mat3ra-esse 2025.1.27.post0__py3-none-any.whl → 2025.4.3.post0__py3-none-any.whl

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.

Potentially problematic release.


This version of mat3ra-esse might be problematic. Click here for more details.

Files changed (455) hide show
  1. mat3ra/esse/data/schemas.py +1 -1
  2. mat3ra/esse/models/__init__.py +1 -1
  3. mat3ra/esse/models/core/__init__.py +1 -1
  4. mat3ra/esse/models/core/abstract/_2d_data.py +17 -0
  5. mat3ra/esse/models/core/abstract/_2d_plot.py +34 -0
  6. mat3ra/esse/models/core/abstract/_3d_grid.py +14 -0
  7. mat3ra/esse/models/core/abstract/_3d_tensor.py +19 -0
  8. mat3ra/esse/models/core/abstract/_3d_vector_basis.py +15 -0
  9. mat3ra/esse/models/core/abstract/__init__.py +1 -1
  10. mat3ra/esse/models/core/abstract/point.py +1 -1
  11. mat3ra/esse/models/core/abstract/vector.py +1 -1
  12. mat3ra/esse/models/core/primitive/_1d_data_series.py +13 -0
  13. mat3ra/esse/models/core/primitive/_3d_lattice.py +34 -0
  14. mat3ra/esse/models/core/primitive/__init__.py +1 -1
  15. mat3ra/esse/models/core/primitive/array_of_3_booleans.py +1 -1
  16. mat3ra/esse/models/core/primitive/array_of_3_numbers.py +1 -1
  17. mat3ra/esse/models/core/primitive/array_of_ids.py +1 -1
  18. mat3ra/esse/models/core/primitive/array_of_strings.py +1 -1
  19. mat3ra/esse/models/core/primitive/axis.py +1 -1
  20. mat3ra/esse/models/core/primitive/group_info.py +1 -1
  21. mat3ra/esse/models/core/primitive/integer_one_or_zero.py +1 -1
  22. mat3ra/esse/models/core/primitive/integer_positive_single_digit.py +11 -0
  23. mat3ra/esse/models/core/primitive/linked_list/__init__.py +1 -1
  24. mat3ra/esse/models/core/primitive/linked_list/base_node.py +1 -1
  25. mat3ra/esse/models/core/primitive/linked_list/named_node.py +1 -1
  26. mat3ra/esse/models/core/primitive/linked_list/named_node_in_group.py +1 -1
  27. mat3ra/esse/models/core/primitive/linked_list/node_with_type.py +1 -1
  28. mat3ra/esse/models/core/primitive/scalar.py +1 -1
  29. mat3ra/esse/models/core/primitive/slugified_entry.py +1 -1
  30. mat3ra/esse/models/core/primitive/slugified_entry_or_slug.py +1 -1
  31. mat3ra/esse/models/core/primitive/string.py +1 -1
  32. mat3ra/esse/models/core/reference/__init__.py +1 -1
  33. mat3ra/esse/models/core/reference/exabyte.py +1 -1
  34. mat3ra/esse/models/core/reference/experiment/__init__.py +1 -1
  35. mat3ra/esse/models/core/reference/experiment/condition.py +1 -1
  36. mat3ra/esse/models/core/reference/experiment/location.py +1 -1
  37. mat3ra/esse/models/core/reference/literature/__init__.py +1 -1
  38. mat3ra/esse/models/core/reference/literature/name.py +1 -1
  39. mat3ra/esse/models/core/reference/literature/pages.py +1 -1
  40. mat3ra/esse/models/core/reference/modeling/__init__.py +1 -1
  41. mat3ra/esse/models/core/reference/modeling/exabyte.py +1 -1
  42. mat3ra/esse/models/core/reusable/__init__.py +1 -1
  43. mat3ra/esse/models/core/reusable/atomic_data/__init__.py +1 -1
  44. mat3ra/esse/models/core/reusable/atomic_data/per_orbital.py +1 -1
  45. mat3ra/esse/models/core/reusable/atomic_data/per_orbital_pair.py +1 -1
  46. mat3ra/esse/models/core/reusable/atomic_data/value_number.py +1 -1
  47. mat3ra/esse/models/core/reusable/atomic_data/value_string.py +1 -1
  48. mat3ra/esse/models/core/reusable/atomic_data_per_orbital_numeric.py +1 -1
  49. mat3ra/esse/models/core/reusable/atomic_data_per_orbital_pair_numeric.py +1 -1
  50. mat3ra/esse/models/core/reusable/atomic_orbital.py +1 -1
  51. mat3ra/esse/models/core/reusable/atomic_scalars.py +1 -1
  52. mat3ra/esse/models/core/reusable/atomic_strings.py +1 -1
  53. mat3ra/esse/models/core/reusable/atomic_vectors.py +1 -1
  54. mat3ra/esse/models/core/reusable/band_gap.py +1 -1
  55. mat3ra/esse/models/core/reusable/categories.py +1 -1
  56. mat3ra/esse/models/core/reusable/category_path.py +1 -1
  57. mat3ra/esse/models/core/reusable/dielectric_tensor_component.py +1 -1
  58. mat3ra/esse/models/core/reusable/energy.py +3 -3
  59. mat3ra/esse/models/core/reusable/file_metadata.py +1 -1
  60. mat3ra/esse/models/core/reusable/frequency_function_matrix.py +1 -1
  61. mat3ra/esse/models/core/reusable/object_storage_container_data.py +1 -1
  62. mat3ra/esse/models/definitions/__init__.py +1 -1
  63. mat3ra/esse/models/definitions/constants.py +40 -0
  64. mat3ra/esse/models/definitions/units.py +4 -4
  65. mat3ra/esse/models/element.py +7 -8
  66. mat3ra/esse/models/in_memory_entity/__init__.py +1 -1
  67. mat3ra/esse/models/in_memory_entity/base.py +1 -1
  68. mat3ra/esse/models/in_memory_entity/defaultable.py +1 -1
  69. mat3ra/esse/models/in_memory_entity/has_consistency_check_has_metadata_named_defaultable.py +1 -1
  70. mat3ra/esse/models/in_memory_entity/named.py +1 -1
  71. mat3ra/esse/models/in_memory_entity/named_defaultable.py +1 -1
  72. mat3ra/esse/models/in_memory_entity/named_defaultable_has_metadata.py +1 -1
  73. mat3ra/esse/models/in_memory_entity/named_defaultable_runtime_items.py +1 -1
  74. mat3ra/esse/models/job/__init__.py +12 -13
  75. mat3ra/esse/models/job/base.py +1 -1
  76. mat3ra/esse/models/job/compute.py +1 -1
  77. mat3ra/esse/models/material/__init__.py +41 -71
  78. mat3ra/esse/models/material/consistency_check.py +1 -1
  79. mat3ra/esse/models/material/conventional.py +1 -1
  80. mat3ra/esse/models/method/__init__.py +1 -1
  81. mat3ra/esse/models/method/categorized_method.py +1 -1
  82. mat3ra/esse/models/method/method_parameters.py +1 -1
  83. mat3ra/esse/models/method/unit_method.py +1 -1
  84. mat3ra/esse/models/methods_category/mathematical/__init__.py +1 -1
  85. mat3ra/esse/models/methods_category/mathematical/diff/__init__.py +1 -1
  86. mat3ra/esse/models/methods_category/mathematical/diff/enum_options.py +1 -1
  87. mat3ra/esse/models/methods_category/mathematical/diff/fd.py +1 -1
  88. mat3ra/esse/models/methods_category/mathematical/discr/__init__.py +1 -1
  89. mat3ra/esse/models/methods_category/mathematical/discr/enum_options.py +1 -1
  90. mat3ra/esse/models/methods_category/mathematical/discr/mesh/__init__.py +1 -1
  91. mat3ra/esse/models/methods_category/mathematical/discr/mesh/enum_options.py +1 -1
  92. mat3ra/esse/models/methods_category/mathematical/discr/mesh/hybrid.py +1 -1
  93. mat3ra/esse/models/methods_category/mathematical/discr/mesh/nstruct.py +1 -1
  94. mat3ra/esse/models/methods_category/mathematical/discr/mesh/struct/__init__.py +1 -1
  95. mat3ra/esse/models/methods_category/mathematical/discr/mesh/struct/cartesian.py +1 -1
  96. mat3ra/esse/models/methods_category/mathematical/discr/mesh/struct/enum_options.py +1 -1
  97. mat3ra/esse/models/methods_category/mathematical/enum_options.py +1 -1
  98. mat3ra/esse/models/methods_category/mathematical/fapprx/__init__.py +1 -1
  99. mat3ra/esse/models/methods_category/mathematical/fapprx/basisexp.py +1 -1
  100. mat3ra/esse/models/methods_category/mathematical/fapprx/enum_options.py +1 -1
  101. mat3ra/esse/models/methods_category/mathematical/fapprx/ipol/__init__.py +1 -1
  102. mat3ra/esse/models/methods_category/mathematical/fapprx/ipol/enum_options.py +1 -1
  103. mat3ra/esse/models/methods_category/mathematical/fapprx/ipol/lin.py +1 -1
  104. mat3ra/esse/models/methods_category/mathematical/fapprx/ipol/poly.py +1 -1
  105. mat3ra/esse/models/methods_category/mathematical/fapprx/ipol/spline.py +1 -1
  106. mat3ra/esse/models/methods_category/mathematical/intgr/__init__.py +1 -1
  107. mat3ra/esse/models/methods_category/mathematical/intgr/analytic/__init__.py +1 -1
  108. mat3ra/esse/models/methods_category/mathematical/intgr/analytic/enum_options.py +1 -1
  109. mat3ra/esse/models/methods_category/mathematical/intgr/analytic/volume.py +1 -1
  110. mat3ra/esse/models/methods_category/mathematical/intgr/diffeq/__init__.py +1 -1
  111. mat3ra/esse/models/methods_category/mathematical/intgr/diffeq/enum_options.py +1 -1
  112. mat3ra/esse/models/methods_category/mathematical/intgr/diffeq/order1.py +1 -1
  113. mat3ra/esse/models/methods_category/mathematical/intgr/diffeq/order2.py +1 -1
  114. mat3ra/esse/models/methods_category/mathematical/intgr/enum_options.py +1 -1
  115. mat3ra/esse/models/methods_category/mathematical/intgr/numquad/__init__.py +1 -1
  116. mat3ra/esse/models/methods_category/mathematical/intgr/numquad/enum_options.py +1 -1
  117. mat3ra/esse/models/methods_category/mathematical/intgr/numquad/gauss.py +1 -1
  118. mat3ra/esse/models/methods_category/mathematical/intgr/numquad/newcot.py +1 -1
  119. mat3ra/esse/models/methods_category/mathematical/intgr/transf/__init__.py +1 -1
  120. mat3ra/esse/models/methods_category/mathematical/intgr/transf/enum_options.py +1 -1
  121. mat3ra/esse/models/methods_category/mathematical/intgr/transf/fourier.py +1 -1
  122. mat3ra/esse/models/methods_category/mathematical/linalg/__init__.py +1 -1
  123. mat3ra/esse/models/methods_category/mathematical/linalg/dcomp.py +1 -1
  124. mat3ra/esse/models/methods_category/mathematical/linalg/diag/__init__.py +1 -1
  125. mat3ra/esse/models/methods_category/mathematical/linalg/diag/davidson.py +1 -1
  126. mat3ra/esse/models/methods_category/mathematical/linalg/diag/enum_options.py +1 -1
  127. mat3ra/esse/models/methods_category/mathematical/linalg/enum_options.py +1 -1
  128. mat3ra/esse/models/methods_category/mathematical/linalg/lintra.py +1 -1
  129. mat3ra/esse/models/methods_category/mathematical/linalg/matf.py +1 -1
  130. mat3ra/esse/models/methods_category/mathematical/opt/__init__.py +1 -1
  131. mat3ra/esse/models/methods_category/mathematical/opt/diff/__init__.py +1 -1
  132. mat3ra/esse/models/methods_category/mathematical/opt/diff/bracket.py +1 -1
  133. mat3ra/esse/models/methods_category/mathematical/opt/diff/enum_options.py +1 -1
  134. mat3ra/esse/models/methods_category/mathematical/opt/diff/local.py +1 -1
  135. mat3ra/esse/models/methods_category/mathematical/opt/diff/order1.py +1 -1
  136. mat3ra/esse/models/methods_category/mathematical/opt/diff/order2.py +1 -1
  137. mat3ra/esse/models/methods_category/mathematical/opt/diff/ordern/__init__.py +1 -1
  138. mat3ra/esse/models/methods_category/mathematical/opt/diff/ordern/cg.py +1 -1
  139. mat3ra/esse/models/methods_category/mathematical/opt/diff/ordern/enum_options.py +1 -1
  140. mat3ra/esse/models/methods_category/mathematical/opt/enum_options.py +1 -1
  141. mat3ra/esse/models/methods_category/mathematical/opt/ndiff/__init__.py +1 -1
  142. mat3ra/esse/models/methods_category/mathematical/opt/ndiff/direct.py +1 -1
  143. mat3ra/esse/models/methods_category/mathematical/opt/ndiff/enum_options.py +1 -1
  144. mat3ra/esse/models/methods_category/mathematical/opt/ndiff/pop.py +1 -1
  145. mat3ra/esse/models/methods_category/mathematical/opt/ndiff/stoch.py +1 -1
  146. mat3ra/esse/models/methods_category/mathematical/opt/root/__init__.py +1 -1
  147. mat3ra/esse/models/methods_category/mathematical/opt/root/bracket.py +1 -1
  148. mat3ra/esse/models/methods_category/mathematical/opt/root/enum_options.py +1 -1
  149. mat3ra/esse/models/methods_category/mathematical/opt/root/iter.py +1 -1
  150. mat3ra/esse/models/methods_category/mathematical/regression.py +1 -1
  151. mat3ra/esse/models/methods_category/physical/__init__.py +1 -1
