@mat3ra/esse 2024.3.20-0 → 2024.3.25-0

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 (596) hide show
  1. package/.eslintrc.json +1 -1
  2. package/{build_schemas.js → build_schemas.ts} +3 -2
  3. package/compile_ts.ts +1 -1
  4. package/{lib → dist}/js/esse/utils.js +1 -0
  5. package/{lib → dist}/js/utils/ajv.js +4 -0
  6. package/package.json +31 -25
  7. package/schema/system/timestampable.json +2 -16
  8. package/src/js/esse/utils.ts +1 -0
  9. package/src/js/utils/ajv.ts +5 -1
  10. package/tsconfig-transpile.json +3 -0
  11. package/tsconfig.json +1 -32
  12. package/lib/js/example/3pse/db/nist_jarvis/2024.3.13/db_entry.json +0 -91
  13. package/lib/js/example/3pse/file/applications/espresso/7.2/pw.x.json +0 -94
  14. package/lib/js/example/core/abstract/2d_data.json +0 -19
  15. package/lib/js/example/core/abstract/2d_plot.json +0 -26
  16. package/lib/js/example/core/abstract/3d_grid.json +0 -12
  17. package/lib/js/example/core/abstract/3d_tensor.json +0 -17
  18. package/lib/js/example/core/abstract/3d_vector_basis.json +0 -17
  19. package/lib/js/example/core/abstract/point.json +0 -5
  20. package/lib/js/example/core/abstract/vector.json +0 -5
  21. package/lib/js/example/core/primitive/1d_data_series.json +0 -12
  22. package/lib/js/example/core/primitive/3d_lattice.json +0 -8
  23. package/lib/js/example/core/primitive/array_of_3_booleans.json +0 -5
  24. package/lib/js/example/core/primitive/array_of_3_numbers.json +0 -5
  25. package/lib/js/example/core/primitive/array_of_ids.json +0 -8
  26. package/lib/js/example/core/primitive/axis.json +0 -4
  27. package/lib/js/example/core/primitive/scalar.json +0 -3
  28. package/lib/js/example/core/primitive/string.json +0 -3
  29. package/lib/js/example/core/reference/experiment/condition.json +0 -12
  30. package/lib/js/example/core/reference/experiment/location.json +0 -4
  31. package/lib/js/example/core/reference/experiment.json +0 -38
  32. package/lib/js/example/core/reference/literature/name.json +0 -5
  33. package/lib/js/example/core/reference/literature/pages.json +0 -4
  34. package/lib/js/example/core/reference/literature.json +0 -10
  35. package/lib/js/example/core/reference/modeling/exabyte.json +0 -9
  36. package/lib/js/example/core/reference/modeling.json +0 -9
  37. package/lib/js/example/core/reference.json +0 -9
  38. package/lib/js/example/core/reusable/atomic_vectors.json +0 -18
  39. package/lib/js/example/core/reusable/band_gap.json +0 -16
  40. package/lib/js/example/core/reusable/energy.json +0 -5
  41. package/lib/js/example/core/reusable/file_metadata.json +0 -5
  42. package/lib/js/example/core/reusable/object_storage_container_data.json +0 -8
  43. package/lib/js/example/element.json +0 -17
  44. package/lib/js/example/job/compute.json +0 -26
  45. package/lib/js/example/job.json +0 -183
  46. package/lib/js/example/material.json +0 -128
  47. package/lib/js/example/method/categorized_method.json +0 -47
  48. package/lib/js/example/method/method_parameters.json +0 -3
  49. package/lib/js/example/method.json +0 -7
  50. package/lib/js/example/methods_directory/legacy/localorbital.json +0 -4
  51. package/lib/js/example/methods_directory/legacy/pseudopotential.json +0 -4
  52. package/lib/js/example/methods_directory/legacy/regression.json +0 -61
  53. package/lib/js/example/methods_directory/legacy/unknown.json +0 -4
  54. package/lib/js/example/methods_directory/mathematical/cg.json +0 -10
  55. package/lib/js/example/methods_directory/mathematical/regression.json +0 -65
  56. package/lib/js/example/methods_directory/physical/ao/dunning.json +0 -13
  57. package/lib/js/example/methods_directory/physical/psp/file.json +0 -54
  58. package/lib/js/example/methods_directory/physical/psp.json +0 -67
  59. package/lib/js/example/methods_directory/physical/pw.json +0 -9
  60. package/lib/js/example/methods_directory/physical/smearing.json +0 -10
  61. package/lib/js/example/methods_directory/physical/tetrahedron.json +0 -10
  62. package/lib/js/example/model/categorized_model.json +0 -77
  63. package/lib/js/example/model/model_parameters.json +0 -7
  64. package/lib/js/example/model.json +0 -11
  65. package/lib/js/example/models_category/pb/qm/abin/gw.json +0 -7
  66. package/lib/js/example/models_category/pb/qm/dft/ksdft.json +0 -6
  67. package/lib/js/example/models_category/pb/qm/semp.json +0 -5
  68. package/lib/js/example/models_directory/gga.json +0 -15
  69. package/lib/js/example/models_directory/gw.json +0 -15
  70. package/lib/js/example/models_directory/hybrid.json +0 -15
  71. package/lib/js/example/models_directory/lda.json +0 -15
  72. package/lib/js/example/models_directory/legacy/dft.json +0 -12
  73. package/lib/js/example/models_directory/legacy/ml.json +0 -11
  74. package/lib/js/example/models_directory/legacy/unknown.json +0 -11
  75. package/lib/js/example/models_directory/re.json +0 -10
  76. package/lib/js/example/project.json +0 -25
  77. package/lib/js/example/properties_directory/electronic_configuration.json +0 -4
  78. package/lib/js/example/properties_directory/elemental/atomic_radius.json +0 -4
  79. package/lib/js/example/properties_directory/elemental/electronegativity.json +0 -4
  80. package/lib/js/example/properties_directory/elemental/ionization_potential.json +0 -4
  81. package/lib/js/example/properties_directory/non_scalar/band_gaps.json +0 -25
  82. package/lib/js/example/properties_directory/non_scalar/band_structure.json +0 -47
  83. package/lib/js/example/properties_directory/non_scalar/charge_density_profile.json +0 -22
  84. package/lib/js/example/properties_directory/non_scalar/density_of_states.json +0 -55
  85. package/lib/js/example/properties_directory/non_scalar/dielectric_tensor.json +0 -133
  86. package/lib/js/example/properties_directory/non_scalar/file_content.json +0 -13
  87. package/lib/js/example/properties_directory/non_scalar/hubbard_u.json +0 -24
  88. package/lib/js/example/properties_directory/non_scalar/hubbard_v.json +0 -22
  89. package/lib/js/example/properties_directory/non_scalar/hubbard_v_nn.json +0 -24
  90. package/lib/js/example/properties_directory/non_scalar/phonon_dispersions.json +0 -41
  91. package/lib/js/example/properties_directory/non_scalar/phonon_dos.json +0 -37
  92. package/lib/js/example/properties_directory/non_scalar/potential_profile.json +0 -32
  93. package/lib/js/example/properties_directory/non_scalar/reaction_energy_profile.json +0 -30
  94. package/lib/js/example/properties_directory/non_scalar/stress_tensor.json +0 -21
  95. package/lib/js/example/properties_directory/non_scalar/total_energy_contributions.json +0 -44
  96. package/lib/js/example/properties_directory/non_scalar/vibrational_spectrum.json +0 -25
  97. package/lib/js/example/properties_directory/scalar/electron_affinity.json +0 -5
  98. package/lib/js/example/properties_directory/scalar/fermi_energy.json +0 -5
  99. package/lib/js/example/properties_directory/scalar/formation_energy.json +0 -5
  100. package/lib/js/example/properties_directory/scalar/ionization_potential.json +0 -5
  101. package/lib/js/example/properties_directory/scalar/pressure.json +0 -5
  102. package/lib/js/example/properties_directory/scalar/reaction_energy_barrier.json +0 -5
  103. package/lib/js/example/properties_directory/scalar/surface_energy.json +0 -5
