mat3ra-esse 2025.4.3.post0__py3-none-any.whl → 2025.4.15.post0__py3-none-any.whl

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  1. mat3ra/esse/data/examples.py +1 -1
  2. mat3ra/esse/data/schemas.py +1 -1
  3. mat3ra/esse/models/core/reusable/accuracy_level.py +27 -0
  4. mat3ra/esse/models/core/reusable/band_gap.py +1 -1
  5. mat3ra/esse/models/core/reusable/energy.py +1 -1
  6. 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
  7. 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
  8. mat3ra/esse/models/core/reusable/energy_accuracy_levels.py +31 -0
  9. mat3ra/esse/models/core/reusable/scalar_with_accuracy_levels.py +23 -0
  10. mat3ra/esse/models/element.py +1 -1
  11. 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
  12. 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
  13. mat3ra/esse/models/methods_directory/physical/psp/__init__.py +23 -1
  14. 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
  15. 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
  16. mat3ra/esse/models/methods_directory/physical/psp/file.py +23 -1
  17. 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
  18. 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
  19. mat3ra/esse/models/methods_directory/physical/psp/file_data_item.py +23 -1
  20. mat3ra/esse/models/properties_directory/elemental/ionization_potential.py +1 -1
  21. mat3ra/esse/models/properties_directory/non_scalar/average_potential_profile.py +1 -1
  22. mat3ra/esse/models/properties_directory/non_scalar/band_gaps.py +1 -1
  23. mat3ra/esse/models/properties_directory/non_scalar/band_structure.py +1 -1
  24. mat3ra/esse/models/properties_directory/non_scalar/density_of_states.py +1 -1
  25. mat3ra/esse/models/properties_directory/non_scalar/potential_profile.py +1 -1
  26. mat3ra/esse/models/properties_directory/non_scalar/reaction_energy_profile.py +1 -1
  27. mat3ra/esse/models/properties_directory/non_scalar/total_energy_contributions.py +1 -1
  28. mat3ra/esse/models/properties_directory/scalar/electron_affinity.py +1 -1
  29. mat3ra/esse/models/properties_directory/scalar/fermi_energy.py +1 -1
  30. mat3ra/esse/models/properties_directory/scalar/formation_energy.py +1 -1
  31. mat3ra/esse/models/properties_directory/scalar/ionization_potential.py +1 -1
  32. mat3ra/esse/models/properties_directory/scalar/reaction_energy_barrier.py +1 -1
  33. mat3ra/esse/models/properties_directory/scalar/surface_energy.py +1 -1
  34. mat3ra/esse/models/properties_directory/scalar/total_energy.py +1 -1
  35. mat3ra/esse/models/properties_directory/scalar/total_force.py +1 -1
  36. mat3ra/esse/models/properties_directory/scalar/valence_band_offset.py +1 -1
  37. mat3ra/esse/models/properties_directory/scalar/zero_point_energy.py +1 -1
  38. mat3ra/esse/models/properties_directory/structural/atomic_forces.py +1 -1
  39. mat3ra/esse/models/properties_directory/workflow/convergence/electronic.py +1 -1
  40. mat3ra/esse/models/properties_directory/workflow/convergence/ionic.py +1 -1
  41. {mat3ra_esse-2025.4.3.post0.dist-info → mat3ra_esse-2025.4.15.post0.dist-info}/METADATA +3 -2
  42. {mat3ra_esse-2025.4.3.post0.dist-info → mat3ra_esse-2025.4.15.post0.dist-info}/RECORD +45 -34
  43. {mat3ra_esse-2025.4.3.post0.dist-info → mat3ra_esse-2025.4.15.post0.dist-info}/WHEEL +0 -0
  44. {mat3ra_esse-2025.4.3.post0.dist-info → mat3ra_esse-2025.4.15.post0.dist-info}/licenses/LICENSE.md +0 -0
  45. {mat3ra_esse-2025.4.3.post0.dist-info → mat3ra_esse-2025.4.15.post0.dist-info}/top_level.txt +0 -0
@@ -2,11 +2,11 @@ mat3ra/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
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  mat3ra/esse/data/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
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- mat3ra/esse/data/examples.py,sha256=foCkPV0bI0Mu3aoNB8ot6W6moANpdD8-3l6DxSg1w1s,45982
