agox 3.10.1__tar.gz → 3.10.2rc1__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 (386) hide show
  1. {agox-3.10.1 → agox-3.10.2rc1}/PKG-INFO +1 -1
  2. {agox-3.10.1 → agox-3.10.2rc1}/agox/__init__.py +1 -1
  3. {agox-3.10.1 → agox-3.10.2rc1}/agox/models/GPR/priors/repulsive.c +97 -97
  4. agox-3.10.2rc1/agox/models/GPR/priors/repulsive.pyx +230 -0
  5. {agox-3.10.1 → agox-3.10.2rc1}/agox/models/descriptors/fingerprint_cython/angular_fingerprintFeature_cy.c +97 -97
  6. agox-3.10.2rc1/agox/models/descriptors/fingerprint_cython/angular_fingerprintFeature_cy.pyx +738 -0
  7. {agox-3.10.1 → agox-3.10.2rc1}/agox.egg-info/PKG-INFO +1 -1
  8. {agox-3.10.1 → agox-3.10.2rc1}/agox.egg-info/SOURCES.txt +2 -0
  9. {agox-3.10.1 → agox-3.10.2rc1}/pyproject.toml +7 -0
  10. {agox-3.10.1 → agox-3.10.2rc1}/LICENSE.txt +0 -0
  11. {agox-3.10.1 → agox-3.10.2rc1}/README.md +0 -0
  12. {agox-3.10.1 → agox-3.10.2rc1}/agox/acquisitors/ABC_acquisitor.py +0 -0
  13. {agox-3.10.1 → agox-3.10.2rc1}/agox/acquisitors/EI.py +0 -0
  14. {agox-3.10.1 → agox-3.10.2rc1}/agox/acquisitors/LCB.py +0 -0
  15. {agox-3.10.1 → agox-3.10.2rc1}/agox/acquisitors/LCB_penalty.py +0 -0
  16. {agox-3.10.1 → agox-3.10.2rc1}/agox/acquisitors/LCB_power.py +0 -0
  17. {agox-3.10.1 → agox-3.10.2rc1}/agox/acquisitors/__init__.py +0 -0
  18. {agox-3.10.1 → agox-3.10.2rc1}/agox/acquisitors/meta_acquisitor.py +0 -0
  19. {agox-3.10.1 → agox-3.10.2rc1}/agox/acquisitors/replica_exchange/__init__.py +0 -0
  20. {agox-3.10.1 → agox-3.10.2rc1}/agox/acquisitors/replica_exchange/default.py +0 -0
  21. {agox-3.10.1 → agox-3.10.2rc1}/agox/analysis/__init__.py +0 -0
  22. {agox-3.10.1 → agox-3.10.2rc1}/agox/analysis/criterion/__init__.py +0 -0
  23. {agox-3.10.1 → agox-3.10.2rc1}/agox/analysis/criterion/base_criterion/__init__.py +0 -0
  24. {agox-3.10.1 → agox-3.10.2rc1}/agox/analysis/criterion/base_criterion/base_criterion.py +0 -0
  25. {agox-3.10.1 → agox-3.10.2rc1}/agox/analysis/criterion/base_criterion/discrete_distribution.py +0 -0
  26. {agox-3.10.1 → agox-3.10.2rc1}/agox/analysis/criterion/distance.py +0 -0
  27. {agox-3.10.1 → agox-3.10.2rc1}/agox/analysis/criterion/threshold.py +0 -0
  28. {agox-3.10.1 → agox-3.10.2rc1}/agox/analysis/plot/__init__.py +0 -0
  29. {agox-3.10.1 → agox-3.10.2rc1}/agox/analysis/plot/property_plot.py +0 -0
  30. {agox-3.10.1 → agox-3.10.2rc1}/agox/analysis/plot/success_plot.py +0 -0
  31. {agox-3.10.1 → agox-3.10.2rc1}/agox/analysis/property/__init__.py +0 -0
  32. {agox-3.10.1 → agox-3.10.2rc1}/agox/analysis/property/descriptor_property.py +0 -0
  33. {agox-3.10.1 → agox-3.10.2rc1}/agox/analysis/property/energy.py +0 -0