  104. package/lib/js/example/properties_directory/scalar/total_energy.json +0 -5
  105. package/lib/js/example/properties_directory/scalar/total_force.json +0 -5
  106. package/lib/js/example/properties_directory/scalar/valence_band_offset.json +0 -5
  107. package/lib/js/example/properties_directory/scalar/zero_point_energy.json +0 -5
  108. package/lib/js/example/properties_directory/structural/atomic_forces.json +0 -22
  109. package/lib/js/example/properties_directory/structural/basis/atomic_constraints.json +0 -21
  110. package/lib/js/example/properties_directory/structural/basis/atomic_coordinate.json +0 -8
  111. package/lib/js/example/properties_directory/structural/basis/atomic_coordinates.json +0 -21
  112. package/lib/js/example/properties_directory/structural/basis/atomic_element.json +0 -4
  113. package/lib/js/example/properties_directory/structural/basis/bonds.json +0 -24
  114. package/lib/js/example/properties_directory/structural/basis.json +0 -46
  115. package/lib/js/example/properties_directory/structural/density.json +0 -5
  116. package/lib/js/example/properties_directory/structural/elemental_ratio.json +0 -5
  117. package/lib/js/example/properties_directory/structural/inchi.json +0 -4
  118. package/lib/js/example/properties_directory/structural/inchi_key.json +0 -4
  119. package/lib/js/example/properties_directory/structural/lattice/lattice_bravais.json +0 -13
  120. package/lib/js/example/properties_directory/structural/lattice/lattice_vectors.json +0 -19
  121. package/lib/js/example/properties_directory/structural/lattice.json +0 -33
  122. package/lib/js/example/properties_directory/structural/magnetic_moments.json +0 -22
  123. package/lib/js/example/properties_directory/structural/molecular_pattern.json +0 -71
  124. package/lib/js/example/properties_directory/structural/p_norm.json +0 -5
  125. package/lib/js/example/properties_directory/structural/symmetry.json +0 -9
  126. package/lib/js/example/properties_directory/structural/volume.json +0 -5
  127. package/lib/js/example/properties_directory/workflow/convergence/electronic.json +0 -15
  128. package/lib/js/example/properties_directory/workflow/convergence/ionic.json +0 -20
  129. package/lib/js/example/properties_directory/workflow/convergence/kpoint.json +0 -22
  130. package/lib/js/example/property/base.json +0 -31
  131. package/lib/js/example/software/application.json +0 -7
  132. package/lib/js/example/software/executable.json +0 -20
  133. package/lib/js/example/software/flavor.json +0 -9
  134. package/lib/js/example/software/template.json +0 -14
  135. package/lib/js/example/software_directory/ml/exabyteml.json +0 -6
  136. package/lib/js/example/software_directory/ml/unit/execution/evaluate/cross_validate.json +0 -20
  137. package/lib/js/example/software_directory/ml/unit/execution/initialize.json +0 -23
  138. package/lib/js/example/software_directory/ml/unit/execution/score.json +0 -18
  139. package/lib/js/example/software_directory/ml/unit/execution/train.json +0 -29
  140. package/lib/js/example/software_directory/ml/unit/processing/data_transformation/manipulation.json +0 -14
  141. package/lib/js/example/software_directory/ml/unit/processing/data_transformation/scale_and_reduce.json +0 -26
  142. package/lib/js/example/software_directory/ml/unit/processing/feature_selection/filter_based.json +0 -13
  143. package/lib/js/example/software_directory/modeling/espresso/arguments.json +0 -5
  144. package/lib/js/example/software_directory/modeling/espresso.json +0 -6
  145. package/lib/js/example/software_directory/modeling/nwchem.json +0 -6
  146. package/lib/js/example/software_directory/modeling/unit/execution.json +0 -19
  147. package/lib/js/example/software_directory/modeling/vasp.json +0 -6
  148. package/lib/js/example/software_directory/scripting/jupyter_lab.json +0 -8
  149. package/lib/js/example/software_directory/scripting/python.json +0 -8
  150. package/lib/js/example/software_directory/scripting/shell.json +0 -8
  151. package/lib/js/example/software_directory/scripting/unit/execution.json +0 -22
  152. package/lib/js/example/system/_material.json +0 -5
  153. package/lib/js/example/system/_parent_job.json +0 -5
  154. package/lib/js/example/system/_project.json +0 -5
  155. package/lib/js/example/system/consistency_check.json +0 -6
  156. package/lib/js/example/system/creator.json +0 -5
  157. package/lib/js/example/system/entity_reference.json +0 -5
  158. package/lib/js/example/system/file_source.json +0 -6
  159. package/lib/js/example/system/iframe_message.json +0 -9
  160. package/lib/js/example/system/message.json +0 -16
  161. package/lib/js/example/system/owner.json +0 -5
  162. package/lib/js/example/workflow/subworkflow.json +0 -93
  163. package/lib/js/example/workflow/unit/assignment.json +0 -19
  164. package/lib/js/example/workflow/unit/condition.json +0 -22
  165. package/lib/js/example/workflow/unit/execution.json +0 -66
  166. package/lib/js/example/workflow/unit/input/_inputItemScope.json +0 -4
  167. package/lib/js/example/workflow/unit/io/api.json +0 -31
  168. package/lib/js/example/workflow/unit/io/db.json +0 -15
  169. package/lib/js/example/workflow/unit/io/object_storage.json +0 -12
  170. package/lib/js/example/workflow/unit/io.json +0 -41
  171. package/lib/js/example/workflow/unit/map.json +0 -16
  172. package/lib/js/example/workflow/unit/processing.json +0 -13
  173. package/lib/js/example/workflow/unit/reduce.json +0 -16
  174. package/lib/js/example/workflow/unit/runtime/runtime_items.json +0 -14
  175. package/lib/js/example/workflow.json +0 -129
  176. package/lib/js/schema/3pse/db/nist_jarvis/2024.3.13/atoms.json +0 -79
  177. package/lib/js/schema/3pse/db/nist_jarvis/2024.3.13/db_entry.json +0 -91
  178. package/lib/js/schema/3pse/file/applications/espresso/7.2/pw.x/atomic_positions.json +0 -72
  179. package/lib/js/schema/3pse/file/applications/espresso/7.2/pw.x/atomic_species.json +0 -30
  180. package/lib/js/schema/3pse/file/applications/espresso/7.2/pw.x/cell.json +0 -89
  181. package/lib/js/schema/3pse/file/applications/espresso/7.2/pw.x/cell_parameters.json +0 -54
  182. package/lib/js/schema/3pse/file/applications/espresso/7.2/pw.x/control.json +0 -181
  183. package/lib/js/schema/3pse/file/applications/espresso/7.2/pw.x/electrons.json +0 -163
  184. package/lib/js/schema/3pse/file/applications/espresso/7.2/pw.x/hubbard.json +0 -219
  185. package/lib/js/schema/3pse/file/applications/espresso/7.2/pw.x/ions.json +0 -216
  186. package/lib/js/schema/3pse/file/applications/espresso/7.2/pw.x/k_points.json +0 -87
  187. package/lib/js/schema/3pse/file/applications/espresso/7.2/pw.x/system.json +0 -652
  188. package/lib/js/schema/3pse/file/applications/espresso/7.2/pw.x.json +0 -1776
  189. package/lib/js/schema/core/abstract/2d_data.json +0 -31
  190. package/lib/js/schema/core/abstract/2d_plot.json +0 -74
  191. package/lib/js/schema/core/abstract/3d_grid.json +0 -32
  192. package/lib/js/schema/core/abstract/3d_tensor.json +0 -18
  193. package/lib/js/schema/core/abstract/3d_vector_basis.json +0 -43
  194. package/lib/js/schema/core/abstract/point.json +0 -11
  195. package/lib/js/schema/core/abstract/vector.json +0 -27
  196. package/lib/js/schema/core/primitive/1d_data_series.json +0 -16
  197. package/lib/js/schema/core/primitive/3d_lattice.json +0 -40
