SMACT 4.0.1__tar.gz → 4.0.2__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 (100) hide show
  1. {smact-4.0.1/SMACT.egg-info → smact-4.0.2}/PKG-INFO +1 -1
  2. {smact-4.0.1 → smact-4.0.2/SMACT.egg-info}/PKG-INFO +1 -1
  3. {smact-4.0.1 → smact-4.0.2}/pyproject.toml +1 -1
  4. {smact-4.0.1 → smact-4.0.2}/LICENSE +0 -0
  5. {smact-4.0.1 → smact-4.0.2}/MANIFEST.in +0 -0
  6. {smact-4.0.1 → smact-4.0.2}/README.md +0 -0
  7. {smact-4.0.1 → smact-4.0.2}/SMACT.egg-info/SOURCES.txt +0 -0
  8. {smact-4.0.1 → smact-4.0.2}/SMACT.egg-info/dependency_links.txt +0 -0
  9. {smact-4.0.1 → smact-4.0.2}/SMACT.egg-info/requires.txt +0 -0
  10. {smact-4.0.1 → smact-4.0.2}/SMACT.egg-info/top_level.txt +0 -0
  11. {smact-4.0.1 → smact-4.0.2}/setup.cfg +0 -0
  12. {smact-4.0.1 → smact-4.0.2}/smact/__init__.py +0 -0
  13. {smact-4.0.1 → smact-4.0.2}/smact/benchmarking/__init__.py +0 -0
  14. {smact-4.0.1 → smact-4.0.2}/smact/benchmarking/pymatgen_benchmark.py +0 -0
  15. {smact-4.0.1 → smact-4.0.2}/smact/benchmarking/smact_benchmark.py +0 -0
  16. {smact-4.0.1 → smact-4.0.2}/smact/benchmarking/utilities.py +0 -0
  17. {smact-4.0.1 → smact-4.0.2}/smact/builder.py +0 -0
  18. {smact-4.0.1 → smact-4.0.2}/smact/data/Covalent_radii.csv +0 -0
  19. {smact-4.0.1 → smact-4.0.2}/smact/data/SSE.csv +0 -0
  20. {smact-4.0.1 → smact-4.0.2}/smact/data/SSE_2015.csv +0 -0
  21. {smact-4.0.1 → smact-4.0.2}/smact/data/SSE_Pauling.csv +0 -0
  22. {smact-4.0.1 → smact-4.0.2}/smact/data/element_data.txt +0 -0
  23. {smact-4.0.1 → smact-4.0.2}/smact/data/element_valence_modified.csv +0 -0
  24. {smact-4.0.1 → smact-4.0.2}/smact/data/hhi.txt +0 -0
  25. {smact-4.0.1 → smact-4.0.2}/smact/data/ionic_radii.csv +0 -0
  26. {smact-4.0.1 → smact-4.0.2}/smact/data/lambda.json +0 -0
  27. {smact-4.0.1 → smact-4.0.2}/smact/data/magpie.csv +0 -0
  28. {smact-4.0.1 → smact-4.0.2}/smact/data/ordered_periodic.txt +0 -0
  29. {smact-4.0.1 → smact-4.0.2}/smact/data/oxidation_state_probability_table.json +0 -0
  30. {smact-4.0.1 → smact-4.0.2}/smact/data/oxidation_states.txt +0 -0
  31. {smact-4.0.1 → smact-4.0.2}/smact/data/oxidation_states_SP.txt +0 -0
  32. {smact-4.0.1 → smact-4.0.2}/smact/data/oxidation_states_icsd.txt +0 -0
  33. {smact-4.0.1 → smact-4.0.2}/smact/data/oxidation_states_icsd24_common.txt +0 -0
  34. {smact-4.0.1 → smact-4.0.2}/smact/data/oxidation_states_icsd24_counts.json +0 -0
  35. {smact-4.0.1 → smact-4.0.2}/smact/data/oxidation_states_icsd24_filtered.txt +0 -0
  36. {smact-4.0.1 → smact-4.0.2}/smact/data/oxidation_states_icsd24_raw.txt +0 -0
  37. {smact-4.0.1 → smact-4.0.2}/smact/data/oxidation_states_pmg.txt +0 -0
  38. {smact-4.0.1 → smact-4.0.2}/smact/data/oxidation_states_wiki.txt +0 -0
  39. {smact-4.0.1 → smact-4.0.2}/smact/data/shannon_radii.csv +0 -0
  40. {smact-4.0.1 → smact-4.0.2}/smact/data/shannon_radii_ML_extended.csv +0 -0
  41. {smact-4.0.1 → smact-4.0.2}/smact/data/solid_properties.txt +0 -0
  42. {smact-4.0.1 → smact-4.0.2}/smact/data/solid_properties.xlsx +0 -0
  43. {smact-4.0.1 → smact-4.0.2}/smact/data/species_rep/ion_embedding_M3GNet-MP-2023.11.1-oxi-Eform_cosine_similarity.json +0 -0
  44. {smact-4.0.1 → smact-4.0.2}/smact/data/species_rep/ion_embedding_M3GNet-MP-2023.11.1-oxi-band_gap_cosine_similarity.json +0 -0
  45. {smact-4.0.1 → smact-4.0.2}/smact/data/species_rep/skipspecies_20221028_319ion_dim200_cosine_similarity.json +0 -0
