.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/example/properties_directory/scalar/zero_point_energy.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/example/properties_directory/structural/atomic_forces.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/example/properties_directory/structural/basis/atomic_constraints.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/example/properties_directory/structural/basis/atomic_coordinate.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/example/properties_directory/structural/basis/atomic_coordinates.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/example/properties_directory/structural/basis/atomic_element.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/example/properties_directory/structural/basis/bonds.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/example/properties_directory/structural/basis.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/example/properties_directory/structural/density.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/example/properties_directory/structural/elemental_ratio.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/example/properties_directory/structural/inchi.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/example/properties_directory/structural/inchi_key.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/example/properties_directory/structural/lattice/lattice_bravais.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/example/properties_directory/structural/lattice/lattice_vectors.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/example/properties_directory/structural/lattice.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/example/properties_directory/structural/magnetic_moments.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/example/properties_directory/structural/molecular_pattern.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/example/properties_directory/structural/p-norm.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/example/properties_directory/structural/symmetry.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/example/properties_directory/structural/volume.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/example/properties_directory/workflow/convergence/electronic.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/example/properties_directory/workflow/convergence/ionic.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/example/properties_directory/workflow/convergence/kpoint.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/example/property/base.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/example/software/application.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/example/software/executable.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/example/software/flavor.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/example/software/template.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/example/software_directory/ml/exabyteml.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/example/software_directory/ml/unit/execution/evaluate/cross-validate.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/example/software_directory/ml/unit/execution/initialize.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/example/software_directory/ml/unit/execution/score.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/example/software_directory/ml/unit/execution/train.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/example/software_directory/ml/unit/processing/data_transformation/manipulation.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/example/software_directory/ml/unit/processing/data_transformation/scale_and_reduce.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/example/software_directory/ml/unit/processing/feature_selection/filter_based.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/example/software_directory/modeling/espresso/arguments.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/example/software_directory/modeling/espresso.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/example/software_directory/modeling/nwchem.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/example/software_directory/modeling/unit/execution.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/example/software_directory/modeling/vasp.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/example/software_directory/scripting/jupyter-lab.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/example/software_directory/scripting/python.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/example/software_directory/scripting/shell.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/example/software_directory/scripting/unit/execution.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/example/system/_material.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/example/system/_parent_job.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/example/system/_project.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/example/system/consistency_check.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/example/system/creator.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/example/system/entity_reference.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/example/system/file_source.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/example/system/iframe_message.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/example/system/message.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/example/system/owner.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/example/workflow/subworkflow.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/example/workflow/unit/assignment.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/example/workflow/unit/condition.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/example/workflow/unit/execution.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/example/workflow/unit/input/_inputItemScope.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/example/workflow/unit/io/api.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/example/workflow/unit/io/db.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/example/workflow/unit/io/object_storage.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/example/workflow/unit/io.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/example/workflow/unit/map.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/example/workflow/unit/processing.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/example/workflow/unit/reduce.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/example/workflow/unit/runtime/runtime_items.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/example/workflow.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/manifest/dft_unit_functionals.yaml +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/manifest/functional_lookup_table.yaml +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/manifest/models.yaml +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/manifest/properties.yaml +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/modules.d.ts +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/npmignore +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/package.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/pyproject.toml +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/3pse/db/nist_jarvis/2024.3.13/atoms.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/3pse/db/nist_jarvis/2024.3.13/db_entry.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/3pse/file/applications/espresso/7.2/pw.x/atomic_positions.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/3pse/file/applications/espresso/7.2/pw.x/atomic_species.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/3pse/file/applications/espresso/7.2/pw.x/cell.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/3pse/file/applications/espresso/7.2/pw.x/cell_parameters.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/3pse/file/applications/espresso/7.2/pw.x/control.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/3pse/file/applications/espresso/7.2/pw.x/electrons.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/3pse/file/applications/espresso/7.2/pw.x/hubbard.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/3pse/file/applications/espresso/7.2/pw.x/ions.