  198. package/lib/js/schema/core/primitive/array_of_3_booleans.json +0 -11
  199. package/lib/js/schema/core/primitive/array_of_3_numbers.json +0 -11
  200. package/lib/js/schema/core/primitive/array_of_ids.json +0 -16
  201. package/lib/js/schema/core/primitive/array_of_strings.json +0 -11
  202. package/lib/js/schema/core/primitive/axis.json +0 -19
  203. package/lib/js/schema/core/primitive/group_info.json +0 -16
  204. package/lib/js/schema/core/primitive/integer_one_or_zero.json +0 -8
  205. package/lib/js/schema/core/primitive/linked_list/base_node.json +0 -36
  206. package/lib/js/schema/core/primitive/linked_list/named_node.json +0 -40
  207. package/lib/js/schema/core/primitive/linked_list/named_node_in_group.json +0 -48
  208. package/lib/js/schema/core/primitive/linked_list/node_with_type.json +0 -39
  209. package/lib/js/schema/core/primitive/linked_list.json +0 -171
  210. package/lib/js/schema/core/primitive/scalar.json +0 -14
  211. package/lib/js/schema/core/primitive/slugified_entry.json +0 -21
  212. package/lib/js/schema/core/primitive/slugified_entry_or_slug.json +0 -31
  213. package/lib/js/schema/core/primitive/string.json +0 -14
  214. package/lib/js/schema/core/reference/exabyte.json +0 -19
  215. package/lib/js/schema/core/reference/experiment/condition.json +0 -31
  216. package/lib/js/schema/core/reference/experiment/location.json +0 -20
  217. package/lib/js/schema/core/reference/experiment.json +0 -249
  218. package/lib/js/schema/core/reference/literature/name.json +0 -24
  219. package/lib/js/schema/core/reference/literature/pages.json +0 -17
  220. package/lib/js/schema/core/reference/literature.json +0 -131
  221. package/lib/js/schema/core/reference/modeling/exabyte.json +0 -46
  222. package/lib/js/schema/core/reference/modeling.json +0 -52
  223. package/lib/js/schema/core/reference.json +0 -436
  224. package/lib/js/schema/core/reusable/atomic_data/per_orbital.json +0 -22
  225. package/lib/js/schema/core/reusable/atomic_data/per_orbital_pair.json +0 -39
  226. package/lib/js/schema/core/reusable/atomic_data/value_number.json +0 -13
  227. package/lib/js/schema/core/reusable/atomic_data/value_string.json +0 -13
  228. package/lib/js/schema/core/reusable/atomic_data_per_orbital_numeric.json +0 -26
  229. package/lib/js/schema/core/reusable/atomic_data_per_orbital_pair_numeric.json +0 -43
  230. package/lib/js/schema/core/reusable/atomic_orbital.json +0 -32
  231. package/lib/js/schema/core/reusable/atomic_scalars.json +0 -29
  232. package/lib/js/schema/core/reusable/atomic_strings.json +0 -19
  233. package/lib/js/schema/core/reusable/atomic_vectors.json +0 -42
  234. package/lib/js/schema/core/reusable/band_gap.json +0 -64
  235. package/lib/js/schema/core/reusable/categories.json +0 -159
  236. package/lib/js/schema/core/reusable/category_path.json +0 -7
  237. package/lib/js/schema/core/reusable/dielectric_tensor_component.json +0 -46
  238. package/lib/js/schema/core/reusable/energy.json +0 -39
  239. package/lib/js/schema/core/reusable/file_metadata.json +0 -21
  240. package/lib/js/schema/core/reusable/frequency_function_matrix.json +0 -30
  241. package/lib/js/schema/core/reusable/object_storage_container_data.json +0 -32
  242. package/lib/js/schema/definitions/units.json +0 -103
  243. package/lib/js/schema/element.json +0 -103
  244. package/lib/js/schema/in_memory_entity/base.json +0 -65
  245. package/lib/js/schema/in_memory_entity/defaultable.json +0 -70
  246. package/lib/js/schema/in_memory_entity/named.json +0 -69
  247. package/lib/js/schema/in_memory_entity/named_defaultable.json +0 -74
  248. package/lib/js/schema/in_memory_entity/named_defaultable_has_metadata.json +0 -77
  249. package/lib/js/schema/in_memory_entity/named_defaultable_runtime_items.json +0 -194
  250. package/lib/js/schema/job/base.json +0 -378
  251. package/lib/js/schema/job/compute.json +0 -178
  252. package/lib/js/schema/job.json +0 -6866
  253. package/lib/js/schema/material/conventional.json +0 -11
  254. package/lib/js/schema/material.json +0 -645
  255. package/lib/js/schema/method/categorized_method.json +0 -221
  256. package/lib/js/schema/method/method_parameters.json +0 -47
  257. package/lib/js/schema/method/unit_method.json +0 -191
  258. package/lib/js/schema/method.json +0 -28
  259. package/lib/js/schema/methods_category/mathematical/diff/enum_options.json +0 -8
  260. package/lib/js/schema/methods_category/mathematical/diff/fd.json +0 -165
  261. package/lib/js/schema/methods_category/mathematical/diff.json +0 -162
  262. package/lib/js/schema/methods_category/mathematical/discr/enum_options.json +0 -8
  263. package/lib/js/schema/methods_category/mathematical/discr/mesh/enum_options.json +0 -18
  264. package/lib/js/schema/methods_category/mathematical/discr/mesh/hybrid.json +0 -168
  265. package/lib/js/schema/methods_category/mathematical/discr/mesh/nstruct.json +0 -168
  266. package/lib/js/schema/methods_category/mathematical/discr/mesh/struct/cartesian.json +0 -171
  267. package/lib/js/schema/methods_category/mathematical/discr/mesh/struct/enum_options.json +0 -8
  268. package/lib/js/schema/methods_category/mathematical/discr/mesh/struct.json +0 -168
  269. package/lib/js/schema/methods_category/mathematical/discr/mesh.json +0 -165
  270. package/lib/js/schema/methods_category/mathematical/discr.json +0 -162
  271. package/lib/js/schema/methods_category/mathematical/enum_options.json +0 -45
  272. package/lib/js/schema/methods_category/mathematical/fapprx/basisexp.json +0 -165
  273. package/lib/js/schema/methods_category/mathematical/fapprx/enum_options.json +0 -13
  274. package/lib/js/schema/methods_category/mathematical/fapprx/ipol/enum_options.json +0 -18
  275. package/lib/js/schema/methods_category/mathematical/fapprx/ipol/lin.json +0 -168
  276. package/lib/js/schema/methods_category/mathematical/fapprx/ipol/poly.json +0 -168
  277. package/lib/js/schema/methods_category/mathematical/fapprx/ipol/spline.json +0 -168
  278. package/lib/js/schema/methods_category/mathematical/fapprx/ipol.json +0 -165
  279. package/lib/js/schema/methods_category/mathematical/fapprx.json +0 -162
  280. package/lib/js/schema/methods_category/mathematical/intgr/analytic/enum_options.json +0 -20
  281. package/lib/js/schema/methods_category/mathematical/intgr/analytic/volume.json +0 -178
  282. package/lib/js/schema/methods_category/mathematical/intgr/analytic.json +0 -165
  283. package/lib/js/schema/methods_category/mathematical/intgr/diffeq/enum_options.json +0 -13
  284. package/lib/js/schema/methods_category/mathematical/intgr/diffeq/order1.json +0 -168
  285. package/lib/js/schema/methods_category/mathematical/intgr/diffeq/order2.json +0 -168
  286. package/lib/js/schema/methods_category/mathematical/intgr/diffeq.json +0 -165
  287. package/lib/js/schema/methods_category/mathematical/intgr/enum_options.json +0 -23
  288. package/lib/js/schema/methods_category/mathematical/intgr/numquad/enum_options.json +0 -13
  289. package/lib/js/schema/methods_category/mathematical/intgr/numquad/gauss.json +0 -168
  290. package/lib/js/schema/methods_category/mathematical/intgr/numquad/newcot.json +0 -168
  291. package/lib/js/schema/methods_category/mathematical/intgr/numquad.json +0 -165
  292. package/lib/js/schema/methods_category/mathematical/intgr/transf/enum_options.json +0 -8