  152. mat3ra/esse/models/methods_category/physical/enum_options.py +1 -1
  153. mat3ra/esse/models/methods_category/physical/qm/__init__.py +1 -1
  154. mat3ra/esse/models/methods_category/physical/qm/enum_options.py +1 -1
  155. mat3ra/esse/models/methods_category/physical/qm/wf/__init__.py +1 -1
  156. mat3ra/esse/models/methods_category/physical/qm/wf/ao/__init__.py +1 -1
  157. mat3ra/esse/models/methods_category/physical/qm/wf/ao/dunning.py +1 -1
  158. mat3ra/esse/models/methods_category/physical/qm/wf/ao/other.py +1 -1
  159. mat3ra/esse/models/methods_category/physical/qm/wf/ao/pople.py +1 -1
  160. mat3ra/esse/models/methods_category/physical/qm/wf/enum_options.py +1 -1
  161. mat3ra/esse/models/methods_category/physical/qm/wf/psp.py +1 -1
  162. mat3ra/esse/models/methods_category/physical/qm/wf/pw.py +1 -1
  163. mat3ra/esse/models/methods_category/physical/qm/wf/smearing.py +1 -1
  164. mat3ra/esse/models/methods_category/physical/qm/wf/tetrahedron.py +1 -1
  165. mat3ra/esse/models/methods_directory/legacy/__init__.py +1 -1
  166. mat3ra/esse/models/methods_directory/legacy/localorbital.py +1 -1
  167. mat3ra/esse/models/methods_directory/legacy/pseudopotential.py +1 -1
  168. mat3ra/esse/models/methods_directory/legacy/regression.py +1 -1
  169. mat3ra/esse/models/methods_directory/legacy/unknown.py +1 -1
  170. mat3ra/esse/models/methods_directory/mathematical/__init__.py +1 -1
  171. mat3ra/esse/models/methods_directory/mathematical/cg.py +1 -1
  172. mat3ra/esse/models/methods_directory/mathematical/davidson.py +1 -1
  173. mat3ra/esse/models/methods_directory/mathematical/regression/__init__.py +1 -1
  174. mat3ra/esse/models/methods_directory/mathematical/regression/data.py +1 -1
  175. mat3ra/esse/models/methods_directory/mathematical/regression/dataset.py +1 -1
  176. mat3ra/esse/models/methods_directory/mathematical/regression/kernel_ridge/__init__.py +1 -1
  177. mat3ra/esse/models/methods_directory/mathematical/regression/kernel_ridge/data_per_property.py +1 -1
  178. mat3ra/esse/models/methods_directory/mathematical/regression/linear/__init__.py +1 -1
  179. mat3ra/esse/models/methods_directory/mathematical/regression/linear/data_per_property.py +1 -1
  180. mat3ra/esse/models/methods_directory/mathematical/regression/per_feature_item.py +1 -1
  181. mat3ra/esse/models/methods_directory/mathematical/regression/precision.py +1 -1
  182. mat3ra/esse/models/methods_directory/mathematical/regression/precision_per_property.py +1 -1
  183. mat3ra/esse/models/methods_directory/physical/__init__.py +1 -1
  184. mat3ra/esse/models/methods_directory/physical/ao/__init__.py +1 -1
  185. mat3ra/esse/models/methods_directory/physical/ao/dunning.py +1 -1
  186. mat3ra/esse/models/methods_directory/physical/ao/enum_options.py +1 -1
  187. mat3ra/esse/models/methods_directory/physical/ao/other.py +1 -1
  188. mat3ra/esse/models/methods_directory/physical/ao/pople.py +1 -1
  189. mat3ra/esse/models/methods_directory/physical/psp/__init__.py +1 -1
  190. mat3ra/esse/models/methods_directory/physical/psp/file.py +1 -1
  191. mat3ra/esse/models/methods_directory/physical/psp/file_data_item.py +1 -1
  192. mat3ra/esse/models/methods_directory/physical/pw.py +1 -1
  193. mat3ra/esse/models/methods_directory/physical/smearing.py +1 -1
  194. mat3ra/esse/models/methods_directory/physical/tetrahedron.py +1 -1
  195. mat3ra/esse/models/model/__init__.py +1 -1
  196. mat3ra/esse/models/model/categorized_model.py +1 -1
  197. mat3ra/esse/models/model/mixins/__init__.py +1 -1
  198. mat3ra/esse/models/model/mixins/dft/__init__.py +1 -3
  199. mat3ra/esse/models/model/mixins/dft/double_hybrid_functional.py +1 -1
  200. mat3ra/esse/models/model/mixins/dft/enum_options.py +1 -1
  201. mat3ra/esse/models/model/mixins/dft/gga_functional.py +1 -1
  202. mat3ra/esse/models/model/mixins/dft/hybrid_functional.py +1 -1
  203. mat3ra/esse/models/model/mixins/dft/lda_functional.py +1 -1
  204. mat3ra/esse/models/model/mixins/dft/mgga_functional.py +1 -1
  205. mat3ra/esse/models/model/mixins/dispersion_correction.py +1 -1
  206. mat3ra/esse/models/model/mixins/enum_options.py +1 -1
  207. mat3ra/esse/models/model/mixins/hubbard.py +1 -1
  208. mat3ra/esse/models/model/mixins/spin_orbit_coupling.py +1 -1
  209. mat3ra/esse/models/model/mixins/spin_polarization.py +1 -1
  210. mat3ra/esse/models/model/model_parameters.py +1 -1
  211. mat3ra/esse/models/model/model_without_method.py +1 -1
  212. mat3ra/esse/models/models_category/__init__.py +1 -1
  213. mat3ra/esse/models/models_category/enum_options.py +1 -1
  214. mat3ra/esse/models/models_category/pb/__init__.py +1 -1
  215. mat3ra/esse/models/models_category/pb/enum_options.py +1 -1
  216. mat3ra/esse/models/models_category/pb/qm/__init__.py +1 -1
  217. mat3ra/esse/models/models_category/pb/qm/abin/__init__.py +1 -1
  218. mat3ra/esse/models/models_category/pb/qm/abin/enum_options.py +1 -1
  219. mat3ra/esse/models/models_category/pb/qm/abin/gw.py +1 -1
  220. mat3ra/esse/models/models_category/pb/qm/dft/__init__.py +1 -1
  221. mat3ra/esse/models/models_category/pb/qm/dft/enum_options.py +1 -1
  222. mat3ra/esse/models/models_category/pb/qm/dft/ksdft/__init__.py +1 -1
  223. mat3ra/esse/models/models_category/pb/qm/dft/ksdft/double_hybrid.py +1 -1
  224. mat3ra/esse/models/models_category/pb/qm/dft/ksdft/enum_options.py +1 -1
  225. mat3ra/esse/models/models_category/pb/qm/dft/ksdft/gga.py +1 -1
  226. mat3ra/esse/models/models_category/pb/qm/dft/ksdft/hybrid.py +1 -1
  227. mat3ra/esse/models/models_category/pb/qm/dft/ksdft/lda.py +1 -1
  228. mat3ra/esse/models/models_category/pb/qm/dft/ksdft/mgga.py +1 -1
  229. mat3ra/esse/models/models_category/pb/qm/enum_options.py +1 -1
  230. mat3ra/esse/models/models_category/pb/qm/semp.py +1 -1
  231. mat3ra/esse/models/models_category/st/__init__.py +1 -1
  232. mat3ra/esse/models/models_category/st/det/__init__.py +1 -1
  233. mat3ra/esse/models/models_category/st/det/enum_options.py +1 -1
  234. mat3ra/esse/models/models_category/st/det/ml/__init__.py +1 -1
  235. mat3ra/esse/models/models_category/st/det/ml/enum_options.py +1 -1
  236. mat3ra/esse/models/models_category/st/det/ml/re.py +1 -1
  237. mat3ra/esse/models/models_category/st/enum_options.py +1 -1
  238. mat3ra/esse/models/models_directory/__init__.py +1 -1
  239. mat3ra/esse/models/models_directory/double_hybrid.py +1 -1
  240. mat3ra/esse/models/models_directory/gga.py +1 -1
  241. mat3ra/esse/models/models_directory/gw.py +1 -1
  242. mat3ra/esse/models/models_directory/hybrid.py +1 -1
  243. mat3ra/esse/models/models_directory/lda.py +1 -1
  244. mat3ra/esse/models/models_directory/legacy/__init__.py +1 -1
  245. mat3ra/esse/models/models_directory/legacy/dft.py +1 -1
  246. mat3ra/esse/models/models_directory/legacy/ml.py +1 -1
  247. mat3ra/esse/models/models_directory/legacy/unknown.py +1 -1
  248. mat3ra/esse/models/models_directory/mgga.py +1 -1
  249. mat3ra/esse/models/models_directory/re.py +1 -1
  250. mat3ra/esse/models/project.py +1 -1
  251. mat3ra/esse/models/properties_directory/__init__.py +1 -1
  252. mat3ra/esse/models/properties_directory/derived_properties.py +6 -7
  253. mat3ra/esse/models/properties_directory/electronic_configuration.py +1 -1
  254. mat3ra/esse/models/properties_directory/elemental/__init__.py +1 -1
  255. mat3ra/esse/models/properties_directory/elemental/atomic_radius.py +5 -6
  256. mat3ra/esse/models/properties_directory/elemental/electronegativity.py +1 -1
  257. mat3ra/esse/models/properties_directory/elemental/ionization_potential.py +1 -1
  258. mat3ra/esse/models/properties_directory/non_scalar/__init__.py +1 -1
  259. mat3ra/esse/models/properties_directory/non_scalar/average_potential_profile.py +5 -6
  260. mat3ra/esse/models/properties_directory/non_scalar/band_gaps.py +1 -1
  261. mat3ra/esse/models/properties_directory/non_scalar/band_structure.py +2 -11
  262. mat3ra/esse/models/properties_directory/non_scalar/charge_density_profile.py +3 -3
  263. mat3ra/esse/models/properties_directory/non_scalar/density_of_states.py +5 -5
  264. mat3ra/esse/models/properties_directory/non_scalar/dielectric_tensor.py +1 -1
  265. mat3ra/esse/models/properties_directory/non_scalar/file_content.py +1 -1
  266. mat3ra/esse/models/properties_directory/non_scalar/hubbard_u.py +1 -1
  267. mat3ra/esse/models/properties_directory/non_scalar/hubbard_v.py +1 -1
  268. mat3ra/esse/models/properties_directory/non_scalar/hubbard_v_nn.py +1 -1
  269. mat3ra/esse/models/properties_directory/non_scalar/phonon_dispersions.py +6 -15
  270. mat3ra/esse/models/properties_directory/non_scalar/phonon_dos.py +5 -5
  271. mat3ra/esse/models/properties_directory/non_scalar/potential_profile.py +3 -3
  272. mat3ra/esse/models/properties_directory/non_scalar/reaction_energy_profile.py +3 -3
  273. mat3ra/esse/models/properties_directory/non_scalar/stress_tensor.py +4 -4
  274. mat3ra/esse/models/properties_directory/non_scalar/total_energy_contributions.py +27 -27
  275. mat3ra/esse/models/properties_directory/non_scalar/vibrational_spectrum.py +5 -5
  276. mat3ra/esse/models/properties_directory/scalar/__init__.py +1 -1
  277. mat3ra/esse/models/properties_directory/scalar/electron_affinity.py +3 -3
  278. mat3ra/esse/models/properties_directory/scalar/fermi_energy.py +3 -3
  279. mat3ra/esse/models/properties_directory/scalar/formation_energy.py +3 -3
  280. mat3ra/esse/models/properties_directory/scalar/ionization_potential.py +3 -3
  281. mat3ra/esse/models/properties_directory/scalar/pressure.py +1 -1
  282. mat3ra/esse/models/properties_directory/scalar/reaction_energy_barrier.py +3 -3
  283. mat3ra/esse/models/properties_directory/scalar/surface_energy.py +3 -3
  284. mat3ra/esse/models/properties_directory/scalar/total_energy.py +3 -3
  285. mat3ra/esse/models/properties_directory/scalar/total_force.py +1 -1
  286. mat3ra/esse/models/properties_directory/scalar/valence_band_offset.py +3 -3
  287. mat3ra/esse/models/properties_directory/scalar/zero_point_energy.py +3 -3
  288. mat3ra/esse/models/properties_directory/structural/__init__.py +1 -1
  289. mat3ra/esse/models/properties_directory/structural/atomic_forces.py +1 -1
  290. mat3ra/esse/models/properties_directory/structural/basis/__init__.py +10 -36
  291. mat3ra/esse/models/properties_directory/structural/basis/atomic_constraints.py +1 -1
  292. mat3ra/esse/models/properties_directory/structural/basis/atomic_coordinate.py +1 -1
  293. mat3ra/esse/models/properties_directory/structural/basis/atomic_coordinates.py +5 -6
  294. mat3ra/esse/models/properties_directory/structural/basis/atomic_element.py +1 -1
  295. mat3ra/esse/models/properties_directory/structural/basis/atomic_label.py +14 -0
  296. mat3ra/esse/models/properties_directory/structural/basis/bonds.py +1 -1
  297. mat3ra/esse/models/properties_directory/structural/density.py +1 -1
  298. mat3ra/esse/models/properties_directory/structural/elemental_ratio.py +1 -1
  299. mat3ra/esse/models/properties_directory/structural/inchi.py +1 -1
  300. mat3ra/esse/models/properties_directory/structural/inchi_key.py +1 -1
  301. mat3ra/esse/models/properties_directory/structural/lattice/__init__.py +14 -17
  302. mat3ra/esse/models/properties_directory/structural/lattice/lattice_bravais.py +10 -7
