mat3ra-esse 2024.3.25.post2__tar.gz → 2024.3.25.post5__tar.gz
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- {mat3ra-esse-2024.3.25.post2 → mat3ra-esse-2024.3.25.post5}/.github/workflows/cicd.yml +2 -1
- {mat3ra-esse-2024.3.25.post2 → mat3ra-esse-2024.3.25.post5}/PKG-INFO +1 -1
- {mat3ra-esse-2024.3.25.post2 → mat3ra-esse-2024.3.25.post5}/package-lock.json +3 -3
- {mat3ra-esse-2024.3.25.post2 → mat3ra-esse-2024.3.25.post5}/package.json +1 -2
- {mat3ra-esse-2024.3.25.post2 → mat3ra-esse-2024.3.25.post5}/src/py/mat3ra_esse.egg-info/PKG-INFO +1 -1
- {mat3ra-esse-2024.3.25.post2 → mat3ra-esse-2024.3.25.post5}/.babelrc +0 -0
- {mat3ra-esse-2024.3.25.post2 → mat3ra-esse-2024.3.25.post5}/.eslintrc.json +0 -0
- {mat3ra-esse-2024.3.25.post2 → mat3ra-esse-2024.3.25.post5}/.gitignore +0 -0
- {mat3ra-esse-2024.3.25.post2 → mat3ra-esse-2024.3.25.post5}/.husky/pre-commit +0 -0
- {mat3ra-esse-2024.3.25.post2 → mat3ra-esse-2024.3.25.post5}/.mocharc.json +0 -0
- {mat3ra-esse-2024.3.25.post2 → mat3ra-esse-2024.3.25.post5}/.pre-commit-config.yaml +0 -0
- {mat3ra-esse-2024.3.25.post2 → mat3ra-esse-2024.3.25.post5}/.prettierrc +0 -0
- {mat3ra-esse-2024.3.25.post2 → mat3ra-esse-2024.3.25.post5}/LICENSE.md +0 -0
- {mat3ra-esse-2024.3.25.post2 → mat3ra-esse-2024.3.25.post5}/README.md +0 -0
- {mat3ra-esse-2024.3.25.post2 → mat3ra-esse-2024.3.25.post5}/build_schemas.py +0 -0
- {mat3ra-esse-2024.3.25.post2 → mat3ra-esse-2024.3.25.post5}/build_schemas.ts +0 -0
- {mat3ra-esse-2024.3.25.post2 → mat3ra-esse-2024.3.25.post5}/compile_ts.ts +0 -0
- {mat3ra-esse-2024.3.25.post2 → mat3ra-esse-2024.3.25.post5}/docs/README.md +0 -0
- {mat3ra-esse-2024.3.25.post2 → mat3ra-esse-2024.3.25.post5}/example/3pse/db/nist_jarvis/2024.3.13/db_entry.json +0 -0
- {mat3ra-esse-2024.3.25.post2 → mat3ra-esse-2024.3.25.post5}/example/3pse/file/applications/espresso/7.2/pw.x.json +0 -0
- {mat3ra-esse-2024.3.25.post2 → mat3ra-esse-2024.3.25.post5}/example/core/abstract/2d_data.json +0 -0
- {mat3ra-esse-2024.3.25.post2 → mat3ra-esse-2024.3.25.post5}/example/core/abstract/2d_plot.json +0 -0
- {mat3ra-esse-2024.3.25.post2 → mat3ra-esse-2024.3.25.post5}/example/core/abstract/3d_grid.json +0 -0
- {mat3ra-esse-2024.3.25.post2 → mat3ra-esse-2024.3.25.post5}/example/core/abstract/3d_tensor.json +0 -0
- {mat3ra-esse-2024.3.25.post2 → mat3ra-esse-2024.3.25.post5}/example/core/abstract/3d_vector_basis.json +0 -0
- {mat3ra-esse-2024.3.25.post2 → mat3ra-esse-2024.3.25.post5}/example/core/abstract/point.json +0 -0
- {mat3ra-esse-2024.3.25.post2 → mat3ra-esse-2024.3.25.post5}/example/core/abstract/vector.json +0 -0
- {mat3ra-esse-2024.3.25.post2 → mat3ra-esse-2024.3.25.post5}/example/core/primitive/1d_data_series.json +0 -0
- {mat3ra-esse-2024.3.25.post2 → mat3ra-esse-2024.3.25.post5}/example/core/primitive/3d_lattice.json +0 -0
- {mat3ra-esse-2024.3.25.post2 → mat3ra-esse-2024.3.25.post5}/example/core/primitive/array_of_3_booleans.json +0 -0
- {mat3ra-esse-2024.3.25.post2 → mat3ra-esse-2024.3.25.post5}/example/core/primitive/array_of_3_numbers.json +0 -0