  293. package/lib/js/schema/methods_category/mathematical/intgr/transf/fourier.json +0 -168
  294. package/lib/js/schema/methods_category/mathematical/intgr/transf.json +0 -165
  295. package/lib/js/schema/methods_category/mathematical/intgr.json +0 -162
  296. package/lib/js/schema/methods_category/mathematical/linalg/dcomp.json +0 -165
  297. package/lib/js/schema/methods_category/mathematical/linalg/diag/davidson.json +0 -168
  298. package/lib/js/schema/methods_category/mathematical/linalg/diag/enum_options.json +0 -8
  299. package/lib/js/schema/methods_category/mathematical/linalg/diag.json +0 -165
  300. package/lib/js/schema/methods_category/mathematical/linalg/enum_options.json +0 -23
  301. package/lib/js/schema/methods_category/mathematical/linalg/lintra.json +0 -165
  302. package/lib/js/schema/methods_category/mathematical/linalg/matf.json +0 -165
  303. package/lib/js/schema/methods_category/mathematical/linalg.json +0 -162
  304. package/lib/js/schema/methods_category/mathematical/opt/diff/bracket.json +0 -168
  305. package/lib/js/schema/methods_category/mathematical/opt/diff/enum_options.json +0 -28
  306. package/lib/js/schema/methods_category/mathematical/opt/diff/local.json +0 -168
  307. package/lib/js/schema/methods_category/mathematical/opt/diff/order1.json +0 -168
  308. package/lib/js/schema/methods_category/mathematical/opt/diff/order2.json +0 -168
  309. package/lib/js/schema/methods_category/mathematical/opt/diff/ordern/cg.json +0 -171
  310. package/lib/js/schema/methods_category/mathematical/opt/diff/ordern/enum_options.json +0 -8
  311. package/lib/js/schema/methods_category/mathematical/opt/diff/ordern.json +0 -168
  312. package/lib/js/schema/methods_category/mathematical/opt/diff.json +0 -165
  313. package/lib/js/schema/methods_category/mathematical/opt/enum_options.json +0 -18
  314. package/lib/js/schema/methods_category/mathematical/opt/ndiff/direct.json +0 -168
  315. package/lib/js/schema/methods_category/mathematical/opt/ndiff/enum_options.json +0 -18
  316. package/lib/js/schema/methods_category/mathematical/opt/ndiff/pop.json +0 -168
  317. package/lib/js/schema/methods_category/mathematical/opt/ndiff/stoch.json +0 -168
  318. package/lib/js/schema/methods_category/mathematical/opt/ndiff.json +0 -165
  319. package/lib/js/schema/methods_category/mathematical/opt/root/bracket.json +0 -168
  320. package/lib/js/schema/methods_category/mathematical/opt/root/enum_options.json +0 -13
  321. package/lib/js/schema/methods_category/mathematical/opt/root/iter.json +0 -168
  322. package/lib/js/schema/methods_category/mathematical/opt/root.json +0 -165
  323. package/lib/js/schema/methods_category/mathematical/opt.json +0 -162
  324. package/lib/js/schema/methods_category/mathematical/regression.json +0 -167
  325. package/lib/js/schema/methods_category/physical/enum_options.json +0 -8
  326. package/lib/js/schema/methods_category/physical/qm/enum_options.json +0 -8
  327. package/lib/js/schema/methods_category/physical/qm/wf/ao/dunning.json +0 -171
  328. package/lib/js/schema/methods_category/physical/qm/wf/ao/other.json +0 -171
  329. package/lib/js/schema/methods_category/physical/qm/wf/ao/pople.json +0 -171
  330. package/lib/js/schema/methods_category/physical/qm/wf/ao.json +0 -173
  331. package/lib/js/schema/methods_category/physical/qm/wf/enum_options.json +0 -63
  332. package/lib/js/schema/methods_category/physical/qm/wf/psp.json +0 -174
  333. package/lib/js/schema/methods_category/physical/qm/wf/pw.json +0 -168
  334. package/lib/js/schema/methods_category/physical/qm/wf/smearing.json +0 -174
  335. package/lib/js/schema/methods_category/physical/qm/wf/tetrahedron.json +0 -173
  336. package/lib/js/schema/methods_category/physical/qm/wf.json +0 -165
  337. package/lib/js/schema/methods_category/physical/qm.json +0 -162
  338. package/lib/js/schema/methods_directory/legacy/localorbital.json +0 -34
  339. package/lib/js/schema/methods_directory/legacy/pseudopotential.json +0 -37
  340. package/lib/js/schema/methods_directory/legacy/regression.json +0 -185
  341. package/lib/js/schema/methods_directory/legacy/unknown.json +0 -34
  342. package/lib/js/schema/methods_directory/mathematical/cg.json +0 -207
  343. package/lib/js/schema/methods_directory/mathematical/davidson.json +0 -204
  344. package/lib/js/schema/methods_directory/mathematical/regression/data.json +0 -122
  345. package/lib/js/schema/methods_directory/mathematical/regression/dataset.json +0 -21
  346. package/lib/js/schema/methods_directory/mathematical/regression/kernel_ridge/data_per_property.json +0 -47
  347. package/lib/js/schema/methods_directory/mathematical/regression/linear/data_per_property.json +0 -42
  348. package/lib/js/schema/methods_directory/mathematical/regression/per_feature_item.json +0 -23
  349. package/lib/js/schema/methods_directory/mathematical/regression/precision.json +0 -33
  350. package/lib/js/schema/methods_directory/mathematical/regression/precision_per_property.json +0 -23
  351. package/lib/js/schema/methods_directory/mathematical/regression.json +0 -354
  352. package/lib/js/schema/methods_directory/physical/ao/dunning.json +0 -230
  353. package/lib/js/schema/methods_directory/physical/ao/enum_options.json +0 -28
  354. package/lib/js/schema/methods_directory/physical/ao/other.json +0 -238
  355. package/lib/js/schema/methods_directory/physical/ao/pople.json +0 -230
  356. package/lib/js/schema/methods_directory/physical/psp/file.json +0 -140
  357. package/lib/js/schema/methods_directory/physical/psp/file_data_item.json +0 -116
  358. package/lib/js/schema/methods_directory/physical/psp.json +0 -352
  359. package/lib/js/schema/methods_directory/physical/pw.json +0 -204
  360. package/lib/js/schema/methods_directory/physical/smearing.json +0 -210
  361. package/lib/js/schema/methods_directory/physical/tetrahedron.json +0 -208
  362. package/lib/js/schema/model/categorized_model.json +0 -542
  363. package/lib/js/schema/model/mixins/dft/double_hybrid_functional.json +0 -13
  364. package/lib/js/schema/model/mixins/dft/enum_options.json +0 -30
  365. package/lib/js/schema/model/mixins/dft/gga_functional.json +0 -15
  366. package/lib/js/schema/model/mixins/dft/hybrid_functional.json +0 -14
  367. package/lib/js/schema/model/mixins/dft/lda_functional.json +0 -14
  368. package/lib/js/schema/model/mixins/dft/mgga_functional.json +0 -14
  369. package/lib/js/schema/model/mixins/dispersion_correction.json +0 -16
  370. package/lib/js/schema/model/mixins/enum_options.json +0 -22
  371. package/lib/js/schema/model/mixins/hubbard.json +0 -13
  372. package/lib/js/schema/model/mixins/spin_orbit_coupling.json +0 -12
  373. package/lib/js/schema/model/mixins/spin_polarization.json +0 -15
  374. package/lib/js/schema/model/model_parameters.json +0 -98
  375. package/lib/js/schema/model/model_without_method.json +0 -321
  376. package/lib/js/schema/model.json +0 -49
  377. package/lib/js/schema/models_category/enum_options.json +0 -13
  378. package/lib/js/schema/models_category/pb/enum_options.json +0 -8
  379. package/lib/js/schema/models_category/pb/qm/abin/enum_options.json +0 -15
  380. package/lib/js/schema/models_category/pb/qm/abin/gw.json +0 -176
  381. package/lib/js/schema/models_category/pb/qm/abin.json +0 -168