  34. {agox-3.10.1 → agox-3.10.2rc1}/agox/analysis/property/free_energy.py +0 -0
  35. {agox-3.10.1 → agox-3.10.2rc1}/agox/analysis/property/property.py +0 -0
  36. {agox-3.10.1 → agox-3.10.2rc1}/agox/analysis/search_analysis.py +0 -0
  37. {agox-3.10.1 → agox-3.10.2rc1}/agox/analysis/search_data.py +0 -0
  38. {agox-3.10.1 → agox-3.10.2rc1}/agox/candidates/ABC_candidate.py +0 -0
  39. {agox-3.10.1 → agox-3.10.2rc1}/agox/candidates/__init__.py +0 -0
  40. {agox-3.10.1 → agox-3.10.2rc1}/agox/candidates/standard.py +0 -0
  41. {agox-3.10.1 → agox-3.10.2rc1}/agox/cli/__init__.py +0 -0
  42. {agox-3.10.1 → agox-3.10.2rc1}/agox/cli/cli_analysis.py +0 -0
  43. {agox-3.10.1 → agox-3.10.2rc1}/agox/cli/cli_convert.py +0 -0
  44. {agox-3.10.1 → agox-3.10.2rc1}/agox/cli/cli_graph_sorting.py +0 -0
  45. {agox-3.10.1 → agox-3.10.2rc1}/agox/cli/cli_notebook.py +0 -0
  46. {agox-3.10.1 → agox-3.10.2rc1}/agox/cli/cli_plot.py +0 -0
  47. {agox-3.10.1 → agox-3.10.2rc1}/agox/cli/main.py +0 -0
  48. {agox-3.10.1 → agox-3.10.2rc1}/agox/collectors/ABC_collector.py +0 -0
  49. {agox-3.10.1 → agox-3.10.2rc1}/agox/collectors/__init__.py +0 -0
  50. {agox-3.10.1 → agox-3.10.2rc1}/agox/collectors/ray_collector.py +0 -0
  51. {agox-3.10.1 → agox-3.10.2rc1}/agox/collectors/replica_exchange.py +0 -0
  52. {agox-3.10.1 → agox-3.10.2rc1}/agox/collectors/standard.py +0 -0
  53. {agox-3.10.1 → agox-3.10.2rc1}/agox/databases/ABC_database.py +0 -0
  54. {agox-3.10.1 → agox-3.10.2rc1}/agox/databases/__init__.py +0 -0
  55. {agox-3.10.1 → agox-3.10.2rc1}/agox/databases/concurrent_ordered.py +0 -0
  56. {agox-3.10.1 → agox-3.10.2rc1}/agox/databases/database.py +0 -0
  57. {agox-3.10.1 → agox-3.10.2rc1}/agox/databases/database_concurrent.py +0 -0
  58. {agox-3.10.1 → agox-3.10.2rc1}/agox/databases/database_utilities.py +0 -0
  59. {agox-3.10.1 → agox-3.10.2rc1}/agox/environments/ABC_environment.py +0 -0
  60. {agox-3.10.1 → agox-3.10.2rc1}/agox/environments/__init__.py +0 -0
  61. {agox-3.10.1 → agox-3.10.2rc1}/agox/environments/environment.py +0 -0
  62. {agox-3.10.1 → agox-3.10.2rc1}/agox/evaluators/ABC_evaluator.py +0 -0
  63. {agox-3.10.1 → agox-3.10.2rc1}/agox/evaluators/__init__.py +0 -0
  64. {agox-3.10.1 → agox-3.10.2rc1}/agox/evaluators/local_optimization.py +0 -0
  65. {agox-3.10.1 → agox-3.10.2rc1}/agox/evaluators/rattle.py +0 -0
  66. {agox-3.10.1 → agox-3.10.2rc1}/agox/evaluators/single_point.py +0 -0
  67. {agox-3.10.1 → agox-3.10.2rc1}/agox/generators/ABC_generator.py +0 -0
  68. {agox-3.10.1 → agox-3.10.2rc1}/agox/generators/MD.py +0 -0
  69. {agox-3.10.1 → agox-3.10.2rc1}/agox/generators/__init__.py +0 -0
  70. {agox-3.10.1 → agox-3.10.2rc1}/agox/generators/block_generators/ABC_block.py +0 -0