- {mat3ra-esse-2024.3.25.post2 → mat3ra-esse-2024.3.25.post5}/example/core/primitive/array_of_ids.json +0 -0
- {mat3ra-esse-2024.3.25.post2 → mat3ra-esse-2024.3.25.post5}/example/core/primitive/axis.json +0 -0
- {mat3ra-esse-2024.3.25.post2 → mat3ra-esse-2024.3.25.post5}/example/core/primitive/scalar.json +0 -0
- {mat3ra-esse-2024.3.25.post2 → mat3ra-esse-2024.3.25.post5}/example/core/primitive/string.json +0 -0
- {mat3ra-esse-2024.3.25.post2 → mat3ra-esse-2024.3.25.post5}/example/core/reference/experiment/condition.json +0 -0
- {mat3ra-esse-2024.3.25.post2 → mat3ra-esse-2024.3.25.post5}/example/core/reference/experiment/location.json +0 -0
- {mat3ra-esse-2024.3.25.post2 → mat3ra-esse-2024.3.25.post5}/example/core/reference/experiment.json +0 -0
- {mat3ra-esse-2024.3.25.post2 → mat3ra-esse-2024.3.25.post5}/example/core/reference/literature/name.json +0 -0
- {mat3ra-esse-2024.3.25.post2 → mat3ra-esse-2024.3.25.post5}/example/core/reference/literature/pages.json +0 -0
- {mat3ra-esse-2024.3.25.post2 → mat3ra-esse-2024.3.25.post5}/example/core/reference/literature.json +0 -0
- {mat3ra-esse-2024.3.25.post2 → mat3ra-esse-2024.3.25.post5}/example/core/reference/modeling/exabyte.json +0 -0
- {mat3ra-esse-2024.3.25.post2 → mat3ra-esse-2024.3.25.post5}/example/core/reference/modeling.json +0 -0
- {mat3ra-esse-2024.3.25.post2 → mat3ra-esse-2024.3.25.post5}/example/core/reference.json +0 -0
- {mat3ra-esse-2024.3.25.post2 → mat3ra-esse-2024.3.25.post5}/example/core/reusable/atomic_vectors.json +0 -0
- {mat3ra-esse-2024.3.25.post2 → mat3ra-esse-2024.3.25.post5}/example/core/reusable/band_gap.json +0 -0
- {mat3ra-esse-2024.3.25.post2 → mat3ra-esse-2024.3.25.post5}/example/core/reusable/energy.json +0 -0
- {mat3ra-esse-2024.3.25.post2 → mat3ra-esse-2024.3.25.post5}/example/core/reusable/file_metadata.json +0 -0
- {mat3ra-esse-2024.3.25.post2 → mat3ra-esse-2024.3.25.post5}/example/core/reusable/object_storage_container_data.json +0 -0
- {mat3ra-esse-2024.3.25.post2 → mat3ra-esse-2024.3.25.post5}/example/element.json +0 -0
- {mat3ra-esse-2024.3.25.post2 → mat3ra-esse-2024.3.25.post5}/example/job/compute.json +0 -0
- {mat3ra-esse-2024.3.25.post2 → mat3ra-esse-2024.3.25.post5}/example/job.json +0 -0
- {mat3ra-esse-2024.3.25.post2 → mat3ra-esse-2024.3.25.post5}/example/material.json +0 -0
- {mat3ra-esse-2024.3.25.post2 → mat3ra-esse-2024.3.25.post5}/example/method/categorized_method.json +0 -0
- {mat3ra-esse-2024.3.25.post2 → mat3ra-esse-2024.3.25.post5}/example/method/method_parameters.json +0 -0
- {mat3ra-esse-2024.3.25.post2 → mat3ra-esse-2024.3.25.post5}/example/method.json +0 -0
- {mat3ra-esse-2024.3.25.post2 → mat3ra-esse-2024.3.25.post5}/example/methods_directory/legacy/localorbital.json +0 -0
- {mat3ra-esse-2024.3.25.post2 → mat3ra-esse-2024.3.25.post5}/example/methods_directory/legacy/pseudopotential.json +0 -0
- {mat3ra-esse-2024.3.25.post2 → mat3ra-esse-2024.3.25.post5}/example/methods_directory/legacy/regression.json +0 -0