  303. mat3ra/esse/models/properties_directory/structural/lattice/lattice_vectors.py +5 -6
  304. mat3ra/esse/models/properties_directory/structural/lattice/type_enum.py +2 -2
  305. mat3ra/esse/models/properties_directory/structural/lattice/type_extended_enum.py +4 -3
  306. mat3ra/esse/models/properties_directory/structural/magnetic_moments.py +1 -1
  307. mat3ra/esse/models/properties_directory/structural/molecular_pattern.py +5 -5
  308. mat3ra/esse/models/properties_directory/structural/p_norm.py +1 -1
  309. mat3ra/esse/models/properties_directory/structural/patterns/__init__.py +1 -1
  310. mat3ra/esse/models/properties_directory/structural/patterns/functional_group.py +1 -1
  311. mat3ra/esse/models/properties_directory/structural/patterns/ring.py +1 -1
  312. mat3ra/esse/models/properties_directory/structural/patterns/special_bond.py +1 -1
  313. mat3ra/esse/models/properties_directory/structural/symmetry.py +1 -1
  314. mat3ra/esse/models/properties_directory/structural/volume.py +1 -1
  315. mat3ra/esse/models/properties_directory/workflow/convergence/__init__.py +1 -1
  316. mat3ra/esse/models/properties_directory/workflow/convergence/electronic.py +1 -1
  317. mat3ra/esse/models/properties_directory/workflow/convergence/ionic.py +3 -3
  318. mat3ra/esse/models/properties_directory/workflow/convergence/kpoint.py +1 -1
  319. mat3ra/esse/models/property/__init__.py +1 -1
  320. mat3ra/esse/models/property/base/The_source_of_a_property/__init__.py +1 -3
  321. mat3ra/esse/models/property/base/The_source_of_a_property/field_This_could_be_an_article__a_simulation_on_Exabyte__an_external_simulation__etc.py +1 -1
  322. mat3ra/esse/models/property/base.py +200 -0
  323. mat3ra/esse/models/property/meta/The_source_of_a_property/__init__.py +1 -3
  324. mat3ra/esse/models/property/meta/The_source_of_a_property/field_This_could_be_an_article__a_simulation_on_Exabyte__an_external_simulation__etc.py +1 -1
  325. mat3ra/esse/models/property/meta.py +200 -0
  326. mat3ra/esse/models/property/raw/The_source_of_a_property/__init__.py +1 -3
  327. mat3ra/esse/models/property/raw/The_source_of_a_property/field_This_could_be_an_article__a_simulation_on_Exabyte__an_external_simulation__etc.py +1 -1
  328. mat3ra/esse/models/property/raw.py +200 -0
  329. mat3ra/esse/models/property/source/The_source_of_a_property/__init__.py +1 -3
  330. mat3ra/esse/models/property/source/The_source_of_a_property/field_This_could_be_an_article__a_simulation_on_Exabyte__an_external_simulation__etc.py +1 -1
  331. mat3ra/esse/models/property/source.py +150 -0
  332. mat3ra/esse/models/software/__init__.py +1 -1
  333. mat3ra/esse/models/software/application.py +1 -1
  334. mat3ra/esse/models/software/executable.py +1 -1
  335. mat3ra/esse/models/software/flavor.py +1 -1
  336. mat3ra/esse/models/software/template.py +1 -1
  337. mat3ra/esse/models/software_directory/ml/__init__.py +1 -1
  338. mat3ra/esse/models/software_directory/ml/exabyteml.py +1 -1
  339. mat3ra/esse/models/software_directory/ml/unit/__init__.py +1 -1
  340. mat3ra/esse/models/software_directory/ml/unit/execution/__init__.py +1 -1
  341. mat3ra/esse/models/software_directory/ml/unit/execution/evaluate/__init__.py +1 -3
  342. mat3ra/esse/models/software_directory/ml/unit/execution/evaluate/cross_validate.py +1 -1
  343. mat3ra/esse/models/software_directory/ml/unit/execution/initialize.py +1 -1
  344. mat3ra/esse/models/software_directory/ml/unit/execution/score.py +1 -1
  345. mat3ra/esse/models/software_directory/ml/unit/execution/train.py +1 -1
  346. mat3ra/esse/models/software_directory/ml/unit/processing/__init__.py +2 -2
  347. mat3ra/esse/models/software_directory/ml/unit/processing/data_transformation/__init__.py +2 -2
  348. mat3ra/esse/models/software_directory/ml/unit/processing/data_transformation/manipulation.py +4 -4
  349. mat3ra/esse/models/software_directory/ml/unit/processing/data_transformation/scale_and_reduce.py +2 -2
  350. mat3ra/esse/models/software_directory/ml/unit/processing/feature_selection/__init__.py +1 -1
  351. mat3ra/esse/models/software_directory/ml/unit/processing/feature_selection/filter_based.py +1 -1
  352. mat3ra/esse/models/software_directory/modeling/__init__.py +1 -1
  353. mat3ra/esse/models/software_directory/modeling/deepmd.py +1 -1
  354. mat3ra/esse/models/software_directory/modeling/espresso/__init__.py +1 -1
  355. mat3ra/esse/models/software_directory/modeling/espresso/arguments.py +1 -1
  356. mat3ra/esse/models/software_directory/modeling/nwchem.py +1 -1
  357. mat3ra/esse/models/software_directory/modeling/unit/__init__.py +1 -1
  358. mat3ra/esse/models/software_directory/modeling/unit/execution.py +1 -1
  359. mat3ra/esse/models/software_directory/modeling/vasp.py +1 -1
  360. mat3ra/esse/models/software_directory/scripting/__init__.py +1 -1
  361. mat3ra/esse/models/software_directory/scripting/jupyter_lab.py +1 -1
  362. mat3ra/esse/models/software_directory/scripting/python.py +1 -1
  363. mat3ra/esse/models/software_directory/scripting/shell.py +1 -1
  364. mat3ra/esse/models/software_directory/scripting/unit/__init__.py +1 -1
  365. mat3ra/esse/models/software_directory/scripting/unit/execution.py +1 -1
  366. mat3ra/esse/models/system/__init__.py +1 -1
  367. mat3ra/esse/models/system/_material.py +1 -1
  368. mat3ra/esse/models/system/_parent_job.py +1 -1
  369. mat3ra/esse/models/system/_project.py +1 -1
  370. mat3ra/esse/models/system/bankable.py +1 -1
  371. mat3ra/esse/models/system/consistency_check.py +1 -1
  372. mat3ra/esse/models/system/creator.py +1 -1
  373. mat3ra/esse/models/system/creator_account.py +1 -1
  374. mat3ra/esse/models/system/database_source.py +1 -1
  375. mat3ra/esse/models/system/defaultable.py +1 -1
  376. mat3ra/esse/models/system/description.py +1 -1
  377. mat3ra/esse/models/system/entity_reference.py +1 -1
  378. mat3ra/esse/models/system/file_source.py +1 -1
  379. mat3ra/esse/models/system/has_consistency_check.py +1 -1
  380. mat3ra/esse/models/system/history.py +1 -1
  381. mat3ra/esse/models/system/iframe_message.py +1 -1
  382. mat3ra/esse/models/system/in_set.py +1 -1
  383. mat3ra/esse/models/system/is_multi_material.py +1 -1
  384. mat3ra/esse/models/system/is_outdated.py +1 -1
  385. mat3ra/esse/models/system/job_extended.py +1 -1
  386. mat3ra/esse/models/system/message.py +1 -1
  387. mat3ra/esse/models/system/metadata.py +1 -1
  388. mat3ra/esse/models/system/name.py +1 -1
  389. mat3ra/esse/models/system/owner.py +1 -1
  390. mat3ra/esse/models/system/path.py +1 -1
  391. mat3ra/esse/models/system/path_entity.py +1 -1
  392. mat3ra/esse/models/system/schema_version.py +1 -1
  393. mat3ra/esse/models/system/scope.py +1 -1
  394. mat3ra/esse/models/system/set.py +1 -1
  395. mat3ra/esse/models/system/sharing.py +1 -1
  396. mat3ra/esse/models/system/soft_removable.py +1 -1
  397. mat3ra/esse/models/system/status.py +1 -1
  398. mat3ra/esse/models/system/tags.py +1 -1
  399. mat3ra/esse/models/system/timestampable.py +5 -4
  400. mat3ra/esse/models/system/use_values.py +1 -1
  401. mat3ra/esse/models/third_party/db/nist_jarvis/{2024.3.13 → 2024_3.13}/__init__.py +1 -1
  402. mat3ra/esse/models/third_party/db/nist_jarvis/{2024.3.13 → 2024_3.13}/atoms.py +4 -4
  403. mat3ra/esse/models/third_party/db/nist_jarvis/{2024.3.13 → 2024_3.13}/db_entry.py +4 -4
  404. mat3ra/esse/models/third_party/file/applications/espresso/7.2/__init__.py +1 -1
  405. mat3ra/esse/models/third_party/file/applications/espresso/7.2/pw.x/__init__.py +2 -1989
  406. mat3ra/esse/models/third_party/file/applications/espresso/7.2/pw.x/atomic_positions.py +1 -1
  407. mat3ra/esse/models/third_party/file/applications/espresso/7.2/pw.x/atomic_species.py +1 -1
  408. mat3ra/esse/models/third_party/file/applications/espresso/7.2/pw.x/cell.py +1 -1
  409. mat3ra/esse/models/third_party/file/applications/espresso/7.2/pw.x/cell_parameters.py +1 -1
  410. mat3ra/esse/models/third_party/file/applications/espresso/7.2/pw.x/control.py +1 -1
  411. mat3ra/esse/models/third_party/file/applications/espresso/7.2/pw.x/electrons.py +1 -1
  412. mat3ra/esse/models/third_party/file/applications/espresso/7.2/pw.x/hubbard.py +6 -6
  413. mat3ra/esse/models/third_party/file/applications/espresso/7.2/pw.x/ions.py +1 -1
  414. mat3ra/esse/models/third_party/file/applications/espresso/7.2/pw.x/k_points.py +1 -1
  415. mat3ra/esse/models/third_party/file/applications/espresso/7.2/pw.x/system.py +1 -1
  416. mat3ra/esse/models/third_party/file/applications/espresso/7.2/pw_x.py +1990 -0
  417. mat3ra/esse/models/workflow/__init__.py +12 -13
  418. mat3ra/esse/models/workflow/base.py +1 -1
  419. mat3ra/esse/models/workflow/base_flow.py +1 -1
  420. mat3ra/esse/models/workflow/scope.py +1 -1
  421. mat3ra/esse/models/workflow/subworkflow/__init__.py +6 -7
  422. mat3ra/esse/models/workflow/subworkflow/unit.py +6 -7
  423. mat3ra/esse/models/workflow/unit/__init__.py +8 -9
  424. mat3ra/esse/models/workflow/unit/assertion.py +1 -1
  425. mat3ra/esse/models/workflow/unit/assignment.py +1 -1
  426. mat3ra/esse/models/workflow/unit/base.py +1 -1
  427. mat3ra/esse/models/workflow/unit/condition.py +1 -1
  428. mat3ra/esse/models/workflow/unit/execution.py +1 -1
  429. mat3ra/esse/models/workflow/unit/input/__init__.py +1 -1
  430. mat3ra/esse/models/workflow/unit/input/_input.py +1 -1
  431. mat3ra/esse/models/workflow/unit/input/_inputItem.py +1 -1
  432. mat3ra/esse/models/workflow/unit/input/_inputItemId.py +1 -1
  433. mat3ra/esse/models/workflow/unit/input/_inputItemScope.py +1 -1
  434. mat3ra/esse/models/workflow/unit/input/_map_input/__init__.py +1 -1
  435. mat3ra/esse/models/workflow/unit/input/_map_input/values.py +1 -1
  436. mat3ra/esse/models/workflow/unit/io/__init__.py +2 -2
  437. mat3ra/esse/models/workflow/unit/io/api.py +1 -1
  438. mat3ra/esse/models/workflow/unit/io/db.py +3 -3
  439. mat3ra/esse/models/workflow/unit/io/object_storage.py +1 -1
  440. mat3ra/esse/models/workflow/unit/map.py +1 -1
  441. mat3ra/esse/models/workflow/unit/processing.py +1 -1
  442. mat3ra/esse/models/workflow/unit/reduce.py +1 -1
  443. mat3ra/esse/models/workflow/unit/runtime/__init__.py +1 -1
  444. mat3ra/esse/models/workflow/unit/runtime/_runtime_item_full_object.py +1 -1
  445. mat3ra/esse/models/workflow/unit/runtime/_runtime_item_name_object.py +1 -1
  446. mat3ra/esse/models/workflow/unit/runtime/_runtime_item_string.py +1 -1
  447. mat3ra/esse/models/workflow/unit/runtime/runtime_item.py +1 -1
  448. mat3ra/esse/models/workflow/unit/runtime/runtime_items.py +1 -1
  449. mat3ra/esse/models/workflow/unit/subworkflow.py +1 -1
  450. {mat3ra_esse-2025.1.27.post0.dist-info → mat3ra_esse-2025.4.3.post0.dist-info}/METADATA +3 -2
  451. mat3ra_esse-2025.4.3.post0.dist-info/RECORD +471 -0
  452. {mat3ra_esse-2025.1.27.post0.dist-info → mat3ra_esse-2025.4.3.post0.dist-info}/WHEEL +1 -1
  453. mat3ra_esse-2025.1.27.post0.dist-info/RECORD +0 -456
  454. {mat3ra_esse-2025.1.27.post0.dist-info → mat3ra_esse-2025.4.3.post0.dist-info/licenses}/LICENSE.md +0 -0
  455. {mat3ra_esse-2025.1.27.post0.dist-info → mat3ra_esse-2025.4.3.post0.dist-info}/top_level.txt +0 -0
@@ -0,0 +1,471 @@
1
+ mat3ra/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