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/3pse/file/applications/espresso/7.2/pw.x/k_points.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/3pse/file/applications/espresso/7.2/pw.x/system.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/3pse/file/applications/espresso/7.2/pw.x.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/core/abstract/2d_data.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/core/abstract/2d_plot.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/core/abstract/3d_grid.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/core/abstract/3d_tensor.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/core/abstract/3d_vector_basis.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/core/abstract/point.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/core/abstract/vector.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/core/primitive/1d_data_series.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/core/primitive/3d_lattice.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/core/primitive/array_of_3_booleans.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/core/primitive/array_of_3_numbers.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/core/primitive/array_of_ids.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/core/primitive/array_of_strings.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/core/primitive/axis.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/core/primitive/group_info.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/core/primitive/integer_one_or_zero.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/core/primitive/linked_list/base_node.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/core/primitive/linked_list/named_node.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/core/primitive/linked_list/named_node_in_group.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/core/primitive/linked_list/node_with_type.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/core/primitive/linked_list.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/core/primitive/scalar.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/core/primitive/slugified_entry.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/core/primitive/slugified_entry_or_slug.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/core/primitive/string.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/core/reference/exabyte.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/core/reference/experiment/condition.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/core/reference/experiment/location.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/core/reference/experiment.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/core/reference/literature/name.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/core/reference/literature/pages.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/core/reference/literature.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/core/reference/modeling/exabyte.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/core/reference/modeling.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/core/reference.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/core/reusable/atomic_data/per_orbital.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/core/reusable/atomic_data/per_orbital_pair.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/core/reusable/atomic_data/value_number.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/core/reusable/atomic_data/value_string.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/core/reusable/atomic_data_per_orbital_numeric.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/core/reusable/atomic_data_per_orbital_pair_numeric.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/core/reusable/atomic_orbital.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/core/reusable/atomic_scalars.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/core/reusable/atomic_strings.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/core/reusable/atomic_vectors.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/core/reusable/band_gap.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/core/reusable/categories.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/core/reusable/category_path.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/core/reusable/dielectric_tensor_component.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/core/reusable/energy.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/core/reusable/file_metadata.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/core/reusable/frequency_function_matrix.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/core/reusable/object_storage_container_data.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/definitions/units.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/element.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/in_memory_entity/base.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/in_memory_entity/defaultable.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/in_memory_entity/named.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/in_memory_entity/named_defaultable.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/in_memory_entity/named_defaultable_has_metadata.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/in_memory_entity/named_defaultable_runtime_items.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/job/base.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/job/compute.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/job.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/material/conventional.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/material.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/method/categorized_method.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/method/method_parameters.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/method/unit_method.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/method.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/methods_category/mathematical/diff/enum_options.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/methods_category/mathematical/diff/enum_options.yml +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/methods_category/mathematical/diff/fd.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/methods_category/mathematical/diff.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/methods_category/mathematical/discr/enum_options.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/methods_category/mathematical/discr/enum_options.yml +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/methods_category/mathematical/discr/mesh/enum_options.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/methods_category/mathematical/discr/mesh/enum_options.yml +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/methods_category/mathematical/discr/mesh/hybrid.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/methods_category/mathematical/discr/mesh/nstruct.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/methods_category/mathematical/discr/mesh/struct/cartesian.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/methods_category/mathematical/discr/mesh/struct/enum_options.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/methods_category/mathematical/discr/mesh/struct/enum_options.yml +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/methods_category/mathematical/discr/mesh/struct.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/methods_category/mathematical/discr/mesh.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/methods_category/mathematical/discr.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/methods_category/mathematical/enum_options.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/methods_category/mathematical/enum_options.yml +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/methods_category/mathematical/fapprx/basisexp.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/methods_category/mathematical/fapprx/enum_options.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/methods_category/mathematical/fapprx/enum_options.yml +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/methods_category/mathematical/fapprx/ipol/enum_options.