  46. {smact-4.0.1 → smact-4.0.2}/smact/data_loader.py +0 -0
  47. {smact-4.0.1 → smact-4.0.2}/smact/distorter.py +0 -0
  48. {smact-4.0.1 → smact-4.0.2}/smact/dopant_prediction/__init__.py +0 -0
  49. {smact-4.0.1 → smact-4.0.2}/smact/dopant_prediction/doper.py +0 -0
  50. {smact-4.0.1 → smact-4.0.2}/smact/io/__init__.py +0 -0
  51. {smact-4.0.1 → smact-4.0.2}/smact/io/elementembeddings.py +0 -0
  52. {smact-4.0.1 → smact-4.0.2}/smact/lattice.py +0 -0
  53. {smact-4.0.1 → smact-4.0.2}/smact/lattice_parameters.py +0 -0
  54. {smact-4.0.1 → smact-4.0.2}/smact/metallicity.py +0 -0
  55. {smact-4.0.1 → smact-4.0.2}/smact/oxidation_states.py +0 -0
  56. {smact-4.0.1 → smact-4.0.2}/smact/properties.py +0 -0
  57. {smact-4.0.1 → smact-4.0.2}/smact/property_prediction/__init__.py +0 -0
  58. {smact-4.0.1 → smact-4.0.2}/smact/property_prediction/base_predictor.py +0 -0
  59. {smact-4.0.1 → smact-4.0.2}/smact/property_prediction/config.py +0 -0
  60. {smact-4.0.1 → smact-4.0.2}/smact/property_prediction/convenience.py +0 -0
  61. {smact-4.0.1 → smact-4.0.2}/smact/property_prediction/io.py +0 -0
  62. {smact-4.0.1 → smact-4.0.2}/smact/property_prediction/registry.py +0 -0
  63. {smact-4.0.1 → smact-4.0.2}/smact/property_prediction/roost/__init__.py +0 -0
  64. {smact-4.0.1 → smact-4.0.2}/smact/property_prediction/roost/predictor.py +0 -0
  65. {smact-4.0.1 → smact-4.0.2}/smact/property_prediction/roost/train.py +0 -0
  66. {smact-4.0.1 → smact-4.0.2}/smact/property_prediction/scripts/__init__.py +0 -0
  67. {smact-4.0.1 → smact-4.0.2}/smact/property_prediction/scripts/convert_checkpoint.py +0 -0
  68. {smact-4.0.1 → smact-4.0.2}/smact/property_prediction/tests/__init__.py +0 -0
  69. {smact-4.0.1 → smact-4.0.2}/smact/property_prediction/tests/test_base_predictor.py +0 -0
  70. {smact-4.0.1 → smact-4.0.2}/smact/property_prediction/tests/test_io.py +0 -0
  71. {smact-4.0.1 → smact-4.0.2}/smact/property_prediction/tests/test_registry.py +0 -0
  72. {smact-4.0.1 → smact-4.0.2}/smact/py.typed +0 -0
  73. {smact-4.0.1 → smact-4.0.2}/smact/screening.py +0 -0
  74. {smact-4.0.1 → smact-4.0.2}/smact/structure_prediction/__init__.py +0 -0
  75. {smact-4.0.1 → smact-4.0.2}/smact/structure_prediction/database.py +0 -0
  76. {smact-4.0.1 → smact-4.0.2}/smact/structure_prediction/mutation.py +0 -0
  77. {smact-4.0.1 → smact-4.0.2}/smact/structure_prediction/prediction.py +0 -0
  78. {smact-4.0.1 → smact-4.0.2}/smact/structure_prediction/probability_models.py +0 -0
  79. {smact-4.0.1 → smact-4.0.2}/smact/structure_prediction/structure.py +0 -0
  80. {smact-4.0.1 → smact-4.0.2}/smact/structure_prediction/utilities.py +0 -0
  81. {smact-4.0.1 → smact-4.0.2}/smact/tests/__init__.py +0 -0
  82. {smact-4.0.1 → smact-4.0.2}/smact/tests/conftest.py +0 -0
  83. {smact-4.0.1 → smact-4.0.2}/smact/tests/test_core.py +0 -0
  84. {smact-4.0.1 → smact-4.0.2}/smact/tests/test_doper.py +0 -0
  85. {smact-4.0.1 → smact-4.0.2}/smact/tests/test_elementembeddings.py +0 -0
  86. {smact-4.0.1 → smact-4.0.2}/smact/tests/test_lattice_parameters.py +0 -0
  87. {smact-4.0.1 → smact-4.0.2}/smact/tests/test_metallicity.py +0 -0
  88. {smact-4.0.1 → smact-4.0.2}/smact/tests/test_packaging.py +0 -0
  89. {smact-4.0.1 → smact-4.0.2}/smact/tests/test_probability_models.py +0 -0
  90. {smact-4.0.1 → smact-4.0.2}/smact/tests/test_structure.py +0 -0