2
+ mat3ra/esse/__init__.py,sha256=nN0dOkxbOK6sWOTNr8aBGi9bQsI9sy6B2nn0UP29-sI,1244
3
+ mat3ra/esse/utils.py,sha256=-FexdtkOYGEWmwJUwWDuJferibc7M1YzUH738Bffuxo,1727
4
+ mat3ra/esse/data/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
5
+ mat3ra/esse/data/examples.py,sha256=foCkPV0bI0Mu3aoNB8ot6W6moANpdD8-3l6DxSg1w1s,45982
6
+ mat3ra/esse/data/properties.py,sha256=geWFIVIJbdn2Q_JG3Mz36oQ_dXeZZwnmlS_NgszvHUY,6099
7
+ mat3ra/esse/data/schemas.py,sha256=vyBwj3Gf8bMHi8V8VBnjkcDG-XH6HsCHGmIiE5AB70c,1564912
8
+ mat3ra/esse/models/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
9
+ mat3ra/esse/models/element.py,sha256=MRHYZ2K8r_pqKhkwRRMk3Wn2abJcgFk3NU5Wf1VBS4Y,1341
10
+ mat3ra/esse/models/project.py,sha256=fqUckRBLyCzVc_77-EtQUg_zFDV_zTYfnLmOoE77zPE,1148
11
+ mat3ra/esse/models/core/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
12
+ mat3ra/esse/models/core/abstract/2d_data.py,sha256=QiWkaGXriph7QwLWF3LuRddSal7fLEakNMh2DkuCNCc,426
13
+ mat3ra/esse/models/core/abstract/2d_plot.py,sha256=q2qJuDQ10UtiJvZcGzWWv9T9qHJ8HwP-kING3w6cUWM,812
14
+ mat3ra/esse/models/core/abstract/3d_grid.py,sha256=agAv0nKNco8y2baN02wJBkMib6HkW5dKqPuN7hCFGD4,466
15
+ mat3ra/esse/models/core/abstract/3d_tensor.py,sha256=B-xWWG5PoTfStseeaF27dcFWAcWJH02R9-5h8SgPHyg,564
16
+ mat3ra/esse/models/core/abstract/3d_vector_basis.py,sha256=p7G-Qld7I6iGWdSjo4IgCj3-aq6zBOhOI3WZQOIjQ0g,564
17
+ mat3ra/esse/models/core/abstract/_2d_data.py,sha256=Dgn_D-9Sq-9MDH51csL1-GBFkisSbwDGQlaYscnWHDk,426
18
+ mat3ra/esse/models/core/abstract/_2d_plot.py,sha256=CikwQl8cFdoaJthwdT1kIvUcTnHk9QiOT9YgWo-TU28,812
19
+ mat3ra/esse/models/core/abstract/_3d_grid.py,sha256=qJ6z7YI504zEWp81dOoYdBVBZDPFGuvD8VxfeEOmhgA,466
20
+ mat3ra/esse/models/core/abstract/_3d_tensor.py,sha256=LS2yGo4DWMPp4As2jC3oeVO4RsueFAryaHTTL_lDWuI,563
21
+ mat3ra/esse/models/core/abstract/_3d_vector_basis.py,sha256=ub2Gt2HJEQKIlmRv6XiK0-hQJ0lpo3RtT6yn_1vF1N8,564
22
+ mat3ra/esse/models/core/abstract/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
23
+ mat3ra/esse/models/core/abstract/point.py,sha256=NNKy1gnTZ8W-7y6-kckKHBHc1gwXvn5g5JSXQJ6yYlM,326
24
+ mat3ra/esse/models/core/abstract/vector.py,sha256=B_jR0gFbWoC5ZUgUfUI8YZpFaqplZ0yj9jGt99yLhJg,338
25
+ mat3ra/esse/models/core/primitive/1d_data_series.py,sha256=OvoNT1ByJxgB2bjYXnjLSOKD8Eh8FJXcYr3BrvwqT5A,389
26
+ mat3ra/esse/models/core/primitive/3d_lattice.py,sha256=3X4l2NdAWcFpMXnqS22ORjf_Ww0BmphnB3wOv13S6G8,673
27
+ mat3ra/esse/models/core/primitive/_1d_data_series.py,sha256=axKdgsXgeF95sKcBtWKS5EUJIx82uI6kN0YNMbU_pYY,389
28
+ mat3ra/esse/models/core/primitive/_3d_lattice.py,sha256=B1V-vJnQ0_l4vvijdYBAiAzgxJS2mdLdsAukJibxjxg,673
29
+ mat3ra/esse/models/core/primitive/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
30
+ mat3ra/esse/models/core/primitive/array_of_3_booleans.py,sha256=06YLYsvCD7BP5fNee8e07YKrNZVNsfh9RpvBMj-k7-A,379
31
+ mat3ra/esse/models/core/primitive/array_of_3_numbers.py,sha256=VjCYsMasQYN1agkBJelaVsBY3NK-fyuS0OobMGHjoNY,378
32
+ mat3ra/esse/models/core/primitive/array_of_ids.py,sha256=5XWt0x0d2EA3XVcl6lzf3oqGLIIWt92uDv4ICaB6GmY,496
33
+ mat3ra/esse/models/core/primitive/array_of_strings.py,sha256=j8hck6B4rcpNc801v5shjFiwtWVXMX1e_kFr7WNfMpo,370
34
+ mat3ra/esse/models/core/primitive/axis.py,sha256=lC968R-jutI-HTLO40G4YoN9dMWJ9hzpnZPs89dlJdc,353
35
+ mat3ra/esse/models/core/primitive/group_info.py,sha256=mhjFVVTseLogwggxg7GVDUZ1NZU-SLc1kcBUwrFz4g0,448
36
+ mat3ra/esse/models/core/primitive/integer_one_or_zero.py,sha256=xxNWl0Pr8_onwgKuiI4ic8Oo9FfTojyb1bLWj0-tg-0,322
37
+ mat3ra/esse/models/core/primitive/integer_positive_single_digit.py,sha256=-Oou7xrBTog5PVxfBfwET9NuQd0n5SkL_xT6coS6CKQ,352
38
+ mat3ra/esse/models/core/primitive/scalar.py,sha256=JPGOIgm5pwnL3fFkcizuwaOodYj0j5HajBPC5OHasr0,216
39
+ mat3ra/esse/models/core/primitive/slugified_entry.py,sha256=TlbKL52_RiIdPXYkQ1tPvUs2Y_F6btca-kjSEKYJuYo,347
40
+ mat3ra/esse/models/core/primitive/slugified_entry_or_slug.py,sha256=CzYRSAVCYcXSw_-5W8aAODdr3gcENv7H4ZQn1P3o6-w,624
41
+ mat3ra/esse/models/core/primitive/string.py,sha256=Cfb6FUUYnQYYajXLfbWOnT_IwpuRCNGxNaOKWqj1rgs,217
42
+ mat3ra/esse/models/core/primitive/linked_list/__init__.py,sha256=kRAGPX5veEQCwpQEk7ZJspgJD10iHLUJVVwxaSz7DN0,1032
43
+ mat3ra/esse/models/core/primitive/linked_list/base_node.py,sha256=tMndAwOtK_q1yXEg_4QbSiTvKy6ilDBfd78TG8jRsno,588
44
+ mat3ra/esse/models/core/primitive/linked_list/named_node.py,sha256=j2Lxpfxw9xyZqLwWOavYys_3mkwIE11_xjLh_zEVkAs,642
45
+ mat3ra/esse/models/core/primitive/linked_list/named_node_in_group.py,sha256=nc9jRIgAsY5yZMhxwCuoA6ga9N7DVJKN3CpOXsfSCaA,855
46
+ mat3ra/esse/models/core/primitive/linked_list/node_with_type.py,sha256=9eq7NEjUHxdHxVMv2Ddda0D8b--fHuEvELZK6QHbi28,614
47
+ mat3ra/esse/models/core/reference/__init__.py,sha256=AxiJT5og73tLMzoHRNN4UC9FxCxbrv2MVWBF3XTRvQU,6436
48
+ mat3ra/esse/models/core/reference/exabyte.py,sha256=6nHPBWI3GpsQq5NAODeTnE67LM76rZAs-c800gu_xfs,486
49
+ mat3ra/esse/models/core/reference/experiment/__init__.py,sha256=Bo68jhINrrrsFxvogG9Y4z1H62nMsk7FDJdyr3TiKMo,3476
50
+ mat3ra/esse/models/core/reference/experiment/condition.py,sha256=bZyiij_gBzLtlbCu3oAn3Skg_ZZXxhDZ4lg5v9siwIs,544
51
+ mat3ra/esse/models/core/reference/experiment/location.py,sha256=5Kq6nceyVXAo09X-fpyDM0i2EfcqJbUKQwr8FAaINdo,332
52
+ mat3ra/esse/models/core/reference/literature/__init__.py,sha256=SA4aLHkvP05ulEbbEUoy4lFHOh0uWP1MrrQTpifU8uw,2290
53
+ mat3ra/esse/models/core/reference/literature/name.py,sha256=Dxzm6xm1LQzXnfVkZ1ZZOLO-D3HLeZblmiwlrV6TMVI,347
54
+ mat3ra/esse/models/core/reference/literature/pages.py,sha256=YiXN93a288PnuJ_Ur8ea6QPan5UJuEvFVLk4iMR6JlE,282
55
+ mat3ra/esse/models/core/reference/modeling/__init__.py,sha256=cUPRB2IfoHG_oa_TmVrbG2RgkUSJURV84qqZ259CTU0,1169
56
+ mat3ra/esse/models/core/reference/modeling/exabyte.py,sha256=TpN1sEwv2h1w4cN7anHLfWQWSK0Zjb1u7_V2-62Yrv4,880
57
+ mat3ra/esse/models/core/reusable/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
58
+ mat3ra/esse/models/core/reusable/atomic_data_per_orbital_numeric.py,sha256=D-Ax_gaa_HALKc2wMoVbRt2aA7Y_nbdVh_XwZfmyPGM,661
59
+ mat3ra/esse/models/core/reusable/atomic_data_per_orbital_pair_numeric.py,sha256=ZruAxrJnI54uFKZNKVAjOpSfhilRgcRC1VbsORgFtRE,1050
60
+ mat3ra/esse/models/core/reusable/atomic_orbital.py,sha256=YtV1ywMQuSeZsFF068PUxFSaa7qt6Y0yrXBrFjEgTpw,597
61
+ mat3ra/esse/models/core/reusable/atomic_scalars.py,sha256=YV4fVqEHtSvacyTyNGMtzw2NtNZdh40qtk2iV8i4wdc,720
62
+ mat3ra/esse/models/core/reusable/atomic_strings.py,sha256=wvZwjAKPTfhD1RZk59G6t1-yQZZNpoKWxVca63QAeFo,631
63
+ mat3ra/esse/models/core/reusable/atomic_vectors.py,sha256=ndjc960C2HN4BF-8d8lkxwMLYtn0ONQT1bSvEHSQacg,659
64
+ mat3ra/esse/models/core/reusable/band_gap.py,sha256=X4fqXYdNEje0xlcdvv9sDj0LFSRQT-oV_WOAjMLadnI,1026
65
+ mat3ra/esse/models/core/reusable/categories.py,sha256=Z90c6gdSMUdEYwoThEyusMXb5ufqoQh-tISYafPWwME,1350
66
+ mat3ra/esse/models/core/reusable/category_path.py,sha256=SFyMHOXwrIewKkr4lCZRfSO-oszEx29XEK6TuLJrBtQ,359
67
+ mat3ra/esse/models/core/reusable/dielectric_tensor_component.py,sha256=_rr6oeTSxUp9iIwaDNt84oeu32_EMXB2vb-MeuxosjY,623
68
+ mat3ra/esse/models/core/reusable/energy.py,sha256=lN9ShHx7_ME4LY-qPqmzFmY16by3ylD6A5SaX_YGgIM,522
69
+ mat3ra/esse/models/core/reusable/file_metadata.py,sha256=DyPL1zQJR3HTyOGgvQzE7BxasTCkVRffeG_4WKfxf-8,520
70
+ mat3ra/esse/models/core/reusable/frequency_function_matrix.py,sha256=I4B-ukMJ_aGpP_PHDd63bW8Jav1mreGeMiLqtrElIno,429
71
+ mat3ra/esse/models/core/reusable/object_storage_container_data.py,sha256=LKvflErRqZIS2U4L586Dqkb5PN5BJd0oNUp2h0B4R4Q,834
72
+ mat3ra/esse/models/core/reusable/atomic_data/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
73
+ mat3ra/esse/models/core/reusable/atomic_data/per_orbital.py,sha256=pd3oG1FfLevoA44FMemtkfO5Hc73gfO-H_GfUIw1W7o,530
74
+ mat3ra/esse/models/core/reusable/atomic_data/per_orbital_pair.py,sha256=gLJkxLpRfNAixmVV1LCz-UHp-C55iq7SM7QJQnFSLWM,919
75
+ mat3ra/esse/models/core/reusable/atomic_data/value_number.py,sha256=nEF8VBqob3JNGFogaJsaHWOchl_lGyh9MHDbFLF4h78,376
76
+ mat3ra/esse/models/core/reusable/atomic_data/value_string.py,sha256=vwk-4oyLWQB7Qbw5dpUt79oaojZsJVlbZvPfp-3JH7U,348
77
+ mat3ra/esse/models/definitions/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
78
+ mat3ra/esse/models/definitions/constants.py,sha256=53q7UtK31QOF3h4rVbOq4vNyXSqSjIL437A78i_5NaA,933
79
+ mat3ra/esse/models/definitions/units.py,sha256=4yoh-9dCLZhM02beLXVCuA4TpkPgm-QgEoWTvLkTBEs,296
80
+ mat3ra/esse/models/in_memory_entity/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
81
+ mat3ra/esse/models/in_memory_entity/base.py,sha256=amGKCTG4wJbOtfjciYGC35WEuExOIxU9k6Fc6Lk1vgk,574
82
+ mat3ra/esse/models/in_memory_entity/defaultable.py,sha256=SAKO1RtMzKoz3d9JBokbzGHy0BOZcD5AfclytyVZ9zU,684
83
+ mat3ra/esse/models/in_memory_entity/has_consistency_check_has_metadata_named_defaultable.py,sha256=3PiMXVGcppxaTl0okBgo3D0gC0sCIxmHSumxGj_coBw,1582
84
+ mat3ra/esse/models/in_memory_entity/named.py,sha256=WtheTd6YeAfv_MA-hMu42B2Y0ev3troISpJERU8bS-w,639
85
+ mat3ra/esse/models/in_memory_entity/named_defaultable.py,sha256=bgydOU25QtBQvM28z6t30rBptbhWYu7vW0EISwxvRkc,758
86
+ mat3ra/esse/models/in_memory_entity/named_defaultable_has_metadata.py,sha256=UUTNYPI9rhlxZvqz0vkpf7Tq_dvt5dl0qi4DEHr0Ljw,839
87
+ mat3ra/esse/models/in_memory_entity/named_defaultable_runtime_items.py,sha256=g7MEuIogvwz7m1PxZO3Ded7QLkBaseXcVOYaO0aga48,1447
88
+ mat3ra/esse/models/job/__init__.py,sha256=tQXT9GQRHDoVyW9AmI_Sjkqg78fkKSb4tL6TmWn--m4,64815
89
+ mat3ra/esse/models/job/base.py,sha256=QZzYedxsoGbqQvIgLhBsCQDWvTlTgXM64-Jcy-Z4umc,8088
90
+ mat3ra/esse/models/job/compute.py,sha256=strKlGY8VnnnFij3KxxZr2Hozf2_zhujhTb4cQxP5KU,5501
91
+ mat3ra/esse/models/material/__init__.py,sha256=Mx-2jhttFrIQ30HDOQ8C8oZGJD6oTtHuhEg9JtCBGxo,9486
92
+ mat3ra/esse/models/material/consistency_check.py,sha256=6fF96LF_xOwT4k47Ez3ADx3-yVnREgwY95N5aA12o0c,934
93
+ mat3ra/esse/models/material/conventional.py,sha256=y6PGJsMs4ktea-q9LGZnRIYscFjfWjdZFmeyehAJdBE,303
94
+ mat3ra/esse/models/method/__init__.py,sha256=KErSMWtloFyYMkQVa8lWT-fox0LgnDD3395K9aLbNNY,668
95
+ mat3ra/esse/models/method/categorized_method.py,sha256=f2dQIPERDoY61WL-KR_6dmAftRyPv_d_J6XSaV5yjqE,2479
96
+ mat3ra/esse/models/method/method_parameters.py,sha256=CH4qkchLAsq_L0iaet5dESnbTePbQYfXK47U8MemrxQ,1086
97
+ mat3ra/esse/models/method/unit_method.py,sha256=zyuop9ZxxWmdj1zE0e3uxSWEfEYXHRAUuiL4SW-dVVk,2116
98
+ mat3ra/esse/models/methods_category/mathematical/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
99
+ mat3ra/esse/models/methods_category/mathematical/enum_options.py,sha256=pIZfAES7jimsctpK01dKBAh-eCclofNzChqyteIefdc,255
100
+ mat3ra/esse/models/methods_category/mathematical/regression.py,sha256=GvAr5zyIKrCzPABgLe72f5pGNgTH4gZIurf9oax7uN0,1615
101
+ mat3ra/esse/models/methods_category/mathematical/diff/__init__.py,sha256=7n3JtcioDFuAcWrDgqzSWXIu1KMHdCyfUOsHffvG-P0,1467
102
+ mat3ra/esse/models/methods_category/mathematical/diff/enum_options.py,sha256=Z8aiCxpyFXyrmmmFj7ROIPRd1fmiXYjnD54CkR2-gSc,260
103
+ mat3ra/esse/models/methods_category/mathematical/diff/fd.py,sha256=FyjE-HpzCKeDMt1YCGBdnTDjMkA5CM1eh7YQUzNUTlI,1539
104
+ mat3ra/esse/models/methods_category/mathematical/discr/__init__.py,sha256=B16jQ_oS8toD6SomZJrCgq5dNG1yRTdrmCItWSIHI4o,1460