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/methods_category/mathematical/fapprx/ipol/enum_options.yml +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/methods_category/mathematical/fapprx/ipol/lin.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/methods_category/mathematical/fapprx/ipol/poly.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/methods_category/mathematical/fapprx/ipol/spline.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/methods_category/mathematical/fapprx/ipol.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/methods_category/mathematical/fapprx.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/methods_category/mathematical/intgr/analytic/enum_options.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/methods_category/mathematical/intgr/analytic/enum_options.yml +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/methods_category/mathematical/intgr/analytic/volume.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/methods_category/mathematical/intgr/analytic.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/methods_category/mathematical/intgr/diffeq/enum_options.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/methods_category/mathematical/intgr/diffeq/enum_options.yml +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/methods_category/mathematical/intgr/diffeq/order1.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/methods_category/mathematical/intgr/diffeq/order2.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/methods_category/mathematical/intgr/diffeq.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/methods_category/mathematical/intgr/enum_options.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/methods_category/mathematical/intgr/enum_options.yml +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/methods_category/mathematical/intgr/numquad/enum_options.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/methods_category/mathematical/intgr/numquad/enum_options.yml +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/methods_category/mathematical/intgr/numquad/gauss.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/methods_category/mathematical/intgr/numquad/newcot.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/methods_category/mathematical/intgr/numquad.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/methods_category/mathematical/intgr/transf/enum_options.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/methods_category/mathematical/intgr/transf/enum_options.yml +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/methods_category/mathematical/intgr/transf/fourier.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/methods_category/mathematical/intgr/transf.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/methods_category/mathematical/intgr.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/methods_category/mathematical/linalg/dcomp.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/methods_category/mathematical/linalg/diag/davidson.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/methods_category/mathematical/linalg/diag/enum_options.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/methods_category/mathematical/linalg/diag/enum_options.yml +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/methods_category/mathematical/linalg/diag.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/methods_category/mathematical/linalg/enum_options.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/methods_category/mathematical/linalg/enum_options.yml +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/methods_category/mathematical/linalg/lintra.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/methods_category/mathematical/linalg/matf.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/methods_category/mathematical/linalg.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/methods_category/mathematical/opt/diff/bracket.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/methods_category/mathematical/opt/diff/enum_options.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/methods_category/mathematical/opt/diff/enum_options.yml +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/methods_category/mathematical/opt/diff/local.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/methods_category/mathematical/opt/diff/order1.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/methods_category/mathematical/opt/diff/order2.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/methods_category/mathematical/opt/diff/ordern/cg.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/methods_category/mathematical/opt/diff/ordern/enum_options.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/methods_category/mathematical/opt/diff/ordern/enum_options.yml +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/methods_category/mathematical/opt/diff/ordern.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/methods_category/mathematical/opt/diff.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/methods_category/mathematical/opt/enum_options.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/methods_category/mathematical/opt/enum_options.yml +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/methods_category/mathematical/opt/ndiff/direct.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/methods_category/mathematical/opt/ndiff/enum_options.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/methods_category/mathematical/opt/ndiff/enum_options.yml +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/methods_category/mathematical/opt/ndiff/pop.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/methods_category/mathematical/opt/ndiff/stoch.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/methods_category/mathematical/opt/ndiff.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/methods_category/mathematical/opt/root/bracket.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/methods_category/mathematical/opt/root/enum_options.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/methods_category/mathematical/opt/root/enum_options.yml +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/methods_category/mathematical/opt/root/iter.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/methods_category/mathematical/opt/root.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/methods_category/mathematical/opt.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/methods_category/mathematical/regression.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/methods_category/physical/enum_options.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/methods_category/physical/enum_options.yml +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/methods_category/physical/qm/enum_options.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/methods_category/physical/qm/enum_options.yml +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/methods_category/physical/qm/wf/ao/dunning.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/methods_category/physical/qm/wf/ao/other.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/methods_category/physical/qm/wf/ao/pople.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/methods_category/physical/qm/wf/ao.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/methods_category/physical/qm/wf/enum_options.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/methods_category/physical/qm/wf/enum_options.yml +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/methods_category/physical/qm/wf/psp.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/methods_category/physical/qm/wf/pw.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/methods_category/physical/qm/wf/smearing.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/methods_category/physical/qm/wf/tetrahedron.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/methods_category/physical/qm/wf.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/methods_category/physical/qm.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/methods_directory/legacy/localorbital.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/methods_directory/legacy/pseudopotential.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/methods_directory/legacy/regression.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/methods_directory/legacy/unknown.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/methods_directory/mathematical/cg.