emmet-core 0.87.0.dev16__tar.gz → 0.87.0.dev18__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.
Files changed (261) hide show
  1. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/PKG-INFO +1 -1
  2. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/emmet/core/electrode.py +2 -2
  3. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/emmet/core/summary.py +5 -3
  4. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/emmet_core.egg-info/PKG-INFO +1 -1
  5. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/dev_scripts/gen_api_field_test.py +0 -0
  6. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/dev_scripts/generate_enums.py +0 -0
  7. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/dev_scripts/generate_identifier_exclude_list.py +0 -0
  8. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/emmet/core/__init__.py +0 -0
  9. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/emmet/core/_forbidden_alpha_id.py +0 -0
  10. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/emmet/core/_general_store.py +0 -0
  11. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/emmet/core/_messages.py +0 -0
  12. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/emmet/core/_user_settings.py +0 -0
  13. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/emmet/core/absorption.py +0 -0
  14. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/emmet/core/alloys.py +0 -0
  15. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/emmet/core/arrow.py +0 -0
  16. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/emmet/core/band_theory.py +0 -0
  17. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/emmet/core/base.py +0 -0
  18. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/emmet/core/bonds.py +0 -0
  19. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/emmet/core/charge_density.py +0 -0
  20. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/emmet/core/chemenv.py +0 -0
  21. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/emmet/core/connectors/__init__.py +0 -0
  22. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/emmet/core/connectors/analysis.py +0 -0
  23. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/emmet/core/connectors/icsd/__init__.py +0 -0
  24. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/emmet/core/connectors/icsd/client.py +0 -0
  25. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/emmet/core/connectors/icsd/enums.py +0 -0
  26. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/emmet/core/connectors/icsd/schemas.py +0 -0
  27. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/emmet/core/connectors/icsd/settings.py +0 -0
  28. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/emmet/core/corrected_entries.py +0 -0
  29. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/emmet/core/defect.py +0 -0
  30. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/emmet/core/disorder.py +0 -0
  31. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/emmet/core/dois.py +0 -0
  32. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/emmet/core/elasticity.py +0 -0
  33. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/emmet/core/elasticity_legacy.py +0 -0
  34. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/emmet/core/electronic_structure.py +0 -0
  35. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/emmet/core/eos.py +0 -0
  36. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/emmet/core/featurization/__init__.py +0 -0
  37. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/emmet/core/featurization/featurizers.py +0 -0
  38. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/emmet/core/featurization/robocrys/__init__.py +0 -0
  39. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/emmet/core/featurization/robocrys/adapter.py +0 -0
  40. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/emmet/core/featurization/robocrys/condense/__init__.py +0 -0
  41. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/emmet/core/featurization/robocrys/condense/component.py +0 -0
  42. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/emmet/core/featurization/robocrys/condense/condenser.py +0 -0
  43. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/emmet/core/featurization/robocrys/condense/fingerprint.py +0 -0
  44. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/emmet/core/featurization/robocrys/condense/formula_aliases.json.gz +0 -0
  45. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/emmet/core/featurization/robocrys/condense/mineral.py +0 -0
  46. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/emmet/core/featurization/robocrys/condense/mineral_db.json.gz +0 -0
  47. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/emmet/core/featurization/robocrys/condense/molecule.py +0 -0
  48. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/emmet/core/featurization/robocrys/condense/molecule_db.json.gz +0 -0
  49. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/emmet/core/featurization/robocrys/condense/site.py +0 -0
  50. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/emmet/core/featurization/robocrys/describe/__init__.py +0 -0
  51. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/emmet/core/featurization/robocrys/describe/adapter.py +0 -0
  52. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/emmet/core/featurization/robocrys/describe/describer.py +0 -0
  53. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/emmet/core/featurization/robocrys/util.py +0 -0
  54. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/emmet/core/feff/__init__.py +0 -0
  55. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/emmet/core/feff/task.py +0 -0