105
+ mat3ra/esse/models/methods_category/mathematical/discr/enum_options.py,sha256=z9NOmliTTjS9400aUDPGhrV1unVvnxdhxFOMS4WyIAI,261
106
+ mat3ra/esse/models/methods_category/mathematical/discr/mesh/__init__.py,sha256=CLVviJtSZr1OyEotq25Yil1a2eBM8X1qyxEoBIZyqLQ,1541
107
+ mat3ra/esse/models/methods_category/mathematical/discr/mesh/enum_options.py,sha256=VRFxLPcJXsBzV-C5Yu-Ryw5g3pe8SOP9pTc2UEP32QI,266
108
+ mat3ra/esse/models/methods_category/mathematical/discr/mesh/hybrid.py,sha256=-VRJA7teb2IxMFG2QPJvOq5dqeSQux2Dnu7qk5Gimq4,1629
109
+ mat3ra/esse/models/methods_category/mathematical/discr/mesh/nstruct.py,sha256=CPxNKPqwoZTyg62OcebGKCKotVjtVwzQgJZ7XXKnPUc,1645
110
+ mat3ra/esse/models/methods_category/mathematical/discr/mesh/struct/__init__.py,sha256=DP8VSrgo0FlFYTJ28pboIev5jEbACMDwJuQMu7EeymI,1633
111
+ mat3ra/esse/models/methods_category/mathematical/discr/mesh/struct/cartesian.py,sha256=phVs_YM_ZkeYt09Pe70rVO75gNew0RAX2xcddIKsAyE,1712
112
+ mat3ra/esse/models/methods_category/mathematical/discr/mesh/struct/enum_options.py,sha256=tBJN_9rEduB9PMbto-B7rx2x-uS1PpsrZLWnDAPsOxw,273
113
+ mat3ra/esse/models/methods_category/mathematical/fapprx/__init__.py,sha256=uJAhD8RDXf7BeYgnys3fBx7WgV6vHekZw-jaK2s5GY8,1474
114
+ mat3ra/esse/models/methods_category/mathematical/fapprx/basisexp.py,sha256=XQAwonLPlpKisskR7_tH12FVsmHN4E8FMtQ8YoCHxpg,1555
115
+ mat3ra/esse/models/methods_category/mathematical/fapprx/enum_options.py,sha256=6cctkJHFXbTuCJCEEHLpixtfNVlrGjmdMx7llIpnR4M,262
116
+ mat3ra/esse/models/methods_category/mathematical/fapprx/ipol/__init__.py,sha256=W6iYWbkrVAIAPOZK6pwasGeHYmPmGWabq0iEwz_lKUw,1544
117
+ mat3ra/esse/models/methods_category/mathematical/fapprx/ipol/enum_options.py,sha256=f9zwU8YxMkZq3Z6iScUSLlM-dzT5p8eUVgdo-_P-uHA,267
118
+ mat3ra/esse/models/methods_category/mathematical/fapprx/ipol/lin.py,sha256=KRz5m5A9HfKjKstj_qY-wm1PkLZ19fk6LaiYj7DWPnQ,1629
119
+ mat3ra/esse/models/methods_category/mathematical/fapprx/ipol/poly.py,sha256=s5Re--n3i420LUrwz817ahD1zbEAvXE0qxVCpN0vARE,1636
120
+ mat3ra/esse/models/methods_category/mathematical/fapprx/ipol/spline.py,sha256=91NrPPW3y58ecWyslnPoobcLi846K4mA-tyMQbKwWwU,1638
121
+ mat3ra/esse/models/methods_category/mathematical/intgr/__init__.py,sha256=XqVB7CToRF2PfiaCN9pC1gdMbgQnOUM97PlOOzoUNFs,1457
122
+ mat3ra/esse/models/methods_category/mathematical/intgr/enum_options.py,sha256=gXRz9EVniR92z32yJ1RPeueJzCT56KzzGihuXY7fj50,261
123
+ mat3ra/esse/models/methods_category/mathematical/intgr/analytic/__init__.py,sha256=RFqL6WYjrY1JXTLqSJdiiSU0HSXHCthqFhF5w1yT8qQ,1552
124
+ mat3ra/esse/models/methods_category/mathematical/intgr/analytic/enum_options.py,sha256=fuKFyJ55tSIVsKkZom3Tu4P66tN8Ik0Tr3cGi291eGY,270
125
+ mat3ra/esse/models/methods_category/mathematical/intgr/analytic/volume.py,sha256=z4Q_zaOvVewCMer7DzgLJHMC5Zb8in3qLqBcdQ21NfA,1905
126
+ mat3ra/esse/models/methods_category/mathematical/intgr/diffeq/__init__.py,sha256=E1mUEHeZcq5x8uvbMbpgQhSqUhdOGy0YSS_rOqS36yA,1580
127
+ mat3ra/esse/models/methods_category/mathematical/intgr/diffeq/enum_options.py,sha256=tL0mAsONYxrVkw9qjTuJsc94Mu0MsVczFDc_dxvnNvI,268
128
+ mat3ra/esse/models/methods_category/mathematical/intgr/diffeq/order1.py,sha256=fvU5JZijkcAJG6QSRZ7EW3SmRzsl2MPXQH4RPFNRMjQ,1620
129
+ mat3ra/esse/models/methods_category/mathematical/intgr/diffeq/order2.py,sha256=b2gKfUH4SxFAYQ_IJ4Y3Yj4jhRwWG0UQg70CREktLeQ,1620
130
+ mat3ra/esse/models/methods_category/mathematical/intgr/numquad/__init__.py,sha256=BrAWGXo-8Ay44tHj3CKTyqo9hceNzVSnXb6XOjjbKfY,1561
131
+ mat3ra/esse/models/methods_category/mathematical/intgr/numquad/enum_options.py,sha256=zbzME4EjLvnYNAQOUiFMzKgGCqwfWoQX4tNkNoqkhUw,269
132
+ mat3ra/esse/models/methods_category/mathematical/intgr/numquad/gauss.py,sha256=mvcZ9g6iL1PyfW6uDMqIOe2E2gqjWmuAJo3kTgcbiXw,1633
133
+ mat3ra/esse/models/methods_category/mathematical/intgr/numquad/newcot.py,sha256=kySNMooGt8TjMN1860hSdHUEmlEEA7sU3IuCGwhyVj0,1643
134
+ mat3ra/esse/models/methods_category/mathematical/intgr/transf/__init__.py,sha256=NDn6tgz4wSnlUWyXHOmSSNrckDMcmHjFrZQmCLwKekQ,1550
135
+ mat3ra/esse/models/methods_category/mathematical/intgr/transf/enum_options.py,sha256=RQwK8HM6UpUFUZtwhsOX6vl2fpoo17PlccpnKJQT2Ks,268
136
+ mat3ra/esse/models/methods_category/mathematical/intgr/transf/fourier.py,sha256=QsvUf8XK0dblmkHAuRWbU6mjODcdA4mf0faQgY7obuM,1636
137
+ mat3ra/esse/models/methods_category/mathematical/linalg/__init__.py,sha256=3HR2VTRbAcCKhZiCBwg7ja34EC_0JDnZynPfrnPxTrA,1462
138
+ mat3ra/esse/models/methods_category/mathematical/linalg/dcomp.py,sha256=QbJTgDF-Wk6s3HscXj0YG92Rl97nZOqXlbT1QV4uZv8,1550
139
+ mat3ra/esse/models/methods_category/mathematical/linalg/enum_options.py,sha256=YUl4l1gk1pUBqDve30lBhib8VooOfg0YKl9s43ClXDU,262
140
+ mat3ra/esse/models/methods_category/mathematical/linalg/lintra.py,sha256=E0Ty3WUPw48AzeOL5Ukr-FY-WS5IV8DNJI2giJ8N1Q8,1556
141
+ mat3ra/esse/models/methods_category/mathematical/linalg/matf.py,sha256=Y39jKE0A6lvq_vqjUj_6PA1F21D21WhrziUx_3KB2p4,1544
142
+ mat3ra/esse/models/methods_category/mathematical/linalg/diag/__init__.py,sha256=0LO1dEzgC136rvqzNUeWzPWH8aoaOeQhpN7QghTnMyA,1549
143
+ mat3ra/esse/models/methods_category/mathematical/linalg/diag/davidson.py,sha256=INj9A0v39zZItTL8sGbHLBFg_oM0mSbajYa_4_kzMsA,1642
144
+ mat3ra/esse/models/methods_category/mathematical/linalg/diag/enum_options.py,sha256=rAQf2YKWxSqgi1jgCx0ExK6dbM521K69gRxmOWkNEvI,267
145
+ mat3ra/esse/models/methods_category/mathematical/opt/__init__.py,sha256=8QVCGIKX4SOxkwJjuC3hZMRwkKADrWiSJoMleZfBW3w,1447
146
+ mat3ra/esse/models/methods_category/mathematical/opt/enum_options.py,sha256=Xqkan2_4Ixpq9TJTih6X381nFuwpdWPLuhmM2IbOgGE,259
147
+ mat3ra/esse/models/methods_category/mathematical/opt/diff/__init__.py,sha256=h5ZIkay2-lBvDCD7Sg2C8hH4TXKxWVZbZZWP9sxNNX4,1565
148
+ mat3ra/esse/models/methods_category/mathematical/opt/diff/bracket.py,sha256=_bEuteRxKZAoPYo8WRhV0B2ubxV0srqN4L7s7j6ENG8,1661
149
+ mat3ra/esse/models/methods_category/mathematical/opt/diff/enum_options.py,sha256=TBbaQb0CJgAcgEs7UEoLJ3MMASyjIa0bOFF-8MC77n4,264
150
+ mat3ra/esse/models/methods_category/mathematical/opt/diff/local.py,sha256=2DuD3E7ZYtdUDvcRDJJfJQvxDWKuCp-yUhtRi79SoJ4,1661
151
+ mat3ra/esse/models/methods_category/mathematical/opt/diff/order1.py,sha256=icb59rYzko9LGNv8qYAYc9MnQ5MdI28ZyFCT3hUemQ0,1665
152
+ mat3ra/esse/models/methods_category/mathematical/opt/diff/order2.py,sha256=h2N0iVmzAA7ZZhvedqC570JLC65aDJr-KtAgvqI7dFs,1666
153
+ mat3ra/esse/models/methods_category/mathematical/opt/diff/ordern/__init__.py,sha256=FzOjqRSlY8x0mMVumYU-vZYa03S14uvkvaOzj1kP_7o,1679
154
+ mat3ra/esse/models/methods_category/mathematical/opt/diff/ordern/cg.py,sha256=cJ0IJ30wZEhSn0tG2wz5_If3eANXBl4du6a4zMTDIaY,1695
155
+ mat3ra/esse/models/methods_category/mathematical/opt/diff/ordern/enum_options.py,sha256=te3u848jEfkSlqe_DQizeikuIh0n_-1Nj7ob9VOW1IM,271
156
+ mat3ra/esse/models/methods_category/mathematical/opt/ndiff/__init__.py,sha256=C3Dirl259q707YkroYftSJ2-PVEts5odaamSerWWmJo,1573
157
+ mat3ra/esse/models/methods_category/mathematical/opt/ndiff/direct.py,sha256=YZ7xmArKIxW_WyZrtDqnnpl7YUEXUZMc-rKkPy7rmtg,1671
158
+ mat3ra/esse/models/methods_category/mathematical/opt/ndiff/enum_options.py,sha256=b-BzQG3-uVbYnoSAY3Cm5OEl1DScWFN-3iULCC7KW48,265
159
+ mat3ra/esse/models/methods_category/mathematical/opt/ndiff/pop.py,sha256=gg91X0-3JnN7M23gBwJ1LGer94xjSkGxt9UZ3fu_0To,1669
160
+ mat3ra/esse/models/methods_category/mathematical/opt/ndiff/stoch.py,sha256=hdvvDwi1bP4hk8M1VwP8hZ_4YqfU9eDcWAn1v6RhhGE,1675
161
+ mat3ra/esse/models/methods_category/mathematical/opt/root/__init__.py,sha256=npJlTHLRThzPmDJaITY0cUwp0Vm5XWbeR2aAhOopLKc,1533
162
+ mat3ra/esse/models/methods_category/mathematical/opt/root/bracket.py,sha256=8BzVwD_2bG4PX3_dgmFsIoB6YsW2iPhaEYYHoreFb8Y,1640
163
+ mat3ra/esse/models/methods_category/mathematical/opt/root/enum_options.py,sha256=aKTlqNQHWQXb3_iex6mapV3z1yjPnfoq0flqZGlYOx4,264
164
+ mat3ra/esse/models/methods_category/mathematical/opt/root/iter.py,sha256=sKnRTjWPvLFbEYUmHxvZ5B1S022da5v8BQenLh90cJg,1643
165
+ mat3ra/esse/models/methods_category/physical/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
166
+ mat3ra/esse/models/methods_category/physical/enum_options.py,sha256=qNsikdesxq_HTsDkDKogT7znVLiLAUR_li3yo5YHqPU,251
167
+ mat3ra/esse/models/methods_category/physical/qm/__init__.py,sha256=0ncNkLm_S_yWUDTTY8iv1jdQloxOtLXsjOFKQ3AG_5k,1456
168
+ mat3ra/esse/models/methods_category/physical/qm/enum_options.py,sha256=iKcIsF067E59SGxqsq_2gPxttz5oHxnebON42UvtoOQ,254
169
+ mat3ra/esse/models/methods_category/physical/qm/wf/__init__.py,sha256=YalDptieuGlHrAs-sjiWSY0g22Q3yYCjlbaVivSzjoU,1530
170
+ mat3ra/esse/models/methods_category/physical/qm/wf/enum_options.py,sha256=1UicSJT08UCDvFn_ue4tXpMeE4tlssapa3CYCEz9jrA,257
171
+ mat3ra/esse/models/methods_category/physical/qm/wf/psp.py,sha256=-wBLmpYpb70xBe-C-HEkMdFn6vUEGvKxpPIitQiQjm8,1750
172
+ mat3ra/esse/models/methods_category/physical/qm/wf/pw.py,sha256=iAhR5Ev-MT4zbfPGby_u4XjnuyYTBcGHlAif_RyMDKs,1594
173
+ mat3ra/esse/models/methods_category/physical/qm/wf/smearing.py,sha256=VPbfWVYWWGdNil12VrK-I3j_HYGIziZu8LTaM4PgJNg,1825
174
+ mat3ra/esse/models/methods_category/physical/qm/wf/tetrahedron.py,sha256=74UeFg1hCTJcsS39VEu7tUtCLYPGTocsaapaIj_Ncro,1789
175
+ mat3ra/esse/models/methods_category/physical/qm/wf/ao/__init__.py,sha256=bli0Neeu51GcZqROuSLeNeYf1egVgfH2oS6oz3SO-T8,1749
176
+ mat3ra/esse/models/methods_category/physical/qm/wf/ao/dunning.py,sha256=H-vIq9yO0jEPuPwIPpSIaRtyIrVe-AoqhTWj24RmG30,1706
177
+ mat3ra/esse/models/methods_category/physical/qm/wf/ao/other.py,sha256=kJmiZhw5NZmzYA2vbXUg5gLFjYwjADJ80VcWU60LLXI,1705
178
+ mat3ra/esse/models/methods_category/physical/qm/wf/ao/pople.py,sha256=kl1cfV1YzanApl-jZhcIl6QZa56TY1OHkAvQSRM2g6M,1683
179
+ mat3ra/esse/models/methods_directory/legacy/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
180
+ mat3ra/esse/models/methods_directory/legacy/localorbital.py,sha256=wp5O8qM9tRN1zoe9LntgulyTzKo9fbpzwkiDiVFUSnE,837
181
+ mat3ra/esse/models/methods_directory/legacy/pseudopotential.py,sha256=te734cyzJCEHlccmcZ_memmLNYo3jbKMBMgx56i0Ri4,889
182
+ mat3ra/esse/models/methods_directory/legacy/regression.py,sha256=n6k3U8lV25HrAkxToIJQa72Hwm201DdaOmCWUD5hEDs,2892
183
+ mat3ra/esse/models/methods_directory/legacy/unknown.py,sha256=OWqNodjIPNC03VRu3nsJFhQ8TpqioITOaDla1jcSHg4,821
184
+ mat3ra/esse/models/methods_directory/mathematical/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
185
+ mat3ra/esse/models/methods_directory/mathematical/cg.py,sha256=W3sfBTpxRrOqPAXA3LqRQF4Xp40QiJ_uy7WOk2_O7vo,2458
186
+ mat3ra/esse/models/methods_directory/mathematical/davidson.py,sha256=BeToU4zsV4dJYYPskdAsJT1pH1BSu2RlmPDmM8QNkHs,2418
187
+ mat3ra/esse/models/methods_directory/mathematical/regression/__init__.py,sha256=14V_rfdgOiT18fNpOeDZrdZvAqEiGTqNp2uaz89ma54,4412
188
+ mat3ra/esse/models/methods_directory/mathematical/regression/data.py,sha256=gRqOFEarHOim_UfHNvSPn__blx1XPCJoHOWJsDthjA8,1733
189
+ mat3ra/esse/models/methods_directory/mathematical/regression/dataset.py,sha256=ItC2mjhLBDYLChFGbKoFDDDXJAlOtX9qFoqsP7LXAiE,475
190
+ mat3ra/esse/models/methods_directory/mathematical/regression/per_feature_item.py,sha256=2zPOD9dRxRz0x5WY1NYf3Xns2i3-RH14SUZ0b2H-3nU,563