- {mat3ra-esse-2024.3.25.post2 → mat3ra-esse-2024.3.25.post5}/example/methods_directory/legacy/unknown.json +0 -0
- {mat3ra-esse-2024.3.25.post2 → mat3ra-esse-2024.3.25.post5}/example/methods_directory/mathematical/cg.json +0 -0
- {mat3ra-esse-2024.3.25.post2 → mat3ra-esse-2024.3.25.post5}/example/methods_directory/mathematical/regression.json +0 -0
- {mat3ra-esse-2024.3.25.post2 → mat3ra-esse-2024.3.25.post5}/example/methods_directory/physical/ao/dunning.json +0 -0
- {mat3ra-esse-2024.3.25.post2 → mat3ra-esse-2024.3.25.post5}/example/methods_directory/physical/psp/file.json +0 -0
- {mat3ra-esse-2024.3.25.post2 → mat3ra-esse-2024.3.25.post5}/example/methods_directory/physical/psp.json +0 -0
- {mat3ra-esse-2024.3.25.post2 → mat3ra-esse-2024.3.25.post5}/example/methods_directory/physical/pw.json +0 -0
- {mat3ra-esse-2024.3.25.post2 → mat3ra-esse-2024.3.25.post5}/example/methods_directory/physical/smearing.json +0 -0
- {mat3ra-esse-2024.3.25.post2 → mat3ra-esse-2024.3.25.post5}/example/methods_directory/physical/tetrahedron.json +0 -0
- {mat3ra-esse-2024.3.25.post2 → mat3ra-esse-2024.3.25.post5}/example/model/categorized_model.json +0 -0
- {mat3ra-esse-2024.3.25.post2 → mat3ra-esse-2024.3.25.post5}/example/model/model_parameters.json +0 -0
- {mat3ra-esse-2024.3.25.post2 → mat3ra-esse-2024.3.25.post5}/example/model.json +0 -0
- {mat3ra-esse-2024.3.25.post2 → mat3ra-esse-2024.3.25.post5}/example/models_category/pb/qm/abin/gw.json +0 -0
- {mat3ra-esse-2024.3.25.post2 → mat3ra-esse-2024.3.25.post5}/example/models_category/pb/qm/dft/ksdft.json +0 -0
- {mat3ra-esse-2024.3.25.post2 → mat3ra-esse-2024.3.25.post5}/example/models_category/pb/qm/semp.json +0 -0
- {mat3ra-esse-2024.3.25.post2 → mat3ra-esse-2024.3.25.post5}/example/models_directory/gga.json +0 -0
- {mat3ra-esse-2024.3.25.post2 → mat3ra-esse-2024.3.25.post5}/example/models_directory/gw.json +0 -0
- {mat3ra-esse-2024.3.25.post2 → mat3ra-esse-2024.3.25.post5}/example/models_directory/hybrid.json +0 -0
- {mat3ra-esse-2024.3.25.post2 → mat3ra-esse-2024.3.25.post5}/example/models_directory/lda.json +0 -0
- {mat3ra-esse-2024.3.25.post2 → mat3ra-esse-2024.3.25.post5}/example/models_directory/legacy/dft.json +0 -0
- {mat3ra-esse-2024.3.25.post2 → mat3ra-esse-2024.3.25.post5}/example/models_directory/legacy/ml.json +0 -0
- {mat3ra-esse-2024.3.25.post2 → mat3ra-esse-2024.3.25.post5}/example/models_directory/legacy/unknown.json +0 -0
- {mat3ra-esse-2024.3.25.post2 → mat3ra-esse-2024.3.25.post5}/example/models_directory/re.json +0 -0
- {mat3ra-esse-2024.3.25.post2 → mat3ra-esse-2024.3.25.post5}/example/project.json +0 -0
- {mat3ra-esse-2024.3.25.post2 → mat3ra-esse-2024.3.25.post5}/example/properties_directory/electronic_configuration.json +0 -0
- {mat3ra-esse-2024.3.25.post2 → mat3ra-esse-2024.3.25.post5}/example/properties_directory/elemental/atomic_radius.json +0 -0
- {mat3ra-esse-2024.3.25.post2 → mat3ra-esse-2024.3.25.post5}/example/properties_directory/elemental/electronegativity.json +0 -0