  56. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/emmet/core/fermi.py +0 -0
  57. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/emmet/core/find_structure.py +0 -0
  58. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/emmet/core/formula_autocomplete.py +0 -0
  59. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/emmet/core/grain_boundary.py +0 -0
  60. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/emmet/core/magnetism.py +0 -0
  61. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/emmet/core/material.py +0 -0
  62. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/emmet/core/material_property.py +0 -0
  63. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/emmet/core/math.py +0 -0
  64. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/emmet/core/ml.py +0 -0
  65. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/emmet/core/mobility/__init__.py +0 -0
  66. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/emmet/core/mobility/migrationgraph.py +0 -0
  67. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/emmet/core/molecules/__init__.py +0 -0
  68. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/emmet/core/molecules/atomic.py +0 -0
  69. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/emmet/core/molecules/bonds.py +0 -0
  70. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/emmet/core/molecules/electric.py +0 -0
  71. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/emmet/core/molecules/metal_binding.py +0 -0
  72. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/emmet/core/molecules/molecule_property.py +0 -0
  73. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/emmet/core/molecules/orbitals.py +0 -0
  74. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/emmet/core/molecules/redox.py +0 -0
  75. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/emmet/core/molecules/summary.py +0 -0
  76. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/emmet/core/molecules/thermo.py +0 -0
  77. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/emmet/core/molecules/trajectory.py +0 -0
  78. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/emmet/core/molecules/vibration.py +0 -0
  79. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/emmet/core/molecules_jcesr.py +0 -0
  80. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/emmet/core/mpcomplete.py +0 -0
  81. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/emmet/core/mpid.py +0 -0
  82. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/emmet/core/mpid_ext.py +0 -0
  83. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/emmet/core/neb.py +0 -0
  84. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/emmet/core/openff/__init__.py +0 -0
  85. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/emmet/core/openff/tasks.py +0 -0
  86. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/emmet/core/openmm/__init__.py +0 -0
  87. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/emmet/core/openmm/calculations.py +0 -0
  88. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/emmet/core/openmm/tasks.py +0 -0
  89. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/emmet/core/optimade.py +0 -0
  90. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/emmet/core/oxidation_states.py +0 -0
  91. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/emmet/core/phonon.py +0 -0
  92. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/emmet/core/polar.py +0 -0
  93. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/emmet/core/provenance.py +0 -0
  94. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/emmet/core/py.typed +0 -0
  95. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/emmet/core/qc_tasks.py +0 -0
  96. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/emmet/core/qchem/__init__.py +0 -0
  97. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/emmet/core/qchem/calc_types/__init__.py +0 -0
  98. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/emmet/core/qchem/calc_types/calc_types.py +0 -0
  99. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/emmet/core/qchem/calc_types/calc_types.yaml +0 -0
  100. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/emmet/core/qchem/calc_types/em_utils.py +0 -0
  101. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/emmet/core/qchem/calc_types/enums.py +0 -0
  102. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/emmet/core/qchem/calc_types/utils.py +0 -0
  103. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/emmet/core/qchem/calculation.py +0 -0
  104. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/emmet/core/qchem/molecule.py +0 -0
  105. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/emmet/core/qchem/task.py +0 -0
  106. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/emmet/core/robocrys.py +0 -0
  107. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/emmet/core/settings.py +0 -0
  108. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/emmet/core/similarity.py +0 -0
  109. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/emmet/core/spectrum.py +0 -0
  110. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/emmet/core/structure.py +0 -0
  111. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/emmet/core/structure_group.py +0 -0
  112. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/emmet/core/substrates.py +0 -0
  113. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/emmet/core/surface_properties.py +0 -0
  114. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/emmet/core/symmetry.py +0 -0
  115. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/emmet/core/synthesis/__init__.py +0 -0
  116. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/emmet/core/synthesis/core.py +0 -0