191
+ mat3ra/esse/models/methods_directory/mathematical/regression/precision.py,sha256=2a680a8d_FnUu4uDK82-3g3oWz5NTUD4_zY99rUla1c,671
192
+ mat3ra/esse/models/methods_directory/mathematical/regression/precision_per_property.py,sha256=bLnyosYkemvbpBEVyuEjq1epzhO77a6_27xJ0jLk818,561
193
+ mat3ra/esse/models/methods_directory/mathematical/regression/kernel_ridge/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
194
+ mat3ra/esse/models/methods_directory/mathematical/regression/kernel_ridge/data_per_property.py,sha256=74ovVDmfGNyk3QsBa46UotaUgP6PD99YaV4celhlhmo,935
195
+ mat3ra/esse/models/methods_directory/mathematical/regression/linear/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
196
+ mat3ra/esse/models/methods_directory/mathematical/regression/linear/data_per_property.py,sha256=JaHS0HMxbHV5wM-vaV8UiES4ms2n6PrxBLnRD1ViGaQ,918
197
+ mat3ra/esse/models/methods_directory/physical/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
198
+ mat3ra/esse/models/methods_directory/physical/pw.py,sha256=xPnhc0fRaAosivAJWpJsIV0DPZUEBH8RtdpfPp0n_zY,2347
199
+ mat3ra/esse/models/methods_directory/physical/smearing.py,sha256=8qlkShX9J3yisodBMuRq48-2ytzFHq1yyQVyCMZ84-A,2593
200
+ mat3ra/esse/models/methods_directory/physical/tetrahedron.py,sha256=GFzUJEiO0l512n7R-lVfxY2fqS0JOtM9lwJI1dNxGp0,2632
201
+ mat3ra/esse/models/methods_directory/physical/ao/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
202
+ mat3ra/esse/models/methods_directory/physical/ao/dunning.py,sha256=XALpYNjeztKPYe9OQDW1kOAtiipOdtY6pzYfo3r-6hU,2773
203
+ mat3ra/esse/models/methods_directory/physical/ao/enum_options.py,sha256=f2FIx6R_zTNWLM2ADlr4WOW7C8MXqxO7TR2CfsoW7WM,255
204
+ mat3ra/esse/models/methods_directory/physical/ao/other.py,sha256=-Rrf-6ZyKFciw9a9lURlzDZuk-86t3wbOxodh4PRdLk,2870
205
+ mat3ra/esse/models/methods_directory/physical/ao/pople.py,sha256=k9e2xkCQ7bLANaAqhMT5-enRyD4y9KeJ9KLVNTj2ffU,2692
206
+ mat3ra/esse/models/methods_directory/physical/psp/__init__.py,sha256=A7GUd4jAqVYFTwsNTTrHy-pW1QWK870TfzchHMuLno0,4832
207
+ mat3ra/esse/models/methods_directory/physical/psp/file.py,sha256=0ISL5PZS8JXXnnKHsHkAnjc1hVzHfvlP_SraqRaV-lE,2514
208
+ mat3ra/esse/models/methods_directory/physical/psp/file_data_item.py,sha256=Ak04L5LIt6mfBG4trT4Fs2kFNjkKAWCpLCyjCsJUjAI,2127
209
+ mat3ra/esse/models/model/__init__.py,sha256=7-Ki1GmKMTblyAu60sLMgmylH0H0nxXB_aJyB4NoMPU,982
210
+ mat3ra/esse/models/model/categorized_model.py,sha256=KMTXN2zpUWnF-dXoj_MhdiWxHxz3lQPRSH1-WhmE7Ws,6271
211
+ mat3ra/esse/models/model/model_parameters.py,sha256=-Ww4ix3kZKtgsGE9OuRFX6EPODXz2CTz-i5U-iDTqXo,3020
212
+ mat3ra/esse/models/model/model_without_method.py,sha256=TDmDIsESzwM6FOgyI_ZhZ51VxXpAX3qQXTTqk4zvA64,4136
213
+ mat3ra/esse/models/model/mixins/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
214
+ mat3ra/esse/models/model/mixins/dispersion_correction.py,sha256=qxoSt0OD7e2hPlPhiDl9DgVqh2HHpSB1F6LT7OZVVKE,450
215
+ mat3ra/esse/models/model/mixins/enum_options.py,sha256=vItqCuzVmizFjsXANRzgnozh5K05qT0CIRNvBuvJ61k,238
216
+ mat3ra/esse/models/model/mixins/hubbard.py,sha256=0m1SJSHgpfpC3Tx6Nj_rkIXA5v_OfGJcoJSwcJ5Pkjk,339
217
+ mat3ra/esse/models/model/mixins/spin_orbit_coupling.py,sha256=2hV3h9AGK809BhGjJI2X-MYk7XvyZY61-lhkFE9ZlOU,366
218
+ mat3ra/esse/models/model/mixins/spin_polarization.py,sha256=DWU3Qh4oYDIbPIx2P5xYh4lzhGHX3wmPeba0PZXTy40,492
219
+ mat3ra/esse/models/model/mixins/dft/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
220
+ mat3ra/esse/models/model/mixins/dft/double_hybrid_functional.py,sha256=3lIfQZbNV4_8_TtD6JZRRbbLMP3w0vcYnRofY4ID2t0,377
221
+ mat3ra/esse/models/model/mixins/dft/enum_options.py,sha256=uOTkOoY4X2EgWb_99LSQSmyUHOhlN-7Ezg5sONZ6aKk,242
222
+ mat3ra/esse/models/model/mixins/dft/gga_functional.py,sha256=IORiUo8a84PP69eiPhGyoUd-J2_ky9gyqO_eqszwSFQ,446
223
+ mat3ra/esse/models/model/mixins/dft/hybrid_functional.py,sha256=DRFvLiP8-JmeJg83h1chRJPWcOoIGMQOOrhKS14i0fM,382
224
+ mat3ra/esse/models/model/mixins/dft/lda_functional.py,sha256=965Ylrq6ChuymNQDEWFH8ifYr_iTEJrwLA5kO3771_c,422
225
+ mat3ra/esse/models/model/mixins/dft/mgga_functional.py,sha256=itaNnUoLBnrHKtajYLx5Jl5KFK-KHba4lJ55oJJIx_M,431
226
+ mat3ra/esse/models/models_category/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
227
+ mat3ra/esse/models/models_category/enum_options.py,sha256=_DXNS-kU9KEbM0iGEBbiJIDTPyajx_CXEXAwD_4wCQc,241
228
+ mat3ra/esse/models/models_category/pb/__init__.py,sha256=lL4Hc0_L_0HpBl49OC4XqoIYVDggE2LmE4GOMWrJlnU,1440
229
+ mat3ra/esse/models/models_category/pb/enum_options.py,sha256=3s616HPlb6ZdY-liOV1dcdFnysepdn48I_aAMwr52kc,244
230
+ mat3ra/esse/models/models_category/pb/qm/__init__.py,sha256=jMTGZIybWf0COTCYD0lj4HZPx5MJo404ZX1fKrzp2EI,1516
231
+ mat3ra/esse/models/models_category/pb/qm/enum_options.py,sha256=MjYJoR7qiveYPTBvU798nZzz1HZNjh84wTC_ZCpT3GE,247
232
+ mat3ra/esse/models/models_category/pb/qm/semp.py,sha256=vdw1lziI8Brz2iADGQKO5NAWNGCP3bmPWYeuClFEVsM,1594
233
+ mat3ra/esse/models/models_category/pb/qm/abin/__init__.py,sha256=AGriTFblccN-sR1oK11-TMAdwrKACfqnwvIbKHuvHyY,1581
234
+ mat3ra/esse/models/models_category/pb/qm/abin/enum_options.py,sha256=1iPHqVhP7ecOe7A7nAH-ESoB8Oi49DjZpz9SSUCdsf8,252
235
+ mat3ra/esse/models/models_category/pb/qm/abin/gw.py,sha256=WJifw-w4yCPJu4doCt1Ksq6HLV3sALeTJIQxcPvuVwQ,1766
236
+ mat3ra/esse/models/models_category/pb/qm/dft/__init__.py,sha256=yYyeNvZP4lSMiwJYliAlGDhQW4WWaWxRRPw6oaKYZtU,1597
237
+ mat3ra/esse/models/models_category/pb/qm/dft/enum_options.py,sha256=5cFfwG7P5ZOi1KfOZD0t_K0nmqe5x8FpxW6DMAgcNU0,251
238
+ mat3ra/esse/models/models_category/pb/qm/dft/ksdft/__init__.py,sha256=wnAjZSX86TxBKQIlU0aCmyMF-saw1opbZOvP21AX3W8,1674
239
+ mat3ra/esse/models/models_category/pb/qm/dft/ksdft/double_hybrid.py,sha256=TRL1VYPgasmefbdv26UPcYUBVSv7BqKWfuc_9m0GOmA,1789
240
+ mat3ra/esse/models/models_category/pb/qm/dft/ksdft/enum_options.py,sha256=SSzsBGxpZXpuA_RaeKoO177V0ijFrDHy0aq923cotCw,257
241
+ mat3ra/esse/models/models_category/pb/qm/dft/ksdft/gga.py,sha256=zmCQ87oeBecwN-vALNEeE1EWiLXPhLGJNmEJw5QQe00,1750
242
+ mat3ra/esse/models/models_category/pb/qm/dft/ksdft/hybrid.py,sha256=B3XcwwogrdWTcdfpClSXMHZQztgw5KXRzA5tTj7giTU,1770
243
+ mat3ra/esse/models/models_category/pb/qm/dft/ksdft/lda.py,sha256=egkMhO518UYV-F1jQCS2xQuZKXAmauZKIq33I7bCOtY,1758
244
+ mat3ra/esse/models/models_category/pb/qm/dft/ksdft/mgga.py,sha256=9gqA7dpppHfuVO0sZhLbSJdYFCm0U5gWiLBRtoMWgIQ,1765
245
+ mat3ra/esse/models/models_category/st/__init__.py,sha256=8Hd3JaJWnE1P2iusvCSMcBYC0uXM-Y5GGta6pPo0m0Y,1439
246
+ mat3ra/esse/models/models_category/st/enum_options.py,sha256=7fHvNRTPQVsKbubEgB4n45mraIzG4xCDhAHDqM7wFNM,244
247
+ mat3ra/esse/models/models_category/st/det/__init__.py,sha256=7lisrBB74khMDd8T32i3sTdWIWxkcpqBljP__oFCN3w,1518
248
+ mat3ra/esse/models/models_category/st/det/enum_options.py,sha256=S5iT_qvQFkp-UT804ZNFBfZichxQymJs8hHwMbLSCzs,248
249
+ mat3ra/esse/models/models_category/st/det/ml/__init__.py,sha256=VXZUpOSwFQxo1R-yQ5WYqgK8X_0wEO1Mq9SalfOMHsw,1598
250
+ mat3ra/esse/models/models_category/st/det/ml/enum_options.py,sha256=WlUtPQifCqoPCddnxfpmv-MqyZJICLyKYmM6J3y03FM,251
251
+ mat3ra/esse/models/models_category/st/det/ml/re.py,sha256=z4J0kWvSoohuFEjKVusXyzzCSi0jNGnZHFqZgx6ah3Q,1669
252
+ mat3ra/esse/models/models_directory/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
253
+ mat3ra/esse/models/models_directory/double_hybrid.py,sha256=rDYzY0052bba_NA2hUsEWUTsdKxCH65me2pI789VxPM,5528
254
+ mat3ra/esse/models/models_directory/gga.py,sha256=p81HSzJxxnCK4RMNmRdq-UzQ2KepoXBmrYRK7yWydi8,5780
255
+ mat3ra/esse/models/models_directory/gw.py,sha256=lLdUfinHcoSJMNHgG_kSoqBoGO2w0x13gwEtxMhbPwU,7149
256
+ mat3ra/esse/models/models_directory/hybrid.py,sha256=aiciqnC0CwMgqeWIHtmQ35WytqAE69GT_6YSqgpT9iY,5675
257
+ mat3ra/esse/models/models_directory/lda.py,sha256=ZYo06uaGu6nTRKERICpVk1aTtrhV4qadHvdpmz4EY24,5757
258
+ mat3ra/esse/models/models_directory/mgga.py,sha256=sjNgxqr-3HGeUTTmeSn6UvUKZSbyv3XRrWEBacO0Tw0,5793
259
+ mat3ra/esse/models/models_directory/re.py,sha256=JEr-cX_-HLRXAaVFtoPDuBcjGhW8EFEWPERSZQOpLcY,4420
260
+ mat3ra/esse/models/models_directory/legacy/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
261
+ mat3ra/esse/models/models_directory/legacy/dft.py,sha256=4S3t0S0Mbj1Vo2QqfZMJO3S3Z3ITAChqG_WnDYTDbis,3381
262
+ mat3ra/esse/models/models_directory/legacy/ml.py,sha256=QRKfPsxElrbdDBLMCzcKtQ8dMqwes3IqiI4udyKGjJ0,1112
263
+ mat3ra/esse/models/models_directory/legacy/unknown.py,sha256=GxE6kGWW1vv_gRNbatQcvgt0V5RVayroQVLclPs19Lk,1134
264
+ mat3ra/esse/models/properties_directory/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
265
+ mat3ra/esse/models/properties_directory/derived_properties.py,sha256=PjXlSjrVU3jP2veTorVf_98WVZhmD2fTquQdRc5JZ5k,3012
266
+ mat3ra/esse/models/properties_directory/electronic_configuration.py,sha256=B0BdTCuUf25tXd2w2kJyLtnfNJwWUnl6tYhXeZvwFjQ,480
267
+ mat3ra/esse/models/properties_directory/elemental/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
268
+ mat3ra/esse/models/properties_directory/elemental/atomic_radius.py,sha256=VsSKIbLYl9GseztXyzggDAMyMH0qJ3s_9IS8lxYKz88,591
269
+ mat3ra/esse/models/properties_directory/elemental/electronegativity.py,sha256=vkmKQDpw017QMJAHa9Pd3jr4ejBrMvt5j0BJ41_8zBg,395
270
+ mat3ra/esse/models/properties_directory/elemental/ionization_potential.py,sha256=M085SUeHtcrFbgNr5bHC0yoTP4j4lvziDCpBSvYmWrI,607
271
+ mat3ra/esse/models/properties_directory/non_scalar/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
272
+ mat3ra/esse/models/properties_directory/non_scalar/average_potential_profile.py,sha256=TRPtDOHOLqO_Hz8mTwMor6y6-m9xhaB-KrK2I3Dkz2U,1604
273
+ mat3ra/esse/models/properties_directory/non_scalar/band_gaps.py,sha256=-DDzX1b22RmWUklzvtkMVivKXbpYsCEKYkQzzy43lyU,1599
274
+ mat3ra/esse/models/properties_directory/non_scalar/band_structure.py,sha256=zCQoSAcc1I6cP4nRKFeo3qGSOQZKFWGkreYxYqC31Uw,1598
275
+ mat3ra/esse/models/properties_directory/non_scalar/charge_density_profile.py,sha256=PSA9V0WCP0Zur_OmzFPLD_3X8Ovttl1z4yzMeWBDOy8,1295
276
+ mat3ra/esse/models/properties_directory/non_scalar/density_of_states.py,sha256=RiDW6C4Rp6RRqThtW6BL98FYrZPaNWPj1Yzvb0wF5nE,2020
277
+ mat3ra/esse/models/properties_directory/non_scalar/dielectric_tensor.py,sha256=_1KlHVqxzjgh9Z36kpsjeHRi-SsjxhmLWt8wMYi_6rc,807
278
+ mat3ra/esse/models/properties_directory/non_scalar/file_content.py,sha256=4sLUkzH_EQ-aViO7aCxhPgNDXIAr2MqfF6vQfZaC6pc,1429
279
+ mat3ra/esse/models/properties_directory/non_scalar/hubbard_u.py,sha256=D54t-aVR681xVuXUsaHboyrOPWWuamNrpEEFrLDCT5g,851
280
+ mat3ra/esse/models/properties_directory/non_scalar/hubbard_v.py,sha256=cPf7FiOgOUi1ozzirTq4tomjqWxAlk6zybuhsYrba1w,1256
281
+ mat3ra/esse/models/properties_directory/non_scalar/hubbard_v_nn.py,sha256=xDW1U9JsHKdoPZlTPmm-mDepEqHoOEomQNFDc1pPtbk,1278
282
+ mat3ra/esse/models/properties_directory/non_scalar/phonon_dispersions.py,sha256=E4Vz8jFDgjfF29bnQaNm4Reg5OQhbfwS7Pr4_CV-Yqw,1382
283
+ mat3ra/esse/models/properties_directory/non_scalar/phonon_dos.py,sha256=aQkzpeE8yWZNRariWffZPnRUlAag8wy45X3r7pI2uCQ,1403
284
+ mat3ra/esse/models/properties_directory/non_scalar/potential_profile.py,sha256=p-SoK2RW0YKQA-5VQU2JZzxdpadLHcU_Ql2ZLrAr9BU,1394
285