  71. {agox-3.10.1 → agox-3.10.2rc1}/agox/generators/block_generators/__init__.py +0 -0
  72. {agox-3.10.1 → agox-3.10.2rc1}/agox/generators/block_generators/block_potential.py +0 -0
  73. {agox-3.10.1 → agox-3.10.2rc1}/agox/generators/block_generators/random.py +0 -0
  74. {agox-3.10.1 → agox-3.10.2rc1}/agox/generators/block_generators/rattle.py +0 -0
  75. {agox-3.10.1 → agox-3.10.2rc1}/agox/generators/ce_generator.py +0 -0
  76. {agox-3.10.1 → agox-3.10.2rc1}/agox/generators/cog.py +0 -0
  77. {agox-3.10.1 → agox-3.10.2rc1}/agox/generators/complementary_energy/__init__.py +0 -0
  78. {agox-3.10.1 → agox-3.10.2rc1}/agox/generators/complementary_energy/attractor_methods/ABC_attractors.py +0 -0
  79. {agox-3.10.1 → agox-3.10.2rc1}/agox/generators/complementary_energy/attractor_methods/__init__.py +0 -0
  80. {agox-3.10.1 → agox-3.10.2rc1}/agox/generators/complementary_energy/attractor_methods/ce_attractors_another_structure.py +0 -0
  81. {agox-3.10.1 → agox-3.10.2rc1}/agox/generators/complementary_energy/attractor_methods/ce_attractors_current_structure.py +0 -0
  82. {agox-3.10.1 → agox-3.10.2rc1}/agox/generators/complementary_energy/attractor_methods/ce_attractors_interpolation.py +0 -0
  83. {agox-3.10.1 → agox-3.10.2rc1}/agox/generators/complementary_energy/attractor_methods/ce_attractors_kmeans.py +0 -0
  84. {agox-3.10.1 → agox-3.10.2rc1}/agox/generators/complementary_energy/ce_calculators.py +0 -0
  85. {agox-3.10.1 → agox-3.10.2rc1}/agox/generators/permutation.py +0 -0
  86. {agox-3.10.1 → agox-3.10.2rc1}/agox/generators/random.py +0 -0
  87. {agox-3.10.1 → agox-3.10.2rc1}/agox/generators/rattle.py +0 -0
  88. {agox-3.10.1 → agox-3.10.2rc1}/agox/generators/replace.py +0 -0
  89. {agox-3.10.1 → agox-3.10.2rc1}/agox/generators/reuse.py +0 -0
  90. {agox-3.10.1 → agox-3.10.2rc1}/agox/generators/sampling.py +0 -0
  91. {agox-3.10.1 → agox-3.10.2rc1}/agox/generators/steepest_descent.py +0 -0
  92. {agox-3.10.1 → agox-3.10.2rc1}/agox/generators/symmetry.py +0 -0
  93. {agox-3.10.1 → agox-3.10.2rc1}/agox/generators/symmetry_permutation.py +0 -0
  94. {agox-3.10.1 → agox-3.10.2rc1}/agox/generators/symmetry_rattle.py +0 -0
  95. {agox-3.10.1 → agox-3.10.2rc1}/agox/generators/symmetry_utils/__init__.py +0 -0
  96. {agox-3.10.1 → agox-3.10.2rc1}/agox/generators/symmetry_utils/symmetry_enforcer.py +0 -0
  97. {agox-3.10.1 → agox-3.10.2rc1}/agox/generators/symmetry_utils/symmetry_groups.py +0 -0
  98. {agox-3.10.1 → agox-3.10.2rc1}/agox/helpers/__init__.py +0 -0
  99. {agox-3.10.1 → agox-3.10.2rc1}/agox/helpers/confinement.py +0 -0
  100. {agox-3.10.1 → agox-3.10.2rc1}/agox/helpers/gpaw_io.py +0 -0
