mat3ra-esse 2025.4.11.post0__py3-none-any.whl → 2025.4.15.post0__py3-none-any.whl
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- mat3ra/esse/data/examples.py +1 -1
- mat3ra/esse/data/schemas.py +1 -1
- mat3ra/esse/models/core/reusable/accuracy_level.py +27 -0
- mat3ra/esse/models/core/reusable/band_gap.py +1 -1
- mat3ra/esse/models/core/reusable/energy.py +1 -1
- mat3ra/esse/models/core/reusable/energy_accuracy_levels/Reusable_schema_for_energy_value_with_unit_corresponding_to_a_specific_accuracy_level__e/__init__.py +3 -0
- mat3ra/esse/models/core/reusable/energy_accuracy_levels/Reusable_schema_for_energy_value_with_unit_corresponding_to_a_specific_accuracy_level__e/g.py +31 -0
- mat3ra/esse/models/core/reusable/energy_accuracy_levels.py +31 -0
- mat3ra/esse/models/core/reusable/scalar_with_accuracy_levels.py +23 -0
- mat3ra/esse/models/element.py +1 -1
- mat3ra/esse/models/methods_directory/physical/psp/Reusable_schema_for_energy_value_with_unit_corresponding_to_a_specific_accuracy_level__e/__init__.py +3 -0
- mat3ra/esse/models/methods_directory/physical/psp/Reusable_schema_for_energy_value_with_unit_corresponding_to_a_specific_accuracy_level__e/g.py +31 -0
- mat3ra/esse/models/methods_directory/physical/psp/__init__.py +23 -1
- mat3ra/esse/models/methods_directory/physical/psp/file/Reusable_schema_for_energy_value_with_unit_corresponding_to_a_specific_accuracy_level__e/__init__.py +3 -0
- mat3ra/esse/models/methods_directory/physical/psp/file/Reusable_schema_for_energy_value_with_unit_corresponding_to_a_specific_accuracy_level__e/g.py +31 -0
- mat3ra/esse/models/methods_directory/physical/psp/file.py +23 -1
- 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 +3 -0
- 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 +31 -0
- mat3ra/esse/models/methods_directory/physical/psp/file_data_item.py +23 -1
- mat3ra/esse/models/properties_directory/elemental/ionization_potential.py +1 -1
- mat3ra/esse/models/properties_directory/non_scalar/average_potential_profile.py +1 -1
- mat3ra/esse/models/properties_directory/non_scalar/band_gaps.py +1 -1
- mat3ra/esse/models/properties_directory/non_scalar/band_structure.py +1 -1
- mat3ra/esse/models/properties_directory/non_scalar/density_of_states.py +1 -1
- mat3ra/esse/models/properties_directory/non_scalar/potential_profile.py +1 -1
- mat3ra/esse/models/properties_directory/non_scalar/reaction_energy_profile.py +1 -1
- mat3ra/esse/models/properties_directory/non_scalar/total_energy_contributions.py +1 -1
- mat3ra/esse/models/properties_directory/scalar/electron_affinity.py +1 -1
- mat3ra/esse/models/properties_directory/scalar/fermi_energy.py +1 -1
- mat3ra/esse/models/properties_directory/scalar/formation_energy.py +1 -1
- mat3ra/esse/models/properties_directory/scalar/ionization_potential.py +1 -1
- mat3ra/esse/models/properties_directory/scalar/reaction_energy_barrier.py +1 -1
- mat3ra/esse/models/properties_directory/scalar/surface_energy.py +1 -1
- mat3ra/esse/models/properties_directory/scalar/total_energy.py +1 -1
- mat3ra/esse/models/properties_directory/scalar/total_force.py +1 -1
- mat3ra/esse/models/properties_directory/scalar/valence_band_offset.py +1 -1
- mat3ra/esse/models/properties_directory/scalar/zero_point_energy.py +1 -1
- mat3ra/esse/models/properties_directory/structural/atomic_forces.py +1 -1
- mat3ra/esse/models/properties_directory/workflow/convergence/electronic.py +1 -1
- mat3ra/esse/models/properties_directory/workflow/convergence/ionic.py +1 -1
- {mat3ra_esse-2025.4.11.post0.dist-info → mat3ra_esse-2025.4.15.post0.dist-info}/METADATA +3 -2
- {mat3ra_esse-2025.4.11.post0.dist-info → mat3ra_esse-2025.4.15.post0.dist-info}/RECORD +45 -34
- {mat3ra_esse-2025.4.11.post0.dist-info → mat3ra_esse-2025.4.15.post0.dist-info}/WHEEL +0 -0
- {mat3ra_esse-2025.4.11.post0.dist-info → mat3ra_esse-2025.4.15.post0.dist-info}/licenses/LICENSE.md +0 -0
- {mat3ra_esse-2025.4.11.post0.dist-info → mat3ra_esse-2025.4.15.post0.dist-info}/top_level.txt +0 -0
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mat3ra/esse/__init__.py,sha256=nN0dOkxbOK6sWOTNr8aBGi9bQsI9sy6B2nn0UP29-sI,1244
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mat3ra/esse/utils.py,sha256=-FexdtkOYGEWmwJUwWDuJferibc7M1YzUH738Bffuxo,1727
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mat3ra/esse/data/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
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mat3ra/esse/data/examples.py,sha256=
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mat3ra/esse/data/examples.py,sha256=cjPn5WBCnPu1bJl1UYwa32_9S5RAOeHXXWz2sipszb8,46320
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mat3ra/esse/data/properties.py,sha256=geWFIVIJbdn2Q_JG3Mz36oQ_dXeZZwnmlS_NgszvHUY,6099
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mat3ra/esse/data/schemas.py,sha256=
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mat3ra/esse/models/element.py,sha256=
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mat3ra/esse/models/core/abstract/2d_data.py,sha256=QiWkaGXriph7QwLWF3LuRddSal7fLEakNMh2DkuCNCc,426
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mat3ra/esse/models/core/reference/modeling/exabyte.py,sha256=TpN1sEwv2h1w4cN7anHLfWQWSK0Zjb1u7_V2-62Yrv4,880
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mat3ra/esse/models/core/reusable/accuracy_level.py,sha256=7p3TQIjCfdbdpmvCbNadyOYbHdWeVqfgHproC39uet0,643
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mat3ra/esse/models/core/reusable/atomic_data_per_orbital_numeric.py,sha256=D-Ax_gaa_HALKc2wMoVbRt2aA7Y_nbdVh_XwZfmyPGM,661
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mat3ra/esse/models/core/reusable/category_path.py,sha256=SFyMHOXwrIewKkr4lCZRfSO-oszEx29XEK6TuLJrBtQ,359
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mat3ra/esse/models/core/reusable/energy_accuracy_levels.py,sha256=ndCRZOzYZZ-Ok-mjANEKtvOuMSQvE2WzCXqXvrJrNtA,655
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mat3ra/esse/models/core/reusable/frequency_function_matrix.py,sha256=I4B-ukMJ_aGpP_PHDd63bW8Jav1mreGeMiLqtrElIno,429
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mat3ra/esse/models/core/reusable/object_storage_container_data.py,sha256=LKvflErRqZIS2U4L586Dqkb5PN5BJd0oNUp2h0B4R4Q,834
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mat3ra/esse/models/core/reusable/scalar_with_accuracy_levels.py,sha256=s6TD3yrZlVdGYmMIqhBmhacuRIMRtfkJx_Ag_0Vl_OA,487
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