  382. package/lib/js/schema/models_category/pb/qm/dft/enum_options.json +0 -8
  383. package/lib/js/schema/models_category/pb/qm/dft/ksdft/double_hybrid.json +0 -174
  384. package/lib/js/schema/models_category/pb/qm/dft/ksdft/enum_options.json +0 -28
  385. package/lib/js/schema/models_category/pb/qm/dft/ksdft/gga.json +0 -174
  386. package/lib/js/schema/models_category/pb/qm/dft/ksdft/hybrid.json +0 -174
  387. package/lib/js/schema/models_category/pb/qm/dft/ksdft/lda.json +0 -174
  388. package/lib/js/schema/models_category/pb/qm/dft/ksdft/mgga.json +0 -174
  389. package/lib/js/schema/models_category/pb/qm/dft/ksdft.json +0 -171
  390. package/lib/js/schema/models_category/pb/qm/dft.json +0 -168
  391. package/lib/js/schema/models_category/pb/qm/enum_options.json +0 -18
  392. package/lib/js/schema/models_category/pb/qm/semp.json +0 -168
  393. package/lib/js/schema/models_category/pb/qm.json +0 -165
  394. package/lib/js/schema/models_category/pb.json +0 -162
  395. package/lib/js/schema/models_category/st/det/enum_options.json +0 -8
  396. package/lib/js/schema/models_category/st/det/ml/enum_options.json +0 -8
  397. package/lib/js/schema/models_category/st/det/ml/re.json +0 -171
  398. package/lib/js/schema/models_category/st/det/ml.json +0 -168
  399. package/lib/js/schema/models_category/st/det.json +0 -165
  400. package/lib/js/schema/models_category/st/enum_options.json +0 -8
  401. package/lib/js/schema/models_category/st.json +0 -162
  402. package/lib/js/schema/models_directory/double_hybrid.json +0 -387
  403. package/lib/js/schema/models_directory/gga.json +0 -401
  404. package/lib/js/schema/models_directory/gw.json +0 -415
  405. package/lib/js/schema/models_directory/hybrid.json +0 -400
  406. package/lib/js/schema/models_directory/lda.json +0 -400
  407. package/lib/js/schema/models_directory/legacy/dft.json +0 -154
  408. package/lib/js/schema/models_directory/legacy/ml.json +0 -55
  409. package/lib/js/schema/models_directory/legacy/unknown.json +0 -55
  410. package/lib/js/schema/models_directory/mgga.json +0 -400
  411. package/lib/js/schema/models_directory/re.json +0 -334
  412. package/lib/js/schema/project.json +0 -103
  413. package/lib/js/schema/properties_directory/derived_properties.json +0 -185
  414. package/lib/js/schema/properties_directory/electronic_configuration.json +0 -16
  415. package/lib/js/schema/properties_directory/elemental/atomic_radius.json +0 -35
  416. package/lib/js/schema/properties_directory/elemental/electronegativity.json +0 -20
  417. package/lib/js/schema/properties_directory/elemental/ionization_potential.json +0 -31
  418. package/lib/js/schema/properties_directory/non_scalar/average_potential_profile.json +0 -107
  419. package/lib/js/schema/properties_directory/non_scalar/band_gaps.json +0 -121
  420. package/lib/js/schema/properties_directory/non_scalar/band_structure.json +0 -118
  421. package/lib/js/schema/properties_directory/non_scalar/charge_density_profile.json +0 -88
  422. package/lib/js/schema/properties_directory/non_scalar/density_of_states.json +0 -123
  423. package/lib/js/schema/properties_directory/non_scalar/dielectric_tensor.json +0 -65
  424. package/lib/js/schema/properties_directory/non_scalar/file_content.json +0 -67
  425. package/lib/js/schema/properties_directory/non_scalar/hubbard_u.json +0 -56
  426. package/lib/js/schema/properties_directory/non_scalar/hubbard_v.json +0 -75
  427. package/lib/js/schema/properties_directory/non_scalar/hubbard_v_nn.json +0 -75
  428. package/lib/js/schema/properties_directory/non_scalar/phonon_dispersions.json +0 -103
  429. package/lib/js/schema/properties_directory/non_scalar/phonon_dos.json +0 -95
  430. package/lib/js/schema/properties_directory/non_scalar/potential_profile.json +0 -94
  431. package/lib/js/schema/properties_directory/non_scalar/reaction_energy_profile.json +0 -94
  432. package/lib/js/schema/properties_directory/non_scalar/stress_tensor.json +0 -36
  433. package/lib/js/schema/properties_directory/non_scalar/total_energy_contributions.json +0 -271
  434. package/lib/js/schema/properties_directory/non_scalar/vibrational_spectrum.json +0 -99
  435. package/lib/js/schema/properties_directory/scalar/electron_affinity.json +0 -42
  436. package/lib/js/schema/properties_directory/scalar/fermi_energy.json +0 -42
  437. package/lib/js/schema/properties_directory/scalar/formation_energy.json +0 -42
  438. package/lib/js/schema/properties_directory/scalar/ionization_potential.json +0 -42
  439. package/lib/js/schema/properties_directory/scalar/pressure.json +0 -26
  440. package/lib/js/schema/properties_directory/scalar/reaction_energy_barrier.json +0 -42
  441. package/lib/js/schema/properties_directory/scalar/surface_energy.json +0 -42
  442. package/lib/js/schema/properties_directory/scalar/total_energy.json +0 -42
  443. package/lib/js/schema/properties_directory/scalar/total_force.json +0 -29
  444. package/lib/js/schema/properties_directory/scalar/valence_band_offset.json +0 -42
  445. package/lib/js/schema/properties_directory/scalar/zero_point_energy.json +0 -42
  446. package/lib/js/schema/properties_directory/structural/atomic_forces.json +0 -65
  447. package/lib/js/schema/properties_directory/structural/basis/atomic_constraints.json +0 -55
  448. package/lib/js/schema/properties_directory/structural/basis/atomic_coordinate.json +0 -38
  449. package/lib/js/schema/properties_directory/structural/basis/atomic_coordinates.json +0 -68
  450. package/lib/js/schema/properties_directory/structural/basis/atomic_element.json +0 -26
  451. package/lib/js/schema/properties_directory/structural/basis/bonds.json +0 -42
  452. package/lib/js/schema/properties_directory/structural/basis.json +0 -141
  453. package/lib/js/schema/properties_directory/structural/density.json +0 -24
  454. package/lib/js/schema/properties_directory/structural/elemental_ratio.json +0 -26
  455. package/lib/js/schema/properties_directory/structural/inchi.json +0 -19
  456. package/lib/js/schema/properties_directory/structural/inchi_key.json +0 -19
  457. package/lib/js/schema/properties_directory/structural/lattice/lattice_bravais.json +0 -81
  458. package/lib/js/schema/properties_directory/structural/lattice/lattice_vectors.json +0 -63
  459. package/lib/js/schema/properties_directory/structural/lattice/type_enum.json +0 -22
  460. package/lib/js/schema/properties_directory/structural/lattice/type_extended_enum.json +0 -32
  461. package/lib/js/schema/properties_directory/structural/lattice.json +0 -148
  462. package/lib/js/schema/properties_directory/structural/magnetic_moments.json +0 -60
  463. package/lib/js/schema/properties_directory/structural/molecular_pattern.json +0 -111
  464. package/lib/js/schema/properties_directory/structural/p_norm.json +0 -24
  465. package/lib/js/schema/properties_directory/structural/patterns/functional_group.json +0 -36
  466. package/lib/js/schema/properties_directory/structural/patterns/ring.json +0 -35
  467. package/lib/js/schema/properties_directory/structural/patterns/special_bond.json +0 -33
  468. package/lib/js/schema/properties_directory/structural/symmetry.json +0 -40
  469. package/lib/js/schema/properties_directory/structural/volume.json +0 -24
  470. package/lib/js/schema/properties_directory/workflow/convergence/electronic.json +0 -32