  91. {smact-4.0.1 → smact-4.0.2}/smact/tests/test_utils.py +0 -0
  92. {smact-4.0.1 → smact-4.0.2}/smact/utils/__init__.py +0 -0
  93. {smact-4.0.1 → smact-4.0.2}/smact/utils/band_gap_simple.py +0 -0
  94. {smact-4.0.1 → smact-4.0.2}/smact/utils/composition.py +0 -0
  95. {smact-4.0.1 → smact-4.0.2}/smact/utils/crystal_space/__init__.py +0 -0
  96. {smact-4.0.1 → smact-4.0.2}/smact/utils/crystal_space/download_compounds_with_mp_api.py +0 -0
  97. {smact-4.0.1 → smact-4.0.2}/smact/utils/crystal_space/generate_composition_with_smact.py +0 -0
  98. {smact-4.0.1 → smact-4.0.2}/smact/utils/crystal_space/plot_embedding.py +0 -0
  99. {smact-4.0.1 → smact-4.0.2}/smact/utils/oxidation.py +0 -0
  100. {smact-4.0.1 → smact-4.0.2}/smact/utils/species.py +0 -0
{smact-4.0.1/SMACT.egg-info → smact-4.0.2}/PKG-INFO RENAMED
@@ -1,6 +1,6 @@
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  Metadata-Version: 2.4
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  Name: SMACT
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- Version: 4.0.1
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+ Version: 4.0.2
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  Summary: Semiconducting Materials by Analogy and Chemical Theory
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  Author-email: The SMACT Developers <a.walsh@imperial.ac.uk>
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  Maintainer-email: "Kinga O. Mastej" <k.mastej24@imperial.ac.uk>
{smact-4.0.1 → smact-4.0.2/SMACT.egg-info}/PKG-INFO RENAMED
@@ -1,6 +1,6 @@
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  Metadata-Version: 2.4
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  Name: SMACT
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- Version: 4.0.1
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+ Version: 4.0.2
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  Summary: Semiconducting Materials by Analogy and Chemical Theory
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  Author-email: The SMACT Developers <a.walsh@imperial.ac.uk>
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  Maintainer-email: "Kinga O. Mastej" <k.mastej24@imperial.ac.uk>
{smact-4.0.1 → smact-4.0.2}/pyproject.toml RENAMED
@@ -6,7 +6,7 @@ build-backend = "setuptools.build_meta"
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  [project]
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  name = "SMACT"
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- version = "4.0.1"
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+ version = "4.0.2"
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  description = "Semiconducting Materials by Analogy and Chemical Theory"
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  readme = "README.md"
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  authors = [
{smact-4.0.1 → smact-4.0.2}/LICENSE RENAMED
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{smact-4.0.1 → smact-4.0.2}/MANIFEST.in RENAMED
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{smact-4.0.1 → smact-4.0.2}/README.md RENAMED
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{smact-4.0.1 → smact-4.0.2}/SMACT.egg-info/SOURCES.txt RENAMED
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{smact-4.0.1 → smact-4.0.2}/SMACT.egg-info/requires.txt RENAMED