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/methods_directory/mathematical/davidson.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/methods_directory/mathematical/regression/data.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/methods_directory/mathematical/regression/dataset.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/methods_directory/mathematical/regression/kernel_ridge/data_per_property.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/methods_directory/mathematical/regression/linear/data_per_property.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/methods_directory/mathematical/regression/per_feature_item.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/methods_directory/mathematical/regression/precision.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/methods_directory/mathematical/regression/precision_per_property.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/methods_directory/mathematical/regression.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/methods_directory/physical/ao/dunning.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/methods_directory/physical/ao/enum_options.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/methods_directory/physical/ao/enum_options.yml +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/methods_directory/physical/ao/other.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/methods_directory/physical/ao/pople.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/methods_directory/physical/psp/file.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/methods_directory/physical/psp/file_data_item.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/methods_directory/physical/psp.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/methods_directory/physical/pw.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/methods_directory/physical/smearing.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/methods_directory/physical/tetrahedron.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/model/categorized_model.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/model/mixins/dft/double_hybrid_functional.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/model/mixins/dft/enum_options.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/model/mixins/dft/enum_options.yml +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/model/mixins/dft/gga_functional.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/model/mixins/dft/hybrid_functional.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/model/mixins/dft/lda_functional.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/model/mixins/dft/mgga_functional.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/model/mixins/dispersion_correction.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/model/mixins/enum_options.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/model/mixins/enum_options.yml +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/model/mixins/hubbard.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/model/mixins/spin_orbit_coupling.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/model/mixins/spin_polarization.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/model/model_parameters.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/model/model_without_method.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/model.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/models_category/enum_options.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/models_category/enum_options.yml +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/models_category/pb/enum_options.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/models_category/pb/enum_options.yml +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/models_category/pb/qm/abin/enum_options.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/models_category/pb/qm/abin/enum_options.yml +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/models_category/pb/qm/abin/gw.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/models_category/pb/qm/abin.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/models_category/pb/qm/dft/enum_options.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/models_category/pb/qm/dft/enum_options.yml +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/models_category/pb/qm/dft/ksdft/double_hybrid.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/models_category/pb/qm/dft/ksdft/enum_options.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/models_category/pb/qm/dft/ksdft/enum_options.yml +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/models_category/pb/qm/dft/ksdft/gga.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/models_category/pb/qm/dft/ksdft/hybrid.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/models_category/pb/qm/dft/ksdft/lda.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/models_category/pb/qm/dft/ksdft/mgga.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/models_category/pb/qm/dft/ksdft.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/models_category/pb/qm/dft.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/models_category/pb/qm/enum_options.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/models_category/pb/qm/enum_options.yml +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/models_category/pb/qm/semp.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/models_category/pb/qm.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/models_category/pb.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/models_category/st/det/enum_options.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/models_category/st/det/enum_options.yml +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/models_category/st/det/ml/enum_options.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/models_category/st/det/ml/enum_options.yml +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/models_category/st/det/ml/re.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/models_category/st/det/ml.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/models_category/st/det.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/models_category/st/enum_options.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/models_category/st/enum_options.yml +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/models_category/st.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/models_directory/double_hybrid.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/models_directory/gga.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/models_directory/gw.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/models_directory/hybrid.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/models_directory/lda.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/models_directory/legacy/dft.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/models_directory/legacy/ml.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/models_directory/legacy/unknown.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/models_directory/mgga.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/models_directory/re.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/project.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/properties_directory/derived_properties.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/properties_directory/electronic_configuration.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/properties_directory/elemental/atomic_radius.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/properties_directory/elemental/electronegativity.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/properties_directory/elemental/ionization_potential.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/properties_directory/non-scalar/average_potential_profile.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/properties_directory/non-scalar/band_gaps.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/properties_directory/non-scalar/band_structure.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/properties_directory/non-scalar/charge_density_profile.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/properties_directory/non-scalar/density_of_states.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/properties_directory/non-scalar/dielectric_tensor.