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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=vyBwj3Gf8bMHi8V8VBnjkcDG-XH6HsCHGmIiE5AB70c,1564912
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+ mat3ra/esse/data/schemas.py,sha256=TELqsHYFsurc2W0wOjYhZOGe3f9pZJAqimDqK-TAc68,1572822
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  mat3ra/esse/models/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
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- mat3ra/esse/models/element.py,sha256=MRHYZ2K8r_pqKhkwRRMk3Wn2abJcgFk3NU5Wf1VBS4Y,1341
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+ mat3ra/esse/models/element.py,sha256=y5PJLUMqaRSIAxkqLK42kQNudVsGKV20qTPqO0JaVx8,1331
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  mat3ra/esse/models/core/abstract/2d_data.py,sha256=QiWkaGXriph7QwLWF3LuRddSal7fLEakNMh2DkuCNCc,426
@@ -55,25 +55,30 @@ mat3ra/esse/models/core/reference/literature/pages.py,sha256=YiXN93a288PnuJ_Ur8e
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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/band_gap.py,sha256=X4fqXYdNEje0xlcdvv9sDj0LFSRQT-oV_WOAjMLadnI,1026
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+ mat3ra/esse/models/core/reusable/band_gap.py,sha256=T71JZ-2_etTZSBmluEWIge1nGpJDsV1UV37gf8nL2E4,1016
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- mat3ra/esse/models/core/reusable/energy.py,sha256=lN9ShHx7_ME4LY-qPqmzFmY16by3ylD6A5SaX_YGgIM,522
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+ mat3ra/esse/models/core/reusable/energy.py,sha256=OYipG7zedXIaP4ahCKxo4ZnUQONYm7rqA1uu5oSEp9k,512
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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/scalar_with_accuracy_levels.py,sha256=s6TD3yrZlVdGYmMIqhBmhacuRIMRtfkJx_Ag_0Vl_OA,487
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+ mat3ra/esse/models/core/reusable/energy_accuracy_levels/Reusable_schema_for_energy_value_with_unit_corresponding_to_a_specific_accuracy_level__e/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
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+ mat3ra/esse/models/core/reusable/energy_accuracy_levels/Reusable_schema_for_energy_value_with_unit_corresponding_to_a_specific_accuracy_level__e/g.py,sha256=rMNirWgvD2MCc8jWTZmXCDEbKOcBl4Do5-R9W-mJIM4,652
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- mat3ra/esse/models/methods_directory/physical/psp/__init__.py,sha256=A7GUd4jAqVYFTwsNTTrHy-pW1QWK870TfzchHMuLno0,4832
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- mat3ra/esse/models/methods_directory/physical/psp/file.py,sha256=0ISL5PZS8JXXnnKHsHkAnjc1hVzHfvlP_SraqRaV-lE,2514
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+ 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,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
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+ 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,sha256=IN_tsdbJVe_bclu-eIYCDdWCh38lxw7UzDV2G5Q3VIg,661
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+ mat3ra/esse/models/properties_directory/workflow/convergence/electronic.py,sha256=MuMgO1Gq1285cvnjASCcFsHOD2ArcSjrV2OOWISF-M4,558
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+ mat3ra/esse/models/properties_directory/workflow/convergence/ionic.py,sha256=GbxscbZIO10ZL9a9MHPplpXquehszYTbb4_Aoum6YqM,1306
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@@ -464,8 +475,8 @@ mat3ra/esse/models/workflow/unit/runtime/_runtime_item_name_object.py,sha256=CIb
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+ mat3ra_esse-2025.4.15.post0.dist-info/licenses/LICENSE.md,sha256=CBGo1CDw-8EWCk7x9HOiF-OShdnHY6j__TjFyZPpQME,563
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+ mat3ra_esse-2025.4.15.post0.dist-info/METADATA,sha256=ueSv6pIW3g_ONxaA3Sgj8rdVnN2EXxlgePPRhVxICO8,9000
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