  471. package/lib/js/schema/properties_directory/workflow/convergence/ionic.json +0 -62
  472. package/lib/js/schema/properties_directory/workflow/convergence/kpoint.json +0 -48
  473. package/lib/js/schema/property/base.json +0 -387
  474. package/lib/js/schema/property/meta.json +0 -387
  475. package/lib/js/schema/property/raw.json +0 -387
  476. package/lib/js/schema/property/source.json +0 -286
  477. package/lib/js/schema/software/application.json +0 -99
  478. package/lib/js/schema/software/executable.json +0 -208
  479. package/lib/js/schema/software/flavor.json +0 -228
  480. package/lib/js/schema/software/template.json +0 -103
  481. package/lib/js/schema/software_directory/ml/exabyteml.json +0 -23
  482. package/lib/js/schema/software_directory/ml/unit/execution/evaluate/cross_validate.json +0 -814
  483. package/lib/js/schema/software_directory/ml/unit/execution/initialize.json +0 -818
  484. package/lib/js/schema/software_directory/ml/unit/execution/score.json +0 -804
  485. package/lib/js/schema/software_directory/ml/unit/execution/train.json +0 -827
  486. package/lib/js/schema/software_directory/ml/unit/execution.json +0 -3264
  487. package/lib/js/schema/software_directory/ml/unit/processing/data_transformation/manipulation.json +0 -310
  488. package/lib/js/schema/software_directory/ml/unit/processing/data_transformation/scale_and_reduce.json +0 -330
  489. package/lib/js/schema/software_directory/ml/unit/processing/data_transformation.json +0 -334
  490. package/lib/js/schema/software_directory/ml/unit/processing/feature_selection/filter_based.json +0 -305
  491. package/lib/js/schema/software_directory/ml/unit/processing/feature_selection.json +0 -309
  492. package/lib/js/schema/software_directory/ml/unit/processing.json +0 -646
  493. package/lib/js/schema/software_directory/modeling/deepmd.json +0 -115
  494. package/lib/js/schema/software_directory/modeling/espresso/arguments.json +0 -44
  495. package/lib/js/schema/software_directory/modeling/espresso.json +0 -34
  496. package/lib/js/schema/software_directory/modeling/nwchem.json +0 -114
  497. package/lib/js/schema/software_directory/modeling/unit/execution.json +0 -847
  498. package/lib/js/schema/software_directory/modeling/vasp.json +0 -120
  499. package/lib/js/schema/software_directory/scripting/jupyter_lab.json +0 -118
  500. package/lib/js/schema/software_directory/scripting/python.json +0 -132
  501. package/lib/js/schema/software_directory/scripting/shell.json +0 -132
  502. package/lib/js/schema/software_directory/scripting/unit/execution.json +0 -847
  503. package/lib/js/schema/system/_material.json +0 -23
  504. package/lib/js/schema/system/_parent_job.json +0 -23
  505. package/lib/js/schema/system/_project.json +0 -23
  506. package/lib/js/schema/system/bankable.json +0 -16
  507. package/lib/js/schema/system/consistency_check.json +0 -39
  508. package/lib/js/schema/system/creator.json +0 -23
  509. package/lib/js/schema/system/creator_account.json +0 -27
  510. package/lib/js/schema/system/database_source.json +0 -45
  511. package/lib/js/schema/system/defaultable.json +0 -13
  512. package/lib/js/schema/system/description.json +0 -15
  513. package/lib/js/schema/system/entity_reference.json +0 -20
  514. package/lib/js/schema/system/file_source.json +0 -30
  515. package/lib/js/schema/system/history.json +0 -26
  516. package/lib/js/schema/system/iframe_message.json +0 -35
  517. package/lib/js/schema/system/in_set.json +0 -36
  518. package/lib/js/schema/system/is_multi_material.json +0 -11
  519. package/lib/js/schema/system/is_outdated.json +0 -11
  520. package/lib/js/schema/system/job_extended.json +0 -64
  521. package/lib/js/schema/system/message.json +0 -68
  522. package/lib/js/schema/system/metadata.json +0 -11
  523. package/lib/js/schema/system/name.json +0 -12
  524. package/lib/js/schema/system/owner.json +0 -23
  525. package/lib/js/schema/system/path.json +0 -14
  526. package/lib/js/schema/system/path_entity.json +0 -18
  527. package/lib/js/schema/system/schema_version.json +0 -13
  528. package/lib/js/schema/system/scope.json +0 -11
  529. package/lib/js/schema/system/set.json +0 -17
  530. package/lib/js/schema/system/sharing.json +0 -11
  531. package/lib/js/schema/system/soft_removable.json +0 -16
  532. package/lib/js/schema/system/status.json +0 -32
  533. package/lib/js/schema/system/tags.json +0 -15
  534. package/lib/js/schema/system/timestampable.json +0 -38
  535. package/lib/js/schema/system/use_values.json +0 -11
  536. package/lib/js/schema/workflow/base.json +0 -103
  537. package/lib/js/schema/workflow/base_flow.json +0 -220
  538. package/lib/js/schema/workflow/scope.json +0 -20
  539. package/lib/js/schema/workflow/subworkflow/unit.json +0 -2710
  540. package/lib/js/schema/workflow/subworkflow.json +0 -3086
  541. package/lib/js/schema/workflow/unit/assertion.json +0 -277
  542. package/lib/js/schema/workflow/unit/assignment.json +0 -314
  543. package/lib/js/schema/workflow/unit/base.json +0 -264
  544. package/lib/js/schema/workflow/unit/condition.json +0 -315
  545. package/lib/js/schema/workflow/unit/execution.json +0 -804
  546. package/lib/js/schema/workflow/unit/input/_input.json +0 -53
  547. package/lib/js/schema/workflow/unit/input/_inputItem.json +0 -20
  548. package/lib/js/schema/workflow/unit/input/_inputItemId.json +0 -19
  549. package/lib/js/schema/workflow/unit/input/_inputItemScope.json +0 -20
  550. package/lib/js/schema/workflow/unit/input/_map_input/values.json +0 -11
  551. package/lib/js/schema/workflow/unit/input/_map_input.json +0 -36
  552. package/lib/js/schema/workflow/unit/io/api.json +0 -25
  553. package/lib/js/schema/workflow/unit/io/db.json +0 -41
  554. package/lib/js/schema/workflow/unit/io/object_storage.json +0 -61
  555. package/lib/js/schema/workflow/unit/io.json +0 -415
  556. package/lib/js/schema/workflow/unit/map.json +0 -314
  557. package/lib/js/schema/workflow/unit/processing.json +0 -281
  558. package/lib/js/schema/workflow/unit/reduce.json +0 -297
  559. package/lib/js/schema/workflow/unit/runtime/_runtime_item_full_object.json +0 -15
  560. package/lib/js/schema/workflow/unit/runtime/_runtime_item_name_object.json +0 -15
  561. package/lib/js/schema/workflow/unit/runtime/_runtime_item_string.json +0 -7
  562. package/lib/js/schema/workflow/unit/runtime/runtime_item.json +0 -27
  563. package/lib/js/schema/workflow/unit/runtime/runtime_items.json +0 -128
  564. package/lib/js/schema/workflow/unit/subworkflow.json +0 -267
  565. package/lib/js/schema/workflow/unit.json +0 -3289
  566. package/lib/js/schema/workflow.json +0 -6488
  567. package/lib/js/schemas.json +0 -1
  568. package/modules.d.ts +0 -5
  569. /package/{lib → dist}/js/esse/JSONSchemasGenerator.d.ts +0 -0
  570. /package/{lib → dist}/js/esse/JSONSchemasGenerator.js +0 -0
  571. /package/{lib → dist}/js/esse/JSONSchemasInterface.d.ts +0 -0
  572. /package/{lib → dist}/js/esse/JSONSchemasInterface.js +0 -0
  573. /package/{lib → dist}/js/esse/JSONSchemasInterfaceServer.d.ts +0 -0
  574. /package/{lib → dist}/js/esse/JSONSchemasInterfaceServer.js +0 -0
  575. /package/{lib → dist}/js/esse/schemaUtils.d.ts +0 -0
  576. /package/{lib → dist}/js/esse/schemaUtils.js +0 -0
  577. /package/{lib → dist}/js/esse/settings.d.ts +0 -0
  578. /package/{lib → dist}/js/esse/settings.js +0 -0