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/properties_directory/non-scalar/file_content.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/properties_directory/non-scalar/hubbard_u.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/properties_directory/non-scalar/hubbard_v.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/properties_directory/non-scalar/hubbard_v_nn.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/properties_directory/non-scalar/phonon_dispersions.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/properties_directory/non-scalar/phonon_dos.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/properties_directory/non-scalar/potential_profile.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/properties_directory/non-scalar/reaction_energy_profile.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/properties_directory/non-scalar/stress_tensor.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/properties_directory/non-scalar/total_energy_contributions.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/properties_directory/non-scalar/vibrational_spectrum.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/properties_directory/scalar/electron_affinity.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/properties_directory/scalar/fermi_energy.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/properties_directory/scalar/formation_energy.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/properties_directory/scalar/ionization_potential.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/properties_directory/scalar/pressure.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/properties_directory/scalar/reaction_energy_barrier.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/properties_directory/scalar/surface_energy.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/properties_directory/scalar/total_energy.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/properties_directory/scalar/total_force.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/properties_directory/scalar/valence_band_offset.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/properties_directory/scalar/zero_point_energy.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/properties_directory/structural/atomic_forces.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/properties_directory/structural/basis/atomic_constraints.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/properties_directory/structural/basis/atomic_coordinate.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/properties_directory/structural/basis/atomic_coordinates.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/properties_directory/structural/basis/atomic_element.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/properties_directory/structural/basis/bonds.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/properties_directory/structural/density.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/properties_directory/structural/elemental_ratio.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/properties_directory/structural/inchi.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/properties_directory/structural/inchi_key.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/properties_directory/structural/lattice/lattice_bravais.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/properties_directory/structural/lattice/lattice_vectors.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/properties_directory/structural/lattice/type_enum.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/properties_directory/structural/lattice/type_extended_enum.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/properties_directory/structural/lattice.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/properties_directory/structural/magnetic_moments.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/properties_directory/structural/molecular_pattern.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/properties_directory/structural/p-norm.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/properties_directory/structural/patterns/functional_group.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/properties_directory/structural/patterns/ring.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/properties_directory/structural/patterns/special_bond.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/properties_directory/structural/symmetry.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/properties_directory/structural/volume.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/properties_directory/workflow/convergence/electronic.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/properties_directory/workflow/convergence/ionic.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/properties_directory/workflow/convergence/kpoint.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/property/base.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/property/meta.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/property/raw.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/property/source.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/software/application.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/software/executable.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/software/flavor.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/software/template.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/software_directory/ml/exabyteml.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/software_directory/ml/unit/execution/evaluate/cross-validate.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/software_directory/ml/unit/execution/initialize.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/software_directory/ml/unit/execution/score.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/software_directory/ml/unit/execution/train.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/software_directory/ml/unit/execution.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/software_directory/ml/unit/processing/data_transformation/manipulation.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/software_directory/ml/unit/processing/data_transformation/scale_and_reduce.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/software_directory/ml/unit/processing/data_transformation.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/software_directory/ml/unit/processing/feature_selection/filter_based.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/software_directory/ml/unit/processing/feature_selection.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/software_directory/ml/unit/processing.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/software_directory/modeling/deepmd.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/software_directory/modeling/espresso/arguments.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/software_directory/modeling/espresso.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/software_directory/modeling/nwchem.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/software_directory/modeling/unit/execution.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/software_directory/modeling/vasp.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/software_directory/scripting/jupyter-lab.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/software_directory/scripting/python.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/software_directory/scripting/shell.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/software_directory/scripting/unit/execution.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/system/_material.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/system/_parent_job.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/system/_project.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/system/bankable.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/system/consistency_check.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/system/creator.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/system/creator_account.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/system/database_source.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/system/defaultable.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/system/description.