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{smact-4.0.1 → smact-4.0.2}/setup.cfg RENAMED
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{smact-4.0.1 → smact-4.0.2}/smact/__init__.py RENAMED
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{smact-4.0.1 → smact-4.0.2}/smact/builder.py RENAMED
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{smact-4.0.1 → smact-4.0.2}/smact/data/SSE.csv RENAMED
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{smact-4.0.1 → smact-4.0.2}/smact/data/SSE_2015.csv RENAMED
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{smact-4.0.1 → smact-4.0.2}/smact/data/SSE_Pauling.csv RENAMED
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{smact-4.0.1 → smact-4.0.2}/smact/data/element_data.txt RENAMED
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{smact-4.0.1 → smact-4.0.2}/smact/data/hhi.txt RENAMED
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{smact-4.0.1 → smact-4.0.2}/smact/data/ionic_radii.csv RENAMED
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{smact-4.0.1 → smact-4.0.2}/smact/data/lambda.json RENAMED
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{smact-4.0.1 → smact-4.0.2}/smact/data/magpie.csv RENAMED
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{smact-4.0.1 → smact-4.0.2}/smact/data_loader.py RENAMED
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{smact-4.0.1 → smact-4.0.2}/smact/distorter.py RENAMED
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{smact-4.0.1 → smact-4.0.2}/smact/io/__init__.py RENAMED
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{smact-4.0.1 → smact-4.0.2}/smact/lattice.py RENAMED
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{smact-4.0.1 → smact-4.0.2}/smact/lattice_parameters.py RENAMED
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{smact-4.0.1 → smact-4.0.2}/smact/metallicity.py RENAMED
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{smact-4.0.1 → smact-4.0.2}/smact/oxidation_states.py RENAMED
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{smact-4.0.1 → smact-4.0.2}/smact/properties.py RENAMED
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{smact-4.0.1 → smact-4.0.2}/smact/py.typed RENAMED
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{smact-4.0.1 → smact-4.0.2}/smact/screening.py RENAMED
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{smact-4.0.1 → smact-4.0.2}/smact/tests/__init__.py RENAMED
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{smact-4.0.1 → smact-4.0.2}/smact/tests/conftest.py RENAMED
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{smact-4.0.1 → smact-4.0.2}/smact/tests/test_core.py RENAMED
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{smact-4.0.1 → smact-4.0.2}/smact/tests/test_doper.py RENAMED
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{smact-4.0.1 → smact-4.0.2}/smact/tests/test_utils.py RENAMED
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{smact-4.0.1 → smact-4.0.2}/smact/utils/__init__.py RENAMED
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{smact-4.0.1 → smact-4.0.2}/smact/utils/composition.py RENAMED
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{smact-4.0.1 → smact-4.0.2}/smact/utils/oxidation.py RENAMED
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{smact-4.0.1 → smact-4.0.2}/smact/utils/species.py RENAMED
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