- {mat3ra-esse-2024.3.25.post2 → mat3ra-esse-2024.3.25.post5}/example/properties_directory/elemental/ionization_potential.json +0 -0
- {mat3ra-esse-2024.3.25.post2 → mat3ra-esse-2024.3.25.post5}/example/properties_directory/non-scalar/band_gaps.json +0 -0
- {mat3ra-esse-2024.3.25.post2 → mat3ra-esse-2024.3.25.post5}/example/properties_directory/non-scalar/band_structure.json +0 -0
- {mat3ra-esse-2024.3.25.post2 → mat3ra-esse-2024.3.25.post5}/example/properties_directory/non-scalar/charge_density_profile.json +0 -0
- {mat3ra-esse-2024.3.25.post2 → mat3ra-esse-2024.3.25.post5}/example/properties_directory/non-scalar/density_of_states.json +0 -0
- {mat3ra-esse-2024.3.25.post2 → mat3ra-esse-2024.3.25.post5}/example/properties_directory/non-scalar/dielectric_tensor.json +0 -0
- {mat3ra-esse-2024.3.25.post2 → mat3ra-esse-2024.3.25.post5}/example/properties_directory/non-scalar/file_content.json +0 -0
- {mat3ra-esse-2024.3.25.post2 → mat3ra-esse-2024.3.25.post5}/example/properties_directory/non-scalar/hubbard_u.json +0 -0
- {mat3ra-esse-2024.3.25.post2 → mat3ra-esse-2024.3.25.post5}/example/properties_directory/non-scalar/hubbard_v.json +0 -0
- {mat3ra-esse-2024.3.25.post2 → mat3ra-esse-2024.3.25.post5}/example/properties_directory/non-scalar/hubbard_v_nn.json +0 -0
- {mat3ra-esse-2024.3.25.post2 → mat3ra-esse-2024.3.25.post5}/example/properties_directory/non-scalar/phonon_dispersions.json +0 -0
- {mat3ra-esse-2024.3.25.post2 → mat3ra-esse-2024.3.25.post5}/example/properties_directory/non-scalar/phonon_dos.json +0 -0
- {mat3ra-esse-2024.3.25.post2 → mat3ra-esse-2024.3.25.post5}/example/properties_directory/non-scalar/potential_profile.json +0 -0
- {mat3ra-esse-2024.3.25.post2 → mat3ra-esse-2024.3.25.post5}/example/properties_directory/non-scalar/reaction_energy_profile.json +0 -0
- {mat3ra-esse-2024.3.25.post2 → mat3ra-esse-2024.3.25.post5}/example/properties_directory/non-scalar/stress_tensor.json +0 -0
- {mat3ra-esse-2024.3.25.post2 → mat3ra-esse-2024.3.25.post5}/example/properties_directory/non-scalar/total_energy_contributions.json +0 -0
- {mat3ra-esse-2024.3.25.post2 → mat3ra-esse-2024.3.25.post5}/example/properties_directory/non-scalar/vibrational_spectrum.json +0 -0
- {mat3ra-esse-2024.3.25.post2 → mat3ra-esse-2024.3.25.post5}/example/properties_directory/scalar/electron_affinity.json +0 -0
- {mat3ra-esse-2024.3.25.post2 → mat3ra-esse-2024.3.25.post5}/example/properties_directory/scalar/fermi_energy.json +0 -0
- {mat3ra-esse-2024.3.25.post2 → mat3ra-esse-2024.3.25.post5}/example/properties_directory/scalar/formation_energy.json +0 -0
- {mat3ra-esse-2024.3.25.post2 → mat3ra-esse-2024.3.25.post5}/example/properties_directory/scalar/ionization_potential.json +0 -0
- {mat3ra-esse-2024.3.25.post2 → mat3ra-esse-2024.3.25.post5}/example/properties_directory/scalar/pressure.json +0 -0
- {mat3ra-esse-2024.3.25.post2 → mat3ra-esse-2024.3.25.post5}/example/properties_directory/scalar/reaction_energy_barrier.json +0 -0