  101. {agox-3.10.1 → agox-3.10.2rc1}/agox/helpers/gpaw_subprocess.py +0 -0
  102. {agox-3.10.1 → agox-3.10.2rc1}/agox/main/__init__.py +0 -0
  103. {agox-3.10.1 → agox-3.10.2rc1}/agox/main/agox.py +0 -0
  104. {agox-3.10.1 → agox-3.10.2rc1}/agox/main/state.py +0 -0
  105. {agox-3.10.1 → agox-3.10.2rc1}/agox/models/ABC_model.py +0 -0
  106. {agox-3.10.1 → agox-3.10.2rc1}/agox/models/GPR/GPR.py +0 -0
  107. {agox-3.10.1 → agox-3.10.2rc1}/agox/models/GPR/__init__.py +0 -0
  108. {agox-3.10.1 → agox-3.10.2rc1}/agox/models/GPR/kernels/__init__.py +0 -0
  109. {agox-3.10.1 → agox-3.10.2rc1}/agox/models/GPR/kernels/kernels.py +0 -0
  110. {agox-3.10.1 → agox-3.10.2rc1}/agox/models/GPR/local_mean.py +0 -0
  111. {agox-3.10.1 → agox-3.10.2rc1}/agox/models/GPR/priors/__init__.py +0 -0
  112. {agox-3.10.1 → agox-3.10.2rc1}/agox/models/GPR/priors/setup.py +0 -0
  113. {agox-3.10.1 → agox-3.10.2rc1}/agox/models/GPR/sGPR.py +0 -0
  114. {agox-3.10.1 → agox-3.10.2rc1}/agox/models/GPR/sGPR_ensemble.py +0 -0
  115. {agox-3.10.1 → agox-3.10.2rc1}/agox/models/__init__.py +0 -0
  116. {agox-3.10.1 → agox-3.10.2rc1}/agox/models/ase_model.py +0 -0
  117. {agox-3.10.1 → agox-3.10.2rc1}/agox/models/composition_model.py +0 -0
  118. {agox-3.10.1 → agox-3.10.2rc1}/agox/models/datasets/__init__.py +0 -0
  119. {agox-3.10.1 → agox-3.10.2rc1}/agox/models/datasets/loader.py +0 -0
  120. {agox-3.10.1 → agox-3.10.2rc1}/agox/models/descriptors/ABC_descriptor.py +0 -0
  121. {agox-3.10.1 → agox-3.10.2rc1}/agox/models/descriptors/__init__.py +0 -0
  122. {agox-3.10.1 → agox-3.10.2rc1}/agox/models/descriptors/acsf.py +0 -0
  123. {agox-3.10.1 → agox-3.10.2rc1}/agox/models/descriptors/exponential_density.py +0 -0
  124. {agox-3.10.1 → agox-3.10.2rc1}/agox/models/descriptors/fingerprint.py +0 -0
  125. {agox-3.10.1 → agox-3.10.2rc1}/agox/models/descriptors/fingerprint_cython/__init__.py +0 -0
  126. {agox-3.10.1 → agox-3.10.2rc1}/agox/models/descriptors/fingerprint_cython/setup.py +0 -0
  127. {agox-3.10.1 → agox-3.10.2rc1}/agox/models/descriptors/fingerprint_jax/__init__.py +0 -0
  128. {agox-3.10.1 → agox-3.10.2rc1}/agox/models/descriptors/fingerprint_jax/fingerprint_jax.py +0 -0
  129. {agox-3.10.1 → agox-3.10.2rc1}/agox/models/descriptors/fingerprint_jax/utils.py +0 -0
  130. {agox-3.10.1 → agox-3.10.2rc1}/agox/models/descriptors/scale_select_descriptor.py +0 -0
  131. {agox-3.10.1 → agox-3.10.2rc1}/agox/models/descriptors/simple_fingerprint.py +0 -0
  132. {agox-3.10.1 → agox-3.10.2rc1}/agox/models/descriptors/soap.py +0 -0
  133. {agox-3.10.1 → agox-3.10.2rc1}/agox/models/descriptors/spectral_graph_descriptor.py +0 -0