  117. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/emmet/core/synthesis/materials.py +0 -0
  118. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/emmet/core/synthesis/operations.py +0 -0
  119. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/emmet/core/synthesis/reaction.py +0 -0
  120. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/emmet/core/task.py +0 -0
  121. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/emmet/core/tasks.py +0 -0
  122. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/emmet/core/testing_utils.py +0 -0
  123. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/emmet/core/thermo.py +0 -0
  124. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/emmet/core/trajectory.py +0 -0
  125. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/emmet/core/types/__init__.py +0 -0
  126. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/emmet/core/types/electronic_structure.py +0 -0
  127. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/emmet/core/types/enums.py +0 -0
  128. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/emmet/core/types/pymatgen_types/__init__.py +0 -0
  129. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/emmet/core/types/pymatgen_types/alloy_adapter.py +0 -0
  130. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/emmet/core/types/pymatgen_types/bader.py +0 -0
  131. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/emmet/core/types/pymatgen_types/balanced_reaction_adapter.py +0 -0
  132. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/emmet/core/types/pymatgen_types/bandstructure_symm_line_adapter.py +0 -0
  133. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/emmet/core/types/pymatgen_types/compatibility_adapter.py +0 -0
  134. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/emmet/core/types/pymatgen_types/composition_adapter.py +0 -0
  135. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/emmet/core/types/pymatgen_types/computed_entries_adapter.py +0 -0
  136. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/emmet/core/types/pymatgen_types/defect_adapter.py +0 -0
  137. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/emmet/core/types/pymatgen_types/diffraction_pattern_adapter.py +0 -0
  138. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/emmet/core/types/pymatgen_types/dos_adapter.py +0 -0
  139. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/emmet/core/types/pymatgen_types/electrode_adapter.py +0 -0
  140. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/emmet/core/types/pymatgen_types/element_adapter.py +0 -0
  141. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/emmet/core/types/pymatgen_types/grain_boundary_adapter.py +0 -0
  142. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/emmet/core/types/pymatgen_types/ir_dielectric_tensor_adapter.py +0 -0
  143. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/emmet/core/types/pymatgen_types/kpoint_adapter.py +0 -0
  144. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/emmet/core/types/pymatgen_types/kpoints_adapter.py +0 -0
  145. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/emmet/core/types/pymatgen_types/lattice_adapter.py +0 -0
  146. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/emmet/core/types/pymatgen_types/mixing_scheme_adapter.py +0 -0
  147. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/emmet/core/types/pymatgen_types/outcar_adapter.py +0 -0
  148. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/emmet/core/types/pymatgen_types/phase_diagram_adapter.py +0 -0
  149. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/emmet/core/types/pymatgen_types/phonon_adapter.py +0 -0
  150. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/emmet/core/types/pymatgen_types/poscar_adapter.py +0 -0
  151. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/emmet/core/types/pymatgen_types/properties.py +0 -0
  152. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/emmet/core/types/pymatgen_types/sites_adapter.py +0 -0
  153. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/emmet/core/types/pymatgen_types/species_adapter.py +0 -0
  154. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/emmet/core/types/pymatgen_types/structure_adapter.py +0 -0
  155. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/emmet/core/types/pymatgen_types/structure_graph_adapter.py +0 -0
  156. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/emmet/core/types/pymatgen_types/structure_matcher_adapter.py +0 -0
  157. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/emmet/core/types/pymatgen_types/trajectory_adapter.py +0 -0
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  159. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/emmet/core/types/typing.py +0 -0
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  163. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/emmet/core/vasp/calc_types/calc_types.yaml +0 -0
  164. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/emmet/core/vasp/calc_types/enums.py +0 -0
  165. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/emmet/core/vasp/calc_types/utils.py +0 -0
  166. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/emmet/core/vasp/calculation.py +0 -0
  167. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/emmet/core/vasp/material.py +0 -0
  168. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/emmet/core/vasp/models.py +0 -0
  169. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/emmet/core/vasp/task_valid.py +0 -0
  170. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/emmet/core/vasp/utils.py +0 -0
  171. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/emmet/core/vasp/validation.py +0 -0