- {mat3ra-esse-2024.3.25.post2 → mat3ra-esse-2024.3.25.post5}/example/properties_directory/scalar/surface_energy.json +0 -0
- {mat3ra-esse-2024.3.25.post2 → mat3ra-esse-2024.3.25.post5}/example/properties_directory/scalar/total_energy.json +0 -0
- {mat3ra-esse-2024.3.25.post2 → mat3ra-esse-2024.3.25.post5}/example/properties_directory/scalar/total_force.json +0 -0
- {mat3ra-esse-2024.3.25.post2 → mat3ra-esse-2024.3.25.post5}/example/properties_directory/scalar/valence_band_offset.json +0 -0
- {mat3ra-esse-2024.3.25.post2 → mat3ra-esse-2024.3.25.post5}/example/properties_directory/scalar/zero_point_energy.json +0 -0
- {mat3ra-esse-2024.3.25.post2 → mat3ra-esse-2024.3.25.post5}/example/properties_directory/structural/atomic_forces.json +0 -0
- {mat3ra-esse-2024.3.25.post2 → mat3ra-esse-2024.3.25.post5}/example/properties_directory/structural/basis/atomic_constraints.json +0 -0
- {mat3ra-esse-2024.3.25.post2 → mat3ra-esse-2024.3.25.post5}/example/properties_directory/structural/basis/atomic_coordinate.json +0 -0
- {mat3ra-esse-2024.3.25.post2 → mat3ra-esse-2024.3.25.post5}/example/properties_directory/structural/basis/atomic_coordinates.json +0 -0
- {mat3ra-esse-2024.3.25.post2 → mat3ra-esse-2024.3.25.post5}/example/properties_directory/structural/basis/atomic_element.json +0 -0
- {mat3ra-esse-2024.3.25.post2 → mat3ra-esse-2024.3.25.post5}/example/properties_directory/structural/basis/bonds.json +0 -0
- {mat3ra-esse-2024.3.25.post2 → mat3ra-esse-2024.3.25.post5}/example/properties_directory/structural/basis.json +0 -0
- {mat3ra-esse-2024.3.25.post2 → mat3ra-esse-2024.3.25.post5}/example/properties_directory/structural/density.json +0 -0
- {mat3ra-esse-2024.3.25.post2 → mat3ra-esse-2024.3.25.post5}/example/properties_directory/structural/elemental_ratio.json +0 -0
- {mat3ra-esse-2024.3.25.post2 → mat3ra-esse-2024.3.25.post5}/example/properties_directory/structural/inchi.json +0 -0
- {mat3ra-esse-2024.3.25.post2 → mat3ra-esse-2024.3.25.post5}/example/properties_directory/structural/inchi_key.json +0 -0
- {mat3ra-esse-2024.3.25.post2 → mat3ra-esse-2024.3.25.post5}/example/properties_directory/structural/lattice/lattice_bravais.json +0 -0
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- {mat3ra-esse-2024.3.25.post2 → mat3ra-esse-2024.3.25.post5}/example/properties_directory/structural/magnetic_moments.json +0 -0
- {mat3ra-esse-2024.3.25.post2 → mat3ra-esse-2024.3.25.post5}/example/properties_directory/structural/molecular_pattern.json +0 -0
- {mat3ra-esse-2024.3.25.post2 → mat3ra-esse-2024.3.25.post5}/example/properties_directory/structural/p-norm.json +0 -0
- {mat3ra-esse-2024.3.25.post2 → mat3ra-esse-2024.3.25.post5}/example/properties_directory/structural/symmetry.json +0 -0
- {mat3ra-esse-2024.3.25.post2 → mat3ra-esse-2024.3.25.post5}/example/properties_directory/structural/volume.json +0 -0
- {mat3ra-esse-2024.3.25.post2 → mat3ra-esse-2024.3.25.post5}/example/properties_directory/workflow/convergence/electronic.json +0 -0
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