  134. {agox-3.10.1 → agox-3.10.2rc1}/agox/models/descriptors/type_descriptor.py +0 -0
  135. {agox-3.10.1 → agox-3.10.2rc1}/agox/models/descriptors/voronoi.py +0 -0
  136. {agox-3.10.1 → agox-3.10.2rc1}/agox/models/descriptors/voronoi_site.py +0 -0
  137. {agox-3.10.1 → agox-3.10.2rc1}/agox/models/priors/constant.py +0 -0
  138. {agox-3.10.1 → agox-3.10.2rc1}/agox/models/schnetpack/__init__.py +0 -0
  139. {agox-3.10.1 → agox-3.10.2rc1}/agox/models/schnetpack/schnetpack.py +0 -0
  140. {agox-3.10.1 → agox-3.10.2rc1}/agox/module.py +0 -0
  141. {agox-3.10.1 → agox-3.10.2rc1}/agox/observer/__init__.py +0 -0
  142. {agox-3.10.1 → agox-3.10.2rc1}/agox/observer/finalization_handler.py +0 -0
  143. {agox-3.10.1 → agox-3.10.2rc1}/agox/observer/observer.py +0 -0
  144. {agox-3.10.1 → agox-3.10.2rc1}/agox/observer/observer_handler.py +0 -0
  145. {agox-3.10.1 → agox-3.10.2rc1}/agox/observer/observer_method.py +0 -0
  146. {agox-3.10.1 → agox-3.10.2rc1}/agox/postprocessors/ABC_postprocess.py +0 -0
  147. {agox-3.10.1 → agox-3.10.2rc1}/agox/postprocessors/__init__.py +0 -0
  148. {agox-3.10.1 → agox-3.10.2rc1}/agox/postprocessors/centering.py +0 -0
  149. {agox-3.10.1 → agox-3.10.2rc1}/agox/postprocessors/disjoint_filtering.py +0 -0
  150. {agox-3.10.1 → agox-3.10.2rc1}/agox/postprocessors/minimum_dist.py +0 -0
  151. {agox-3.10.1 → agox-3.10.2rc1}/agox/postprocessors/ray_relax/__init__.py +0 -0
  152. {agox-3.10.1 → agox-3.10.2rc1}/agox/postprocessors/ray_relax/ray_relax.py +0 -0
  153. {agox-3.10.1 → agox-3.10.2rc1}/agox/postprocessors/ray_relax/remote_relax.py +0 -0
  154. {agox-3.10.1 → agox-3.10.2rc1}/agox/postprocessors/relax.py +0 -0
  155. {agox-3.10.1 → agox-3.10.2rc1}/agox/postprocessors/surface_centering.py +0 -0
  156. {agox-3.10.1 → agox-3.10.2rc1}/agox/postprocessors/wrap.py +0 -0
  157. {agox-3.10.1 → agox-3.10.2rc1}/agox/samplers/ABC_sampler.py +0 -0
  158. {agox-3.10.1 → agox-3.10.2rc1}/agox/samplers/__init__.py +0 -0
  159. {agox-3.10.1 → agox-3.10.2rc1}/agox/samplers/concurrent_tempering.py +0 -0
  160. {agox-3.10.1 → agox-3.10.2rc1}/agox/samplers/fixed_sampler.py +0 -0
  161. {agox-3.10.1 → agox-3.10.2rc1}/agox/samplers/genetic.py +0 -0
  162. {agox-3.10.1 → agox-3.10.2rc1}/agox/samplers/kernel_similarity.py +0 -0
  163. {agox-3.10.1 → agox-3.10.2rc1}/agox/samplers/kmeans.py +0 -0
  164. {agox-3.10.1 → agox-3.10.2rc1}/agox/samplers/metropolis.py +0 -0
  165. {agox-3.10.1 → agox-3.10.2rc1}/agox/samplers/replica_exchange/__init__.py +0 -0
  166. {agox-3.10.1 → agox-3.10.2rc1}/agox/samplers/replica_exchange/rate_tracker.py +0 -0
  167. {agox-3.10.1 → agox-3.10.2rc1}/agox/samplers/replica_exchange/replica_exchange.py +0 -0