  172. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/emmet/core/vasp/validation_legacy.py +0 -0
  173. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/emmet/core/xas.py +0 -0
  174. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/emmet/core/xrd.py +0 -0
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  176. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/emmet_core.egg-info/dependency_links.txt +0 -0
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  178. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/emmet_core.egg-info/top_level.txt +0 -0
  179. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/pyproject.toml +0 -0
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  181. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/requirements/ubuntu-latest_py3.11.txt +0 -0
  182. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/requirements/ubuntu-latest_py3.11_extras.txt +0 -0
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  184. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/requirements/ubuntu-latest_py3.12_extras.txt +0 -0
  185. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/requirements/ubuntu-latest_py3.13.txt +0 -0
  186. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/requirements/ubuntu-latest_py3.13_extras.txt +0 -0
  187. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/setup.cfg +0 -0
  188. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/tests/__init__.py +0 -0
  189. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/tests/conftest.py +0 -0
  190. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/tests/conftest_qchem.py +0 -0
  191. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/tests/featurization/__init__.py +0 -0
  192. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/tests/featurization/robocrys/__init__.py +0 -0
  193. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/tests/featurization/robocrys/condense/test_component.py +0 -0
  194. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/tests/featurization/robocrys/condense/test_fingerprint.py +0 -0
  195. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/tests/featurization/robocrys/condense/test_mineral.py +0 -0
  196. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/tests/featurization/robocrys/condense/test_molecule.py +0 -0
  197. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/tests/featurization/robocrys/condense/test_site.py +0 -0
  198. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/tests/featurization/robocrys/condense/test_structure.py +0 -0
  199. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/tests/featurization/robocrys/conftest.py +0 -0
  200. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/tests/featurization/robocrys/describe/test_description.py +0 -0
  201. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/tests/featurization/robocrys/describe/test_description_adapter.py +0 -0
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  203. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/tests/featurization/robocrys/test_util.py +0 -0
  204. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/tests/featurization/test_featurizers.py +0 -0
  205. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/tests/mobility/test_migrationgraph.py +0 -0
  206. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/tests/molecules/__init__.py +0 -0
  207. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/tests/molecules/test_atomic.py +0 -0
  208. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/tests/molecules/test_bonds.py +0 -0
  209. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/tests/molecules/test_electric.py +0 -0
  210. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/tests/molecules/test_metal_binding.py +0 -0
  211. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/tests/molecules/test_mol_thermo.py +0 -0
  212. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/tests/molecules/test_orbitals.py +0 -0
  213. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/tests/molecules/test_redox.py +0 -0
  214. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/tests/molecules/test_summary.py +0 -0
  215. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/tests/molecules/test_trajectory.py +0 -0
  216. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/tests/molecules/test_vibration.py +0 -0
  217. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/tests/openmm_md/__init__.py +0 -0
  218. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/tests/openmm_md/test_tasks.py +0 -0
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  220. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/tests/qchem/test_calc_types.py +0 -0
  221. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/tests/qchem/test_molecules.py +0 -0
  222. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/tests/qchem/test_qchem.py +0 -0
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  225. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/tests/test_band_theory.py +0 -0
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  227. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/tests/test_chemenv.py +0 -0
  228. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/tests/test_defects.py +0 -0
  229. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/tests/test_elasticity.py +0 -0
  230. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/tests/test_electrodes.py +0 -0
  231. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/tests/test_electronic_structure.py +0 -0
  232. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/tests/test_magnetism.py +0 -0