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/system/entity_reference.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/system/file_source.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/system/history.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/system/iframe_message.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/system/in_set.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/system/is_multi_material.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/system/is_outdated.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/system/job_extended.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/system/message.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/system/metadata.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/system/name.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/system/owner.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/system/path.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/system/path_entity.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/system/schema_version.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/system/scope.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/system/set.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/system/sharing.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/system/soft_removable.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/system/status.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/system/tags.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/system/timestampable.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/system/use_values.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/workflow/base.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/workflow/base_flow.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/workflow/scope.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/workflow/subworkflow/unit.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/workflow/subworkflow.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/workflow/unit/assertion.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/workflow/unit/assignment.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/workflow/unit/base.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/workflow/unit/condition.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/workflow/unit/execution.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/workflow/unit/input/_input.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/workflow/unit/input/_inputItem.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/workflow/unit/input/_inputItemId.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/workflow/unit/input/_inputItemScope.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/workflow/unit/input/_map_input/values.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/workflow/unit/input/_map_input.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/workflow/unit/io/api.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/workflow/unit/io/db.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/workflow/unit/io/object_storage.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/workflow/unit/io.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/workflow/unit/map.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/workflow/unit/processing.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/workflow/unit/reduce.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/workflow/unit/runtime/_runtime_item_full_object.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/workflow/unit/runtime/_runtime_item_name_object.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/workflow/unit/runtime/_runtime_item_string.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/workflow/unit/runtime/runtime_item.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/workflow/unit/runtime/runtime_items.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/workflow/unit/subworkflow.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/workflow/unit.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/schema/workflow.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/set_schema_ids.ts +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/setup.cfg +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/src/__init__.py +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/src/js/esse/JSONSchemasGenerator.ts +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/src/js/esse/JSONSchemasInterface.ts +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/src/js/esse/JSONSchemasInterfaceServer.ts +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/src/js/esse/schemaUtils.ts +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/src/js/esse/settings.ts +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/src/js/esse/types.ts +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/src/js/esse/utils.ts +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/src/js/json_include/index.ts +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/src/js/json_include/settings.ts +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/src/js/scripts/compileTs.ts +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/src/js/scripts/createEnumsFromYaml.ts +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/src/js/scripts/setSchemaIds.ts +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/src/js/utils/ajv.ts +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/src/js/utils/common.ts +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/src/js/utils/filesystem.ts +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/src/py/__init__.py +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/src/py/mat3ra/__init__.py +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/src/py/mat3ra/esse/__init__.py +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/src/py/mat3ra/esse/data/__init__.py +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/src/py/mat3ra/esse/data/examples.py +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/src/py/mat3ra/esse/data/properties.py +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/src/py/mat3ra/esse/utils.py +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/src/py/mat3ra_esse.egg-info/SOURCES.txt +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/src/py/mat3ra_esse.egg-info/dependency_links.txt +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/src/py/mat3ra_esse.egg-info/requires.txt +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/src/py/mat3ra_esse.egg-info/top_level.txt +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/tests/js/JSONSchemasInterface.tests.ts +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/tests/js/fixtures/json/1.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/tests/js/fixtures/json/2.json +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/tests/js/validate.ts +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/tests/py/__init__.py +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/tests/py/esse/__init__.py +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/tests/py/esse/test_validate.py +0 -0
- {mat3ra-esse-2024.3.19.post0 → mat3ra-esse-2024.3.20.post0}/tsconfig.json +0 -0
|
@@ -1545,8 +1545,7 @@
|
|
|
1545
1545
|
"@types/js-yaml": {
|
|
1546
1546
|
"version": "4.0.9",
|
|
1547
1547
|
"resolved": "https://registry.npmjs.org/@types/js-yaml/-/js-yaml-4.0.9.tgz",
|
|
1548
|
-
"integrity": "sha512-k4MGaQl5TGo/iipqb2UDG2UwjXziSWkh0uysQelTlJpX1qGlpUZYm8PnO4DxG1qBomtJUdYJ6qR6xdIah10JLg=="
|
|
1549
|
-
"dev": true
|
|
1548
|
+
"integrity": "sha512-k4MGaQl5TGo/iipqb2UDG2UwjXziSWkh0uysQelTlJpX1qGlpUZYm8PnO4DxG1qBomtJUdYJ6qR6xdIah10JLg=="
|
|
1550
1549
|
},
|
|
1551
1550
|
"@types/json-schema": {
|
|
1552
1551
|
"version": "7.0.15",
|
|
@@ -10,6 +10,20 @@
|
|
|
10
10
|
"$ref": "basis/atomic_element.json"
|
|
11
11
|
}
|
|
12
12
|
},
|
|
13
|
+
"labels": {
|
|
14
|
+
"description": "Optional numeric label (e.g., 1, 2, as in Fe1, Fe2) to distinguish same atomic species to attach different spin magnetic moment.",
|
|
15
|
+
"type": "array",
|
|
16
|
+
"items": {
|
|
17
|
+
"properties": {
|
|
18
|
+
"id": {
|
|
19
|
+
"type": "number"
|
|
20
|
+
},
|
|
21
|
+
"value": {
|
|
22
|
+
"type": "number"
|
|
23
|
+
}
|
|
24
|
+
}
|
|
25
|
+
}
|
|
26
|
+
},
|
|
13
27
|
"coordinates": {
|
|
14
28
|
"type": "array",
|
|
15
29
|
"items": {
|