  168. {agox-3.10.1 → agox-3.10.2rc1}/agox/samplers/replica_exchange/sample.py +0 -0
  169. {agox-3.10.1 → agox-3.10.2rc1}/agox/samplers/spectral_graph.py +0 -0
  170. {agox-3.10.1 → agox-3.10.2rc1}/agox/test/__init__.py +0 -0
  171. {agox-3.10.1 → agox-3.10.2rc1}/agox/test/acquisitor_test/test_lcb.py +0 -0
  172. {agox-3.10.1 → agox-3.10.2rc1}/agox/test/analysis_tests/conftest.py +0 -0
  173. {agox-3.10.1 → agox-3.10.2rc1}/agox/test/analysis_tests/test_criterion.py +0 -0
  174. {agox-3.10.1 → agox-3.10.2rc1}/agox/test/analysis_tests/test_descriptor_property.py +0 -0
  175. {agox-3.10.1 → agox-3.10.2rc1}/agox/test/analysis_tests/test_energy_property.py +0 -0
  176. {agox-3.10.1 → agox-3.10.2rc1}/agox/test/analysis_tests/test_property_plot.py +0 -0
  177. {agox-3.10.1 → agox-3.10.2rc1}/agox/test/analysis_tests/test_restart_data.py +0 -0
  178. {agox-3.10.1 → agox-3.10.2rc1}/agox/test/analysis_tests/test_search_collection.py +0 -0
  179. {agox-3.10.1 → agox-3.10.2rc1}/agox/test/analysis_tests/test_search_data.py +0 -0
  180. {agox-3.10.1 → agox-3.10.2rc1}/agox/test/analysis_tests/test_succces_plot.py +0 -0
  181. {agox-3.10.1 → agox-3.10.2rc1}/agox/test/cli_tests/conftest.py +0 -0
  182. {agox-3.10.1 → agox-3.10.2rc1}/agox/test/cli_tests/test_analysis_cli.py +0 -0
  183. {agox-3.10.1 → agox-3.10.2rc1}/agox/test/cli_tests/test_convert_cli.py +0 -0
  184. {agox-3.10.1 → agox-3.10.2rc1}/agox/test/cli_tests/test_graph_sort_cli.py +0 -0
  185. {agox-3.10.1 → agox-3.10.2rc1}/agox/test/cli_tests/test_main_cli.py +0 -0
  186. {agox-3.10.1 → agox-3.10.2rc1}/agox/test/cli_tests/test_plot_cli.py +0 -0
  187. {agox-3.10.1 → agox-3.10.2rc1}/agox/test/conftest.py +0 -0
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  355. {agox-3.10.1 → agox-3.10.2rc1}/agox/utils/metrics/metrics.py +0 -0
  356. {agox-3.10.1 → agox-3.10.2rc1}/agox/utils/numerical_derivative.py +0 -0
  357. {agox-3.10.1 → agox-3.10.2rc1}/agox/utils/plot/__init__.py +0 -0
  358. {agox-3.10.1 → agox-3.10.2rc1}/agox/utils/plot/colors.py +0 -0
  359. {agox-3.10.1 → agox-3.10.2rc1}/agox/utils/plot/plot_atoms.py +0 -0
  360. {agox-3.10.1 → agox-3.10.2rc1}/agox/utils/plot/plot_cell.py +0 -0
  361. {agox-3.10.1 → agox-3.10.2rc1}/agox/utils/plot/plot_parity.py +0 -0
  362. {agox-3.10.1 → agox-3.10.2rc1}/agox/utils/plot/utils.py +0 -0
  363. {agox-3.10.1 → agox-3.10.2rc1}/agox/utils/ray/__init__.py +0 -0
  364. {agox-3.10.1 → agox-3.10.2rc1}/agox/utils/ray/actor.py +0 -0
  365. {agox-3.10.1 → agox-3.10.2rc1}/agox/utils/ray/pool.py +0 -0
  366. {agox-3.10.1 → agox-3.10.2rc1}/agox/utils/ray/pool_startup.py +0 -0
  367. {agox-3.10.1 → agox-3.10.2rc1}/agox/utils/ray/pool_user.py +0 -0