  579. /package/{lib → dist}/js/esse/types.d.ts +0 -0
  580. /package/{lib → dist}/js/esse/types.js +0 -0
  581. /package/{lib → dist}/js/esse/utils.d.ts +0 -0
  582. /package/{lib → dist}/js/json_include/index.d.ts +0 -0
  583. /package/{lib → dist}/js/json_include/index.js +0 -0
  584. /package/{lib → dist}/js/json_include/settings.d.ts +0 -0
  585. /package/{lib → dist}/js/json_include/settings.js +0 -0
  586. /package/{lib → dist}/js/scripts/compileTs.d.ts +0 -0
  587. /package/{lib → dist}/js/scripts/compileTs.js +0 -0
  588. /package/{lib → dist}/js/scripts/createEnumsFromYaml.d.ts +0 -0
  589. /package/{lib → dist}/js/scripts/createEnumsFromYaml.js +0 -0
  590. /package/{lib → dist}/js/scripts/setSchemaIds.d.ts +0 -0
  591. /package/{lib → dist}/js/scripts/setSchemaIds.js +0 -0
  592. /package/{lib → dist}/js/utils/ajv.d.ts +0 -0
  593. /package/{lib → dist}/js/utils/common.d.ts +0 -0
  594. /package/{lib → dist}/js/utils/common.js +0 -0
  595. /package/{lib → dist}/js/utils/filesystem.d.ts +0 -0
  596. /package/{lib → dist}/js/utils/filesystem.js +0 -0
package/lib/js/schema/models_category/pb/qm/dft/ksdft/mgga.json DELETED
@@ -1,174 +0,0 @@
1
- {
2
- "$id": "models-category/pb/qm/dft/ksdft/mgga",
3
- "$schema": "http://json-schema.org/draft-07/schema#",
4
- "title": "DFT meta-GGA functional category schema",
5
- "type": "object",
6
- "description": "Used to categorize entities such as models and methods",
7
- "properties": {
8
- "subtype": {
9
- "enum": [
10
- "mgga"
11
- ],
12
- "$schema": "http://json-schema.org/draft-07/schema#",
13
- "title": "slugified entry or slug",
14
- "description": "contains either object with slugified entry or slug only as a string",
15
- "oneOf": [
16
- {
17
- "$schema": "http://json-schema.org/draft-07/schema#",
18
- "title": "slugified entry",
19
- "description": "container for machine- and human-readable identifier",
20
- "type": "object",
21
- "properties": {
22
- "name": {
23
- "description": "descriptive human-readable name of entry",
24
- "type": "string"
25
- },
26
- "slug": {
27
- "description": "machine-readable identifier",
28
- "type": "string"
29
- }
30
- },
31
- "required": [
32
- "name",
33
- "slug"
34
- ]
35
- },
36
- {
37
- "type": "string"
38
- }
39
- ]
40
- },
41
- "type": {
42
- "enum": [
43
- "ksdft"
44
- ],
45
- "$schema": "http://json-schema.org/draft-07/schema#",
46
- "title": "slugified entry or slug",
47
- "description": "contains either object with slugified entry or slug only as a string",
48
- "oneOf": [
49
- {
50
- "$schema": "http://json-schema.org/draft-07/schema#",
51
- "title": "slugified entry",
52
- "description": "container for machine- and human-readable identifier",
53
- "type": "object",
54
- "properties": {
55
- "name": {
56
- "description": "descriptive human-readable name of entry",
57
- "type": "string"
58
- },
59
- "slug": {
60
- "description": "machine-readable identifier",
61
- "type": "string"
62
- }
63
- },
64
- "required": [
65
- "name",
66
- "slug"
67
- ]
68
- },
69
- {
70
- "type": "string"
71
- }
72
- ]
73
- },
74
- "tier3": {
75
- "enum": [
76
- "dft"
77
- ],
78
- "$schema": "http://json-schema.org/draft-07/schema#",
79
- "title": "slugified entry or slug",
80
- "description": "contains either object with slugified entry or slug only as a string",
81
- "oneOf": [
82
- {
83
- "$schema": "http://json-schema.org/draft-07/schema#",
84
- "title": "slugified entry",
85
- "description": "container for machine- and human-readable identifier",
86
- "type": "object",
87
- "properties": {
88
- "name": {
89
- "description": "descriptive human-readable name of entry",
90
- "type": "string"
91
- },
92
- "slug": {
93
- "description": "machine-readable identifier",
94
- "type": "string"
95
- }
96
- },
97
- "required": [
98
- "name",
99
- "slug"
100
- ]
101
- },
102
- {
103
- "type": "string"
104
- }
105
- ]
106
- },
107
- "tier2": {
108
- "enum": [
109
- "qm"
110
- ],
111
- "$schema": "http://json-schema.org/draft-07/schema#",
112
- "title": "slugified entry or slug",
113
- "description": "contains either object with slugified entry or slug only as a string",
114
- "oneOf": [
115
- {
116
- "$schema": "http://json-schema.org/draft-07/schema#",
117
- "title": "slugified entry",
118
- "description": "container for machine- and human-readable identifier",
119
- "type": "object",
120
- "properties": {
121
- "name": {
122
- "description": "descriptive human-readable name of entry",
123
- "type": "string"
124
- },
125
- "slug": {
126
- "description": "machine-readable identifier",
127
- "type": "string"
128
- }
129
- },
130
- "required": [
131
- "name",
132
- "slug"
133
- ]
134
- },
135
- {
136
- "type": "string"
137
- }
138
- ]
139
- },
140
- "tier1": {
141
- "enum": [
142
- "pb"
143
- ],
144
- "$schema": "http://json-schema.org/draft-07/schema#",
145
- "title": "slugified entry or slug",
146
- "description": "contains either object with slugified entry or slug only as a string",
147
- "oneOf": [
148
- {
149
- "$schema": "http://json-schema.org/draft-07/schema#",
150
- "title": "slugified entry",
151
- "description": "container for machine- and human-readable identifier",
152
- "type": "object",
153
- "properties": {
154
- "name": {
155
- "description": "descriptive human-readable name of entry",
156
- "type": "string"
157
- },
158
- "slug": {
159
- "description": "machine-readable identifier",
160
- "type": "string"
161
- }
162
- },
163
- "required": [
164
- "name",
165
- "slug"
166
- ]
167
- },
168
- {
169
- "type": "string"
170
- }
171
- ]
172
- }
173
- }
174
- }
package/lib/js/schema/models_category/pb/qm/dft/ksdft.json DELETED
@@ -1,171 +0,0 @@
1
- {
2
- "$id": "models-category/pb/qm/dft/ksdft",
3
- "$schema": "http://json-schema.org/draft-07/schema#",
4
- "title": "Kohn-Sham DFT category schema",
5
- "type": "object",
6
- "description": "Used to categorize entities such as models and methods",
7
- "properties": {
8
- "type": {
9
- "enum": [
10
- "ksdft"
11
- ],
12
- "$schema": "http://json-schema.org/draft-07/schema#",
13
- "title": "slugified entry or slug",
14
- "description": "contains either object with slugified entry or slug only as a string",
15
- "oneOf": [
16
- {
17
- "$schema": "http://json-schema.org/draft-07/schema#",
18
- "title": "slugified entry",
19
- "description": "container for machine- and human-readable identifier",
20
- "type": "object",
21
- "properties": {
22
- "name": {
23
- "description": "descriptive human-readable name of entry",
24
- "type": "string"
25
- },
26
- "slug": {
27
- "description": "machine-readable identifier",
28
- "type": "string"
29
- }
30
- },
31
- "required": [
32
- "name",
33
- "slug"
34
- ]
35
- },
36
- {
37
- "type": "string"
38
- }
39
- ]
40
- },
41
- "tier3": {
42
- "enum": [
43
- "dft"
44
- ],
45
- "$schema": "http://json-schema.org/draft-07/schema#",
46
- "title": "slugified entry or slug",
47
- "description": "contains either object with slugified entry or slug only as a string",
48
- "oneOf": [
49
- {
50
- "$schema": "http://json-schema.org/draft-07/schema#",
51
- "title": "slugified entry",
52
- "description": "container for machine- and human-readable identifier",
53
- "type": "object",
54
- "properties": {
55
- "name": {
56
- "description": "descriptive human-readable name of entry",
57
- "type": "string"
58
- },
59
- "slug": {
60