+ mat3ra/esse/models/properties_directory/non_scalar/reaction_energy_profile.py,sha256=jfTA8ap_9Z_xLPPCB-ePUvYxAkJdqfhuwIgAEyQFYv8,1431
286
+ mat3ra/esse/models/properties_directory/non_scalar/stress_tensor.py,sha256=sEhKuCuY9TwGjX-ylBslMPS-7Xfp6fUrrfUb_WpjzsU,768
287
+ mat3ra/esse/models/properties_directory/non_scalar/total_energy_contributions.py,sha256=nH-ZXFNmabo8_y0GDOjAQjN_hBdsB2LXjumYHz6t3dM,4440
288
+ mat3ra/esse/models/properties_directory/non_scalar/vibrational_spectrum.py,sha256=G6fSYU1fY_--cfzXtCHQcKb5jucSAHyi84icFEsWb-o,1562
289
+ mat3ra/esse/models/properties_directory/scalar/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
290
+ mat3ra/esse/models/properties_directory/scalar/electron_affinity.py,sha256=sWUd_PCtGByNpjKrT7fJs8bgKpH3T7vOU8XkB8DQQr8,622
291
+ mat3ra/esse/models/properties_directory/scalar/fermi_energy.py,sha256=V8bT4JvrEHLJAHXw8iAvTkJuMb2FKpuGRkyQi5R9KXw,602
292
+ mat3ra/esse/models/properties_directory/scalar/formation_energy.py,sha256=TXVnrcArFoABHh3lu6liA14VfBQRZkNZ51RyhClVKTA,618
293
+ mat3ra/esse/models/properties_directory/scalar/ionization_potential.py,sha256=qvCoyGu8HuvSN-IMNbgoagZ3AXcMy3qauykCXdbfW0I,634
294
+ mat3ra/esse/models/properties_directory/scalar/pressure.py,sha256=I6OrUOgvCUmXr1dD7Gfn17wAObEWVJW5vy6bdHf5qYE,443
295
+ mat3ra/esse/models/properties_directory/scalar/reaction_energy_barrier.py,sha256=81XnezdoQUPcC788BJUH9ycTkopm7UiH6GeBAUKM1Ls,645
296
+ mat3ra/esse/models/properties_directory/scalar/surface_energy.py,sha256=3UuvDyWZYoSjajQFgLm8hy4xymxsq6dEDc3NXlXK8ks,610
297
+ mat3ra/esse/models/properties_directory/scalar/total_energy.py,sha256=4HPU0N5DUudqx9XtbYggFSPs_ZOdXItZ0lv6IolHaoA,602
298
+ mat3ra/esse/models/properties_directory/scalar/total_force.py,sha256=8BQkex-ybOzgb7DtJrtI2KFeNKfGhFWriVYoD6t-6cc,591
299
+ mat3ra/esse/models/properties_directory/scalar/valence_band_offset.py,sha256=9b2lYPpT0jFYdCypD2fmbZ7qp9REPhhLBbVScbLSj9U,629
300
+ mat3ra/esse/models/properties_directory/scalar/zero_point_energy.py,sha256=zLStMRkVYeJ1fek5uwAVb_asLSLmBmFsoOdYOlZudd4,621
301
+ mat3ra/esse/models/properties_directory/structural/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
302
+ mat3ra/esse/models/properties_directory/structural/atomic_forces.py,sha256=1xgdYChh0Czj7OBQLLmrZ84duJi5ABdI78WslXZGcnI,967
303
+ mat3ra/esse/models/properties_directory/structural/density.py,sha256=5DnHGdXovz-hGHM8EZBzeWM5s8_oaTZ16V1_p-UfvNw,439
304
+ mat3ra/esse/models/properties_directory/structural/elemental_ratio.py,sha256=wgP50mDBnbT-T7jRruh3hrA05ramINncy2bz_e2kTiI,500
305
+ mat3ra/esse/models/properties_directory/structural/inchi.py,sha256=xCi4OEhXn8ie3zzA2W8fIM3lXNMxgk75tiZYFoQs1us,366
306
+ mat3ra/esse/models/properties_directory/structural/inchi_key.py,sha256=bxthmbu3SOeuloWXgFnIOdKtf4cokXVIP_y8Ya9Pe08,381
307
+ mat3ra/esse/models/properties_directory/structural/magnetic_moments.py,sha256=vRBh6t76V7JbYYQeCGX7JR3M6Gmls4lO2LqyHZAM_Sg,831
308
+ mat3ra/esse/models/properties_directory/structural/molecular_pattern.py,sha256=r4QF0PdH7zce_rY4-hfdvedKSjjhLAQhVHnRHdomArU,1784
309
+ mat3ra/esse/models/properties_directory/structural/p_norm.py,sha256=A6EJUYY6dzGH7Uq1jTCLj42ePRPSsg7pE4dOL3bxQmA,445
310
+ mat3ra/esse/models/properties_directory/structural/symmetry.py,sha256=aJLmfkhOBRXsJRUacU49465EEa0P_rRU8Dq8lDRFjO8,840
311
+ mat3ra/esse/models/properties_directory/structural/volume.py,sha256=nxXXQKaknwfKp43tslUza_lpa2BPpLrrIvwoq4C1ca8,443
312
+ mat3ra/esse/models/properties_directory/structural/basis/__init__.py,sha256=WOU1hB9EqrOor6kzW-Lf2X8qWIyuZFrXpPoS9R0raG4,1045
313
+ mat3ra/esse/models/properties_directory/structural/basis/atomic_constraints.py,sha256=gfHGzWxBNesYimrrvW1hdSQgk0kczMyxN4xhQ9LyMgQ,776
314
+ mat3ra/esse/models/properties_directory/structural/basis/atomic_coordinate.py,sha256=0v3Fcu-O-_BSMZfx0LgzmeAUGNiECFnO28tFNp4N4HA,406
315
+ mat3ra/esse/models/properties_directory/structural/basis/atomic_coordinates.py,sha256=1_mL6-obDb5ducGC44OFPYwFA86Z3seULebi12C8l6Y,830
316
+ mat3ra/esse/models/properties_directory/structural/basis/atomic_element.py,sha256=iA4qSiilguD0MovUqjBYCZiqYKVEgKuC-fGT99jqKkg,433
317
+ mat3ra/esse/models/properties_directory/structural/basis/atomic_label.py,sha256=Ze5gH0_CVhAJmVKusAvDJoYiH8RsrelAbjaCCqQlWNo,395
318
+ mat3ra/esse/models/properties_directory/structural/basis/bonds.py,sha256=rhr63YAe5T5R8kamscRVbn_W-aNlZhFPyaTmHQcQKMg,936
319
+ mat3ra/esse/models/properties_directory/structural/lattice/__init__.py,sha256=j3_-LdWxGo4_iNUwY2Zzs1QkGlXblUB82Xxw5Q92j24,2273
320
+ mat3ra/esse/models/properties_directory/structural/lattice/lattice_bravais.py,sha256=QytTdHhvhUCCKknKO4-VGNUk-409OokrzvyR7oRy5JE,1546
321
+ mat3ra/esse/models/properties_directory/structural/lattice/lattice_vectors.py,sha256=-U10eyztFL9IwhWVkuGMXtkI97aq9WUtwr298nW5KHw,921
322
+ mat3ra/esse/models/properties_directory/structural/lattice/type_enum.py,sha256=gZtoI5CHbSUtr9W-PqWkDBwAN-4eNCRKuEW41ZYOc-Q,448
323
+ mat3ra/esse/models/properties_directory/structural/lattice/type_extended_enum.py,sha256=jEw00CIiKdPSxpefwR0rwqPkNuIZ1Uq56emjvfQbMvo,725
324
+ mat3ra/esse/models/properties_directory/structural/patterns/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
325
+ mat3ra/esse/models/properties_directory/structural/patterns/functional_group.py,sha256=rRqr4tifkCjNuK7hrQZ6oS_Qrwr2JTZ12q365mPUbpg,926
326
+ mat3ra/esse/models/properties_directory/structural/patterns/ring.py,sha256=4MSCQ_f-fOyJbV0uyZU93eeTaL0By5NUjPW1F-m79mE,756
327
+ mat3ra/esse/models/properties_directory/structural/patterns/special_bond.py,sha256=le9K4iGzvad0R_A9V_79xGDwg-kdJsP9nFvl8_TJSXU,749
328
+ mat3ra/esse/models/properties_directory/workflow/convergence/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
329
+ mat3ra/esse/models/properties_directory/workflow/convergence/electronic.py,sha256=UrDyFRaaWG-lOA4l-YxF7p04bOMNkSx29GFJdWXwkFI,568
330
+ mat3ra/esse/models/properties_directory/workflow/convergence/ionic.py,sha256=gWEHcerdZ1YrJ5hLImAJFbWNUMr9jqS-kFGxnj0HQl4,1316
331
+ mat3ra/esse/models/properties_directory/workflow/convergence/kpoint.py,sha256=zQi62_9dhbhFfN-iaqvzftnuYWG8-iVKmVYIDID0v8w,915
332
+ mat3ra/esse/models/property/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
333
+ mat3ra/esse/models/property/base.py,sha256=mb5Q1XgYt7WrFhUir0O99ufQNzhiJog0yfoqECokquA,5003
334
+ mat3ra/esse/models/property/meta.py,sha256=i2vBnAMuEmTXNS00Id73OM4SicwTwtmaM8hGJ9-Qucw,4996
335
+ mat3ra/esse/models/property/raw.py,sha256=OhVfEY-876sr9QwnxuvHGzW_GBhhOcV11rLlASZu_RE,5000
336
+ mat3ra/esse/models/property/source.py,sha256=lr_eBXAwQ9c_I0hQUFUe9EOg7nDEgoG3CDOnsh_lo_A,3466
337
+ mat3ra/esse/models/property/base/__init__.py,sha256=DUlRfAgAm8NPwxpfFNNgHLKEJKKSdVUxBFDVkSgq9ic,5004
338
+ mat3ra/esse/models/property/base/The_source_of_a_property/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
339
+ mat3ra/esse/models/property/base/The_source_of_a_property/field_This_could_be_an_article__a_simulation_on_Exabyte__an_external_simulation__etc.py,sha256=Ri6Ljt0BIssI8U6wT-84HYlxC3NkRHPrkrAPSy0qPt8,826
340
+ mat3ra/esse/models/property/meta/__init__.py,sha256=JCqoIdJmQ9KfnREGOEzlzoXnvy66TqckPSBZz5xKUtM,4997
341
+ mat3ra/esse/models/property/meta/The_source_of_a_property/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
342
+ mat3ra/esse/models/property/meta/The_source_of_a_property/field_This_could_be_an_article__a_simulation_on_Exabyte__an_external_simulation__etc.py,sha256=APGwKbjHU1X83PXkfG8w7zEwQLdD-2u8qZX7wk5L5k0,826
343
+ mat3ra/esse/models/property/raw/__init__.py,sha256=bRctI-s7N3VGpvOuiTBuj60Y7hqlOTRqpn7hi30X4kA,5001
344
+ mat3ra/esse/models/property/raw/The_source_of_a_property/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
345
+ mat3ra/esse/models/property/raw/The_source_of_a_property/field_This_could_be_an_article__a_simulation_on_Exabyte__an_external_simulation__etc.py,sha256=_d4Ujayas-Ehblbfoq8ooSPTou9ve_3de2gGFXFKwHw,825
346
+ mat3ra/esse/models/property/source/__init__.py,sha256=EJixEBrazelX8MdYfS19-BQd3SpNbEXp2-TQmOAv5Ck,3466
347
+ mat3ra/esse/models/property/source/The_source_of_a_property/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
348
+ mat3ra/esse/models/property/source/The_source_of_a_property/field_This_could_be_an_article__a_simulation_on_Exabyte__an_external_simulation__etc.py,sha256=KUu54vLIk_EiN-kbfBgXPmnqcilU8sxEq87PGEjF-qA,828
349
+ mat3ra/esse/models/software/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
350
+ mat3ra/esse/models/software/application.py,sha256=_GYziemq6s_Cqvra7qT-ZdT_ib168hlqA7GxRS-KLk8,1359
351
+ mat3ra/esse/models/software/executable.py,sha256=pLG2bpGO1baoOLNY1zK1AeNueSvSnJWqEVGRHejfex8,1630
352
+ mat3ra/esse/models/software/flavor.py,sha256=8a2l7bD9GQkhVLdsubLL4c2MWjrCTjiSSVKQREnE9m8,2202
353
+ mat3ra/esse/models/software/template.py,sha256=Vx1ZSRDGsZpICjfwwLuqZbIiUSVv6ziHmA0KVKg-wvg,1037
354
+ mat3ra/esse/models/software_directory/ml/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
355
+ mat3ra/esse/models/software_directory/ml/exabyteml.py,sha256=EZsHS_b2XShzzSP6DSW1L7v2THz6FlcN2Jj2kUYWiEA,582
356
+ mat3ra/esse/models/software_directory/ml/unit/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
357
+ mat3ra/esse/models/software_directory/ml/unit/execution/__init__.py,sha256=uG2bHGdHhbOK9mKrLP13qBLUTusHaCWTtoFuJcIQXS0,23587
358
+ mat3ra/esse/models/software_directory/ml/unit/execution/initialize.py,sha256=rhHZUe-vGz5AtrhRBmhPX5cNiGu3XxKzoNegYyXhRDU,7520
359
+ mat3ra/esse/models/software_directory/ml/unit/execution/score.py,sha256=Z2oI5yPatOvBpgPmNFibyB5N1cipjfmPIfN8cjimRtQ,7324
360
+ mat3ra/esse/models/software_directory/ml/unit/execution/train.py,sha256=Q46fRcYC5eh9nDPO1HLOJAJAnafZyJIRutzHDoKlj_o,7534
361
+ mat3ra/esse/models/software_directory/ml/unit/execution/evaluate/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
362
+ mat3ra/esse/models/software_directory/ml/unit/execution/evaluate/cross_validate.py,sha256=bmjLHW0yo0YlzH04w05qUjchyXWD2B9z1d2VpQKO2Mo,7499
363
+ mat3ra/esse/models/software_directory/ml/unit/processing/__init__.py,sha256=fLXqMvnLHQZNvphe8wn_w4sS1iXAmTnH7k0ctO4li68,6749
364
+ mat3ra/esse/models/software_directory/ml/unit/processing/data_transformation/__init__.py,sha256=SmlsA0yfb4pla5gigrK_Yo03jgkTzwojTSxg3-gPhBs,3901
365
+ mat3ra/esse/models/software_directory/ml/unit/processing/data_transformation/manipulation.py,sha256=ibzP1_EAN8-NN8sib5xpzJTNX9CWZB2yZYZd5XvHw48,3478
366
+ mat3ra/esse/models/software_directory/ml/unit/processing/data_transformation/scale_and_reduce.py,sha256=MqY7yewDmOCzxRWLX6f7NdVgDrIe1rWN2sHuEQbKRjA,3821
367
+ mat3ra/esse/models/software_directory/ml/unit/processing/feature_selection/__init__.py,sha256=XpoTWHsyF0AdIA4ZlSjiG6RNKvrT1ovVbGo5Vn_xkaw,3593
368
+ mat3ra/esse/models/software_directory/ml/unit/processing/feature_selection/filter_based.py,sha256=LeK-ujOT6CooxArtJBhygxyZk5Bfe2p4b8amdSA_N8E,3483
369
+ mat3ra/esse/models/software_directory/modeling/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
370
+ mat3ra/esse/models/software_directory/modeling/deepmd.py,sha256=-9gwjuiMwx4hET0bXLaBj9ui9xV42C7N-Ua5jN5w2Pg,1952
371
+ mat3ra/esse/models/software_directory/modeling/nwchem.py,sha256=rOrNHaRlC7whddT_gyb-haw8J9lmFSimA_lJUYIgbQg,1815
372
+ mat3ra/esse/models/software_directory/modeling/vasp.py,sha256=nAutKdGw4rnzzPVE5uLn10yPCmhlyvqYBUU9W2Obq4E,1805