  368. {agox-3.10.1 → agox-3.10.2rc1}/agox/utils/ray/startup.py +0 -0
  369. {agox-3.10.1 → agox-3.10.2rc1}/agox/utils/sparsifiers/ABC_sparsifier.py +0 -0
  370. {agox-3.10.1 → agox-3.10.2rc1}/agox/utils/sparsifiers/CUR.py +0 -0
  371. {agox-3.10.1 → agox-3.10.2rc1}/agox/utils/sparsifiers/CUR_old.py +0 -0
  372. {agox-3.10.1 → agox-3.10.2rc1}/agox/utils/sparsifiers/MBkmeans.py +0 -0
  373. {agox-3.10.1 → agox-3.10.2rc1}/agox/utils/sparsifiers/__init__.py +0 -0
  374. {agox-3.10.1 → agox-3.10.2rc1}/agox/utils/sparsifiers/random.py +0 -0
  375. {agox-3.10.1 → agox-3.10.2rc1}/agox/utils/thermodynamics/__init__.py +0 -0
  376. {agox-3.10.1 → agox-3.10.2rc1}/agox/utils/thermodynamics/gibbs.py +0 -0
  377. {agox-3.10.1 → agox-3.10.2rc1}/agox/utils/thermodynamics/thermodynamics_data.py +0 -0
  378. {agox-3.10.1 → agox-3.10.2rc1}/agox/writer/__init__.py +0 -0
  379. {agox-3.10.1 → agox-3.10.2rc1}/agox/writer/utils.py +0 -0
  380. {agox-3.10.1 → agox-3.10.2rc1}/agox/writer/writer.py +0 -0
  381. {agox-3.10.1 → agox-3.10.2rc1}/agox.egg-info/dependency_links.txt +0 -0
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  383. {agox-3.10.1 → agox-3.10.2rc1}/agox.egg-info/requires.txt +0 -0
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  386. {agox-3.10.1 → agox-3.10.2rc1}/setup.py +0 -0
{agox-3.10.1 → agox-3.10.2rc1}/PKG-INFO RENAMED
@@ -1,6 +1,6 @@
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  Metadata-Version: 2.4
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  Name: agox
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- Version: 3.10.1
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+ Version: 3.10.2rc1
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  Summary: Atomistic Global Optimziation X is a framework for structure optimization in materials science.
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  Author: AGOX Developers
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  Author-email: "Mads-Peter V. Christiansen" <machri@phys.au.dk>, Nikolaj Rønne <nronne@phys.au.dk>, Bjørk Hammer <hammer@phys.au.dk>
{agox-3.10.1 → agox-3.10.2rc1}/agox/__init__.py RENAMED
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  import os
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  # Versioning
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- __version_info__ = (3, 10, 1)
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+ __version_info__ = (3, 10, 2)
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  __version__ = "{}.{}.{}".format(*__version_info__)
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  # Extra versioning - Mainly for managing Pypi releases.