  233. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/tests/test_ml.py +0 -0
  234. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/tests/test_model_fields.py +0 -0
  235. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/tests/test_molecule_metadata.py +0 -0
  236. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/tests/test_mpid.py +0 -0
  237. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/tests/test_mpid_ext.py +0 -0
  238. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/tests/test_neb.py +0 -0
  239. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/tests/test_optimade.py +0 -0
  240. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/tests/test_oxidation_states.py +0 -0
  241. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/tests/test_phonon.py +0 -0
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  244. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/tests/test_qc_task.py +0 -0
  245. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/tests/test_robocrys.py +0 -0
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  247. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/tests/test_similarity.py +0 -0
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  249. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/tests/test_structure_metadata.py +0 -0
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  253. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/tests/test_utils.py +0 -0
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  256. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/tests/types/test_enums.py +0 -0
  257. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/tests/types/test_typing.py +0 -0
  258. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/tests/vasp/test_calc_types.py +0 -0
  259. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/tests/vasp/test_materials.py +0 -0
  260. {emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/tests/vasp/test_utils.py +0 -0
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{emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/PKG-INFO RENAMED
@@ -1,6 +1,6 @@
1
1
  Metadata-Version: 2.4
2
2
  Name: emmet-core
3
- Version: 0.87.0.dev16
3
+ Version: 0.87.0.dev18
4
4
  Summary: Core Emmet Library
5
5
  Author-email: The Materials Project <feedback@materialsproject.org>
6
6
  License-Expression: BSD-3-Clause-LBNL
{emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/emmet/core/electrode.py RENAMED
@@ -246,8 +246,8 @@ class BaseElectrode(EmmetBaseModel):
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  description="Anonymized representation of the formula (not including the working ion).",
247
247
  )
248
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249
- warnings: list[str] = Field(
250
- [], description="Any warnings related to this electrode data."
249
+ warnings: list[str] | None = Field(
250
+ None, description="Any warnings related to this electrode data."
251
251
  )
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{emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/emmet/core/summary.py RENAMED
@@ -94,7 +94,7 @@ class SummaryStats(BaseModel):
94
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  class PropModel(BaseModel):
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  """Check for model initialization outside of defaults."""
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97
- _prop: str = PrivateAttr("material")
97
+ _prop: str = PrivateAttr("materials")
98
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99
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  @property
100
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  def _has_props(self) -> bool:
@@ -106,6 +106,8 @@ class PropModel(BaseModel):
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107
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108
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109
+ property_name: str = "summary"
110
+
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111
  task_ids: list[IdentifierType] = Field(
110
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  [],
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  title="Calculation IDs",
@@ -182,7 +184,7 @@ class GBSearchData(BaseModel):
182
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  rotation_angle: float | None = Field(None, description="Rotation angle in degrees.")
183
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184
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185
- class GBSummary(BaseModel):
187
+ class GBSummary(PropModel):
186
188
  _prop: str = PrivateAttr("grain_boundaries")
187
189
  grain_boundaries: list[GBSearchData] | None = Field(
188
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  None, description="List of grain boundary documents."
@@ -283,7 +285,7 @@ class PiezoelectricSummary(PropModel):
283
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284
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285
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  class SurfacesSummary(PropModel):
286
- _prop: str = PrivateAttr("surfaces")
288
+ _prop: str = PrivateAttr("surface_properties")
287
289
  weighted_surface_energy_EV_PER_ANG2: float | None = Field(
288
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  None, description="Weighted surface energy in eV/Ų."
289
291
  )
{emmet_core-0.87.0.dev16 → emmet_core-0.87.0.dev18}/emmet_core.egg-info/PKG-INFO RENAMED
@@ -1,6 +1,6 @@
1
1
  Metadata-Version: 2.4
2
2
  Name: emmet-core
3
- Version: 0.87.0.dev16
3
+ Version: 0.87.0.dev18
4
4
  Summary: Core Emmet Library
5
5
  Author-email: The Materials Project <feedback@materialsproject.org>
6
6
  License-Expression: BSD-3-Clause-LBNL