373
+ mat3ra/esse/models/software_directory/modeling/espresso/__init__.py,sha256=buLYtcBmCwYAD0fUC05bRtfoeK2HAQsK04msdpDy6AI,808
374
+ mat3ra/esse/models/software_directory/modeling/espresso/arguments.py,sha256=MVMYJEb_qQ8IkQjj3vuMBe2z0iF1BKxPzdGNRUyNIhg,2028
375
+ mat3ra/esse/models/software_directory/modeling/unit/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
376
+ mat3ra/esse/models/software_directory/modeling/unit/execution.py,sha256=jEX2bks8xUNKNLgZif-LlmaTHSIEU96HLVYALZZeR7M,7871
377
+ mat3ra/esse/models/software_directory/scripting/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
378
+ mat3ra/esse/models/software_directory/scripting/jupyter_lab.py,sha256=SP5FwLVFrP4ah3u1ilvGfjhJaQSUjea187qvHiSGUi4,1734
379
+ mat3ra/esse/models/software_directory/scripting/python.py,sha256=_HxVAX-VE8FqkOFOz6rPdtgnpyiiGrwykim5sFBmRSM,2139
380
+ mat3ra/esse/models/software_directory/scripting/shell.py,sha256=SID-msgkNSCsCVm6Ln5Zw0xMRkieOM2s0JUEOLeQak8,2051
381
+ mat3ra/esse/models/software_directory/scripting/unit/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
382
+ mat3ra/esse/models/software_directory/scripting/unit/execution.py,sha256=hhk4RSpYZkavNvPOlmbktRzaKwXV3sH1MsFBhVYpSOQ,7840
383
+ mat3ra/esse/models/system/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
384
+ mat3ra/esse/models/system/_material.py,sha256=LHmGZ_o56EHi9BfVRwRpDNzDZQOYywWl_eb4vIEZzPc,522
385
+ mat3ra/esse/models/system/_parent_job.py,sha256=14FFwVJCaWy4EOMmRzN-qSHOpJpQYx6NbeKl7tMGzOs,510
386
+ mat3ra/esse/models/system/_project.py,sha256=j2GXS9alyxDZLKxWQYA9AlRH_O3YnMMc0VofR0yE1Mw,517
387
+ mat3ra/esse/models/system/bankable.py,sha256=RALu4VBFxXBfHHTayBdcvYkcA12xUSJcuDk4M6_2u0g,484
388
+ mat3ra/esse/models/system/consistency_check.py,sha256=L8dV7rTeC08EWe1ZP-kT51sEXKsjGhOQELHdswFxPnc,803
389
+ mat3ra/esse/models/system/creator.py,sha256=ehb7D5zrzGk20TKFW_qrc7_pBjksSk_RLa7yoKBaOxQ,510
390
+ mat3ra/esse/models/system/creator_account.py,sha256=X9AvJDGqgSAyrGY6hhJKMmRAw9uEoCwSo0V14iPzhuA,591
391
+ mat3ra/esse/models/system/database_source.py,sha256=dj2aW0lI_Jk-gUWoWhRdVg1eGYmybIpZF248eQME17Y,1229
392
+ mat3ra/esse/models/system/defaultable.py,sha256=uDIWXJbb60xgcNyJYp3WuYaQv-hSI6JoZbI6wDjGalA,332
393
+ mat3ra/esse/models/system/description.py,sha256=JeZ9ZRxusBBLWzkxgftggm5EUu1gI7zUy0onPgbresk,373
394
+ mat3ra/esse/models/system/entity_reference.py,sha256=orRRZJsCtoaZMejq_2hOeIyzHG29wv-5euUtPhYJeUY,452
395
+ mat3ra/esse/models/system/file_source.py,sha256=_30XHiKIEcnxpMoH1ZW5E-sL8k0SYWXVjfWuMBJfRso,490
396
+ mat3ra/esse/models/system/has_consistency_check.py,sha256=ibWeYL6C3mxQTYKE9dFfNVU4ue4eY4yOyIF-czh7AdU,950
397
+ mat3ra/esse/models/system/history.py,sha256=7_3CmiH2fZ2OFpuw1lrckJuGmjSL-1dFNDrFrXIo7aY,340
398
+ mat3ra/esse/models/system/iframe_message.py,sha256=RKYcLEMYy8sMO1EVgja0QeCzyEHM1hUn6qn0xgLs2rk,757
399
+ mat3ra/esse/models/system/in_set.py,sha256=AQqELXNt6sNzxZCQVs2FN0Z9t-SctDCdX0M_M-u15Rg,607
400
+ mat3ra/esse/models/system/is_multi_material.py,sha256=9HwL2WsglowbQjlJ7uVMLUv6onDwU_0K2buchMJWa_I,275
401
+ mat3ra/esse/models/system/is_outdated.py,sha256=LbXYH_7ACdpWYFm-_lLrRKs86GGQ3u5S8edI6s4zEt8,267
402
+ mat3ra/esse/models/system/job_extended.py,sha256=qxiIyHXjEo2g4JkFB5ZVp5ozDv4z39HZNlBM74QdORw,921
403
+ mat3ra/esse/models/system/message.py,sha256=n9VdxhxlTfBXzfrkOdjwyZgdnnmzvv3RZWzU9bf3aQg,1012
404
+ mat3ra/esse/models/system/metadata.py,sha256=oZFqhLzqEYLV1mgYHxyCVGZ14-sRKgTEuBpMnRCe99g,281
405
+ mat3ra/esse/models/system/name.py,sha256=aFTpP_o3ln-RNJsGY3O1nc7Pd1akWisQXV1v2TxfJ8g,285
406
+ mat3ra/esse/models/system/owner.py,sha256=cDZK58ScQ1Q_QmLou7Dt5wBE8TUGwAPk91NqMyRPMXk,517
407
+ mat3ra/esse/models/system/path.py,sha256=Z8qum8WS544YoW0gjegQpFaKNPI1YJdoQZCq6rlGDms,370
408
+ mat3ra/esse/models/system/path_entity.py,sha256=bJQHs8qmjKT5gCcX8njIRORK__KZ5atReqWFRfVfT-4,446
409
+ mat3ra/esse/models/system/schema_version.py,sha256=LuxJfoh47zSHzwOs5OWDfh15cxZkfoZYSORJAzGnmNk,365
410
+ mat3ra/esse/models/system/scope.py,sha256=u-UB-HmewyDK7g6CPztQGoMdZa5IIAXt4N38C8stylo,250
411
+ mat3ra/esse/models/system/set.py,sha256=aoYGBBLPWzWqIIAiZiOZ8lQjNr2doSwxsfCPo-QAwFY,335
412
+ mat3ra/esse/models/system/sharing.py,sha256=HVzFAeEPM3PKCmAZ4UNRJD1GH-rCZ4cTbURuMhA0nJs,270
413
+ mat3ra/esse/models/system/soft_removable.py,sha256=sB9qw83EZLhJwhFGtMOHlj63_f8wxjdl4wJ2iKo0y5g,435
414
+ mat3ra/esse/models/system/status.py,sha256=q1j3BgkOZtTBEVf5-S-4xMteCfpZj23OeXTvk0v-Er0,427
415
+ mat3ra/esse/models/system/tags.py,sha256=47rtLMx0uXWXt7SgC1oo_ULTFjAKNy6e-z5dRjA6BbE,297
416
+ mat3ra/esse/models/system/timestampable.py,sha256=K_OjETeZlGTis8AHWbUDsWfElwdUVOmgb6rd3V01B90,515
417
+ mat3ra/esse/models/system/use_values.py,sha256=NUupiTBXAV4o0ChySaGAgxIyMvMEoqnb3MUGN1MgSo8,264
418
+ mat3ra/esse/models/third_party/db/nist_jarvis/2024_3.13/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
419
+ mat3ra/esse/models/third_party/db/nist_jarvis/2024_3.13/atoms.py,sha256=cT_8f1J3kqEzzeYQakbbb-TghOH9Q51-lGqHMW-nUO4,1451
420
+ mat3ra/esse/models/third_party/db/nist_jarvis/2024_3.13/db_entry.py,sha256=5mzvTHBl53b_v5qXYB9WmPrmFCsrmFQ1--IG0ssuFAc,1909
421
+ mat3ra/esse/models/third_party/file/applications/espresso/7.2/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
422
+ mat3ra/esse/models/third_party/file/applications/espresso/7.2/pw_x.py,sha256=Mb7xzAHQ2Q_gaxVsulzSqN7i0mDr9NpdTUNvVEZCVp4,74719
423
+ mat3ra/esse/models/third_party/file/applications/espresso/7.2/pw.x/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
424
+ mat3ra/esse/models/third_party/file/applications/espresso/7.2/pw.x/atomic_positions.py,sha256=VTVk6tbE8ysJw-omg65lB_zwoCftvtXXCOb8s9mzouY,1271
425
+ mat3ra/esse/models/third_party/file/applications/espresso/7.2/pw.x/atomic_species.py,sha256=QANo7AbvPQsyyCHi3s9yn0uiWGaEK-wRmWQLaBIvo_A,1180
426
+ mat3ra/esse/models/third_party/file/applications/espresso/7.2/pw.x/cell.py,sha256=NntsVTxamNQus2Kjw7zQzbcA0gzwT8ZG8V9lMwtOonM,3342
427
+ mat3ra/esse/models/third_party/file/applications/espresso/7.2/pw.x/cell_parameters.py,sha256=mKZVlTtB_VtkpHdvFc_lNCteGK1icrAcIoS1JYtRj-s,1241
428
+ mat3ra/esse/models/third_party/file/applications/espresso/7.2/pw.x/control.py,sha256=wFFFfoVtrZokJUa_Q8E254PQ8jGgue20ChDXKQbht2w,8786
429
+ mat3ra/esse/models/third_party/file/applications/espresso/7.2/pw.x/electrons.py,sha256=RSr8tLSEKnvGpHwMCnpvlNOFAoWkoB9hRcCc5qglJEA,4849
430
+ mat3ra/esse/models/third_party/file/applications/espresso/7.2/pw.x/hubbard.py,sha256=cpLf1WIFKiBBITOtwdfTMDITey0-RWFt7YYrG0cpxis,4541
431
+ mat3ra/esse/models/third_party/file/applications/espresso/7.2/pw.x/ions.py,sha256=x9z_-fv2nLNIvi5DvAnMHsNgfpwxHHm2lesZi8PS_gM,15280
432
+ mat3ra/esse/models/third_party/file/applications/espresso/7.2/pw.x/k_points.py,sha256=hsX6lP_-ogOpgASJHNUmHxJzHtODOeUaAIPUVRowTYY,1602
433
+ mat3ra/esse/models/third_party/file/applications/espresso/7.2/pw.x/system.py,sha256=f1yAIjBanUacmmB8qG0zGoZNJoStMjOK2b4CldqKnmU,34350
434
+ mat3ra/esse/models/workflow/__init__.py,sha256=iLO59cteWZYjVsJS5ecF3COT37xI6IdwCegKL3_gZlU,59612
435
+ mat3ra/esse/models/workflow/base.py,sha256=7dDTOLX9JmBJlimUj8UlCrmKHWNuaOMiQpHGEuS0-IY,1252
436
+ mat3ra/esse/models/workflow/base_flow.py,sha256=cvAa8lNFHyOyVsqs1dqE6vieRcnET_7Hn-du93BnHKA,5987
437
+ mat3ra/esse/models/workflow/scope.py,sha256=d_JktEhzg7Ls9LN01cT9kr-Lyv0i9OKZFm6grADKQN4,319
438
+ mat3ra/esse/models/workflow/subworkflow/__init__.py,sha256=sKuAb3RWSJKLdxs8chy9f-w_xIWj4xHm0MczzyHu3z4,31928
439
+ mat3ra/esse/models/workflow/subworkflow/unit.py,sha256=WpBArpsM-Jf6GNkGmEIX0r7DPyLfiqGaiJI2QNS86-g,25009
440
+ mat3ra/esse/models/workflow/unit/__init__.py,sha256=m0sYHojt_pIbjtKmLhO0acE3zPASPLy5nkiqGBsBGv4,30048
441
+ mat3ra/esse/models/workflow/unit/assertion.py,sha256=xcHjoNLKKIVThQC0E_uLX8xgcFlRocEYmJm4sXpI-kU,2808
442
+ mat3ra/esse/models/workflow/unit/assignment.py,sha256=iq24Xmh2vNqU2iKQRkhGhckNfT_W0CQU1e_AdFbenj8,3347
443
+ mat3ra/esse/models/workflow/unit/base.py,sha256=FRFFm07xLOwsxmD8ycG_Lc2kMHNMVnmy5oPtvUG6j_o,2589
444
+ mat3ra/esse/models/workflow/unit/condition.py,sha256=aJw8CUp8Z172Nu0PqKy1sQrsJzmyg5CJY6HswLacxCQ,3461
445
+ mat3ra/esse/models/workflow/unit/execution.py,sha256=1YUJf5CXVCVdhoFoVYBIuF5egrKXvUYpx-4zmvEIC-w,7312
446
+ mat3ra/esse/models/workflow/unit/map.py,sha256=-BEEGsm8CsJ8jXRUVguWrqRb0VVYL77VHqEjvNgSGSg,3455
447
+ mat3ra/esse/models/workflow/unit/processing.py,sha256=DyJe3LQ6k1CWmezkc0Vg5aB3_W53sDQPNh7kWqAb2io,2933
448
+ mat3ra/esse/models/workflow/unit/reduce.py,sha256=nSu3YZOuruqwdzWxoTL8m8R5d5NIx9D3i27TqHvisW4,2992
449
+ mat3ra/esse/models/workflow/unit/subworkflow.py,sha256=PkZFIbiW8Vhi8BTn1r8gi5f3T8GKVGK1BRCyFW9XYXE,2648
450
+ mat3ra/esse/models/workflow/unit/input/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
451
+ mat3ra/esse/models/workflow/unit/input/_input.py,sha256=2CGxyRnYkdKy1kJmHiCPhbIrUqkZjsMF0072iqpYJvs,1189
452
+ mat3ra/esse/models/workflow/unit/input/_inputItem.py,sha256=PF8nSvxJ3SlHpf8N42NlZshw7yqFvb_qsO6ST-BLnHc,425
453
+ mat3ra/esse/models/workflow/unit/input/_inputItemId.py,sha256=Fz8Nad2oYiSWv4_r_udzjTAn3klBXaM32Vx6Nx5h6mQ,555
454
+ mat3ra/esse/models/workflow/unit/input/_inputItemScope.py,sha256=fTCCX3tnERlU7mUd24ufRor3ZEFUKyaRZ-noroZ_KF4,392
455
+ mat3ra/esse/models/workflow/unit/input/_map_input/__init__.py,sha256=EWese8D4VOvFbvTGxPS19Iw0RGu9uVo9r1VddFdYWnc,469
456
+ mat3ra/esse/models/workflow/unit/input/_map_input/values.py,sha256=pLWRsTkDR2-wM2IXFzb1r--x4O4k6-FeNrHNtVSO9mM,281
457
+ mat3ra/esse/models/workflow/unit/io/__init__.py,sha256=YxSadjgJgh0NpGbyjNZR_jyATVw0w8kL2pAbZHi5n0s,5097
458
+ mat3ra/esse/models/workflow/unit/io/api.py,sha256=yr6o-UJfQW_LmyIaP2yKfcAdWdv2dcFo5d-sPT67uR0,575
459
+ mat3ra/esse/models/workflow/unit/io/db.py,sha256=HzI23XIGT_vGK9MG14u8zMcgXmX2tQwuWJPMSguYDfE,943
460
+ mat3ra/esse/models/workflow/unit/io/object_storage.py,sha256=O8u-iS4YamCC1A4vq_4CFjNSRK4yoEmi1xI9hQqoOwA,1465
461
+ mat3ra/esse/models/workflow/unit/runtime/__init__.py,sha256=Khec_bQt22_UudNLJljxWJHuNkGBdUPiOQK0weEBcZ4,78
462
+ mat3ra/esse/models/workflow/unit/runtime/_runtime_item_full_object.py,sha256=GdGNhCra_xz-txbXZhGAEq6RAstMrTKtts7EzfEKI8s,340
463
+ mat3ra/esse/models/workflow/unit/runtime/_runtime_item_name_object.py,sha256=CIbonjbdKKKMtCZ5EmRzIrPYJbDwEHS_gpAVQj00oUY,304
464
+ mat3ra/esse/models/workflow/unit/runtime/_runtime_item_string.py,sha256=VouM6ETdIKTiktSTeEpP2pdHZuYHwHrir4W5TLoO_sE,354
465
+ mat3ra/esse/models/workflow/unit/runtime/runtime_item.py,sha256=PujG7jcL8RDok9RSJiEKEB85-uGLoimVnK2k7gqyf2I,471
466
+ mat3ra/esse/models/workflow/unit/runtime/runtime_items.py,sha256=Yi53LFKBWqx8oGA1Po38ulfSy-QaBP38VwWk45Q7ZJQ,943
467
+ mat3ra_esse-2025.4.3.post0.dist-info/licenses/LICENSE.md,sha256=CBGo1CDw-8EWCk7x9HOiF-OShdnHY6j__TjFyZPpQME,563
468
+ mat3ra_esse-2025.4.3.post0.dist-info/METADATA,sha256=SasWHJmepVDl1CUV_m3m2RM1xpIl7GnMtnRqytPrH_8,8950
469
+ mat3ra_esse-2025.4.3.post0.dist-info/WHEEL,sha256=CmyFI0kx5cdEMTLiONQRbGQwjIoR1aIYB7eCAQ4KPJ0,91
470
+ mat3ra_esse-2025.4.3.post0.dist-info/top_level.txt,sha256=GizAtvIqqIcCWShlThl_mgig_bZs_LFyqVah6wrGHIs,7
471
+ mat3ra_esse-2025.4.3.post0.dist-info/RECORD,,
@@ -1,5 +1,5 @@
1
1
  Wheel-Version: 1.0
2
- Generator: setuptools (75.8.0)
2
+ Generator: setuptools (78.1.0)
3
3
  Root-Is-Purelib: true
4
4
  Tag: py3-none-any
5
5