- "description": "machine-readable identifier",
61
- "type": "string"
62
- }
63
- },
64
- "required": [
65
- "name",
66
- "slug"
67
- ]
68
- },
69
- {
70
- "type": "string"
71
- }
72
- ]
73
- },
74
- "tier2": {
75
- "enum": [
76
- "qm"
77
- ],
78
- "$schema": "http://json-schema.org/draft-07/schema#",
79
- "title": "slugified entry or slug",
80
- "description": "contains either object with slugified entry or slug only as a string",
81
- "oneOf": [
82
- {
83
- "$schema": "http://json-schema.org/draft-07/schema#",
84
- "title": "slugified entry",
85
- "description": "container for machine- and human-readable identifier",
86
- "type": "object",
87
- "properties": {
88
- "name": {
89
- "description": "descriptive human-readable name of entry",
90
- "type": "string"
91
- },
92
- "slug": {
93
- "description": "machine-readable identifier",
94
- "type": "string"
95
- }
96
- },
97
- "required": [
98
- "name",
99
- "slug"
100
- ]
101
- },
102
- {
103
- "type": "string"
104
- }
105
- ]
106
- },
107
- "tier1": {
108
- "enum": [
109
- "pb"
110
- ],
111
- "$schema": "http://json-schema.org/draft-07/schema#",
112
- "title": "slugified entry or slug",
113
- "description": "contains either object with slugified entry or slug only as a string",
114
- "oneOf": [
115
- {
116
- "$schema": "http://json-schema.org/draft-07/schema#",
117
- "title": "slugified entry",
118
- "description": "container for machine- and human-readable identifier",
119
- "type": "object",
120
- "properties": {
121
- "name": {
122
- "description": "descriptive human-readable name of entry",
123
- "type": "string"
124
- },
125
- "slug": {
126
- "description": "machine-readable identifier",
127
- "type": "string"
128
- }
129
- },
130
- "required": [
131
- "name",
132
- "slug"
133
- ]
134
- },
135
- {
136
- "type": "string"
137
- }
138
- ]
139
- },
140
- "subtype": {
141
- "$schema": "http://json-schema.org/draft-07/schema#",
142
- "title": "slugified entry or slug",
143
- "description": "contains either object with slugified entry or slug only as a string",
144
- "oneOf": [
145
- {
146
- "$schema": "http://json-schema.org/draft-07/schema#",
147
- "title": "slugified entry",
148
- "description": "container for machine- and human-readable identifier",
149
- "type": "object",
150
- "properties": {
151
- "name": {
152
- "description": "descriptive human-readable name of entry",
153
- "type": "string"
154
- },
155
- "slug": {
156
- "description": "machine-readable identifier",
157
- "type": "string"
158
- }
159
- },
160
- "required": [
161
- "name",
162
- "slug"
163
- ]
164
- },
165
- {
166
- "type": "string"
167
- }
168
- ]
169
- }
170
- }
171
- }
package/lib/js/schema/models_category/pb/qm/dft.json DELETED
@@ -1,168 +0,0 @@
1
- {
2
- "$id": "models-category/pb/qm/dft",
3
- "$schema": "http://json-schema.org/draft-07/schema#",
4
- "title": "Density functional theory category schema",
5
- "type": "object",
6
- "description": "Used to categorize entities such as models and methods",
7
- "properties": {
8
- "tier3": {
9
- "enum": [
10
- "dft"
11
- ],
12
- "$schema": "http://json-schema.org/draft-07/schema#",
13
- "title": "slugified entry or slug",
14
- "description": "contains either object with slugified entry or slug only as a string",
15
- "oneOf": [
16
- {
17
- "$schema": "http://json-schema.org/draft-07/schema#",
18
- "title": "slugified entry",
19
- "description": "container for machine- and human-readable identifier",
20
- "type": "object",
21
- "properties": {
22
- "name": {
23
- "description": "descriptive human-readable name of entry",
24
- "type": "string"
25
- },
26
- "slug": {
27
- "description": "machine-readable identifier",
28
- "type": "string"
29
- }
30
- },
31
- "required": [
32
- "name",
33
- "slug"
34
- ]
35
- },
36
- {
37
- "type": "string"
38
- }
39
- ]
40
- },
41
- "tier2": {
42
- "enum": [
43
- "qm"
44
- ],
45
- "$schema": "http://json-schema.org/draft-07/schema#",
46
- "title": "slugified entry or slug",
47
- "description": "contains either object with slugified entry or slug only as a string",
48
- "oneOf": [
49
- {
50
- "$schema": "http://json-schema.org/draft-07/schema#",
51
- "title": "slugified entry",
52
- "description": "container for machine- and human-readable identifier",
53
- "type": "object",
54
- "properties": {
55
- "name": {
56
- "description": "descriptive human-readable name of entry",
57
- "type": "string"
58
- },
59
- "slug": {
60
- "description": "machine-readable identifier",
61
- "type": "string"
62
- }
63
- },
64
- "required": [
65
- "name",
66
- "slug"
67
- ]
68
- },
69
- {
70
- "type": "string"
71
- }
72
- ]
73
- },
74
- "tier1": {
75
- "enum": [
76
- "pb"
77
- ],
78
- "$schema": "http://json-schema.org/draft-07/schema#",
79
- "title": "slugified entry or slug",
80
- "description": "contains either object with slugified entry or slug only as a string",
81
- "oneOf": [
82
- {
83
- "$schema": "http://json-schema.org/draft-07/schema#",
84
- "title": "slugified entry",
85
- "description": "container for machine- and human-readable identifier",
86
- "type": "object",
87
- "properties": {
88
- "name": {
89
- "description": "descriptive human-readable name of entry",
90
- "type": "string"
91
- },
92
- "slug": {
93
- "description": "machine-readable identifier",
94
- "type": "string"
95
- }
96
- },
97
- "required": [
98
- "name",
99
- "slug"
100
- ]
101
- },
102
- {
103
- "type": "string"
104
- }
105
- ]
106
- },
107
- "type": {
108
- "$schema": "http://json-schema.org/draft-07/schema#",
109
- "title": "slugified entry or slug",
110
- "description": "contains either object with slugified entry or slug only as a string",
111
- "oneOf": [
112
- {
113
- "$schema": "http://json-schema.org/draft-07/schema#",
114
- "title": "slugified entry",
115
- "description": "container for machine- and human-readable identifier",
116
- "type": "object",
117
- "properties": {
118
- "name": {
119
- "description": "descriptive human-readable name of entry",
120
- "type": "string"
121
- },
122
- "slug": {
123
- "description": "machine-readable identifier",
124
- "type": "string"
125
- }
126
- },
127
- "required": [
128
- "name",
129
- "slug"
130
- ]
131
- },
132
- {
133
- "type": "string"
134
- }
135
- ]
136
- },
137
- "subtype": {
138
- "$schema": "http://json-schema.org/draft-07/schema#",
139
- "title": "slugified entry or slug",
140
- "description": "contains either object with slugified entry or slug only as a string",
141
- "oneOf": [
142
- {
143
- "$schema": "http://json-schema.org/draft-07/schema#",
144
- "title": "slugified entry",
145
- "description": "container for machine- and human-readable identifier",
146
- "type": "object",
147
- "properties": {
148
- "name": {
149
- "description": "descriptive human-readable name of entry",
150
- "type": "string"
151
- },
152
- "slug": {
153
- "description": "machine-readable identifier",
154
- "type": "string"
155
- }
156
- },
157
- "required": [
158
- "name",
159
- "slug"
160
- ]
161
- },
162
- {
163
- "type": "string"
164
- }
165
- ]
166
- }
167
- }
168
- }
package/lib/js/schema/models_category/pb/qm/enum_options.json DELETED
@@ -1,18 +0,0 @@
1
- {
2
- "$id": "models-category/pb/qm/enum-options",
3
- "abInitio": {
4
- "enum": [
5
- "abin"
6
- ]
7
- },
8
- "densityFunctional": {
9
- "enum": [
10
- "dft"
11
- ]
12
- },
13
- "semiEmpirical": {
14
- "enum": [
15
- "semp"
16
- ]
17
- }
18
- }