quant-met 0.0.27__tar.gz → 0.1.0__tar.gz

This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
Files changed (217) hide show
  1. {quant_met-0.0.27 → quant_met-0.1.0}/.coveragerc +0 -5
  2. {quant_met-0.0.27/.github/workflows → quant_met-0.1.0/.github}/codspeed.yml +2 -5
  3. {quant_met-0.0.27 → quant_met-0.1.0}/.github/dependabot.yml +1 -4
  4. {quant_met-0.0.27 → quant_met-0.1.0}/.github/workflows/check_version.yml +1 -4
  5. {quant_met-0.0.27 → quant_met-0.1.0}/.github/workflows/integration_tests.yml +2 -5
  6. {quant_met-0.0.27 → quant_met-0.1.0}/.github/workflows/linting.yml +2 -5
  7. {quant_met-0.0.27 → quant_met-0.1.0}/.github/workflows/publish.yml +2 -5
  8. {quant_met-0.0.27 → quant_met-0.1.0}/.github/workflows/typing.yml +2 -5
  9. {quant_met-0.0.27 → quant_met-0.1.0}/.github/workflows/unit_tests.yml +2 -5
  10. {quant_met-0.0.27 → quant_met-0.1.0}/.gitignore +0 -5
  11. quant_met-0.1.0/.pre-commit-config.yaml +15 -0
  12. {quant_met-0.0.27 → quant_met-0.1.0}/.readthedocs.yaml +1 -4
  13. quant_met-0.1.0/.vscode/settings.json +8 -0
  14. {quant_met-0.0.27 → quant_met-0.1.0}/CHANGELOG.rst +16 -4
  15. {quant_met-0.0.27 → quant_met-0.1.0}/Makefile +1 -4
  16. {quant_met-0.0.27 → quant_met-0.1.0}/PKG-INFO +5 -11
  17. {quant_met-0.0.27 → quant_met-0.1.0}/README.md +0 -7
  18. quant_met-0.1.0/changelog.d/scriv.ini +2 -0
  19. {quant_met-0.0.27 → quant_met-0.1.0}/check_version.sh +1 -4
  20. {quant_met-0.0.27 → quant_met-0.1.0}/docs/Makefile +1 -4
  21. {quant_met-0.0.27 → quant_met-0.1.0}/docs/make.bat +0 -5
  22. {quant_met-0.0.27 → quant_met-0.1.0}/docs/requirements.txt +0 -4
  23. {quant_met-0.0.27 → quant_met-0.1.0}/docs/source/_static/custom.css +0 -7
  24. {quant_met-0.0.27 → quant_met-0.1.0}/docs/source/_templates/autosummary/attribute.rst +1 -4
  25. quant_met-0.1.0/docs/source/_templates/autosummary/class.rst +43 -0
  26. {quant_met-0.0.27 → quant_met-0.1.0}/docs/source/_templates/autosummary/function.rst +1 -4
  27. {quant_met-0.0.27 → quant_met-0.1.0}/docs/source/_templates/autosummary/method.rst +1 -4
  28. {quant_met-0.0.27 → quant_met-0.1.0}/docs/source/_templates/autosummary/module.rst +1 -4
  29. {quant_met-0.0.27 → quant_met-0.1.0}/docs/source/_templates/autosummary/property.rst +1 -4
  30. quant_met-0.1.0/docs/source/changelog.rst +6 -0
  31. {quant_met-0.0.27 → quant_met-0.1.0}/docs/source/conf.py +3 -5
  32. {quant_met-0.0.27 → quant_met-0.1.0}/docs/source/development.rst +7 -17
  33. quant_met-0.1.0/docs/source/examples/dec-graphene.HSX +0 -0
  34. quant_met-0.1.0/docs/source/examples/decorated_graphene_nonint.ipynb +198 -0
  35. quant_met-0.1.0/docs/source/examples/decorated_graphene_scf.ipynb +202 -0
  36. quant_met-0.1.0/docs/source/examples/decorated_graphene_sisl.ipynb +185 -0
  37. quant_met-0.1.0/docs/source/examples/example-crit-temp.yaml +12 -0
  38. quant_met-0.1.0/docs/source/examples/example-q-analysis-dec-graphene.yaml +9 -0
  39. quant_met-0.1.0/docs/source/examples/example-q-loop-dec-graphene.yaml +21 -0
  40. quant_met-0.1.0/docs/source/examples/example-q-loop-from-scratch.yaml +21 -0
  41. quant_met-0.1.0/docs/source/examples/example-q-loop.yaml +13 -0
  42. quant_met-0.1.0/docs/source/examples/example-scf.yaml +14 -0
  43. quant_met-0.1.0/docs/source/examples/hamiltonian.HSX +0 -0
  44. quant_met-0.1.0/docs/source/examples/test_sisl.ipynb +140 -0
  45. quant_met-0.1.0/docs/source/extra/versions.json +12 -0
  46. {quant_met-0.0.27 → quant_met-0.1.0}/docs/source/index.rst +1 -4
  47. quant_met-0.1.0/docs/source/reference/bdg.rst +5 -0
  48. quant_met-0.1.0/docs/source/reference/cli.rst +5 -0
  49. quant_met-0.1.0/docs/source/reference/generated/parameters/quant_met.parameters.Control.rst +6 -0
  50. quant_met-0.1.0/docs/source/reference/generated/parameters/quant_met.parameters.KPoints.rst +6 -0
  51. quant_met-0.1.0/docs/source/reference/generated/parameters/quant_met.parameters.Parameters.rst +6 -0
  52. quant_met-0.1.0/docs/source/reference/generated/quant_met.bdg.bdg_hamiltonian.rst +13 -0
  53. quant_met-0.1.0/docs/source/reference/generated/quant_met.bdg.calculate_current_density.rst +13 -0
  54. quant_met-0.1.0/docs/source/reference/generated/quant_met.bdg.calculate_superfluid_weight.rst +13 -0
  55. quant_met-0.1.0/docs/source/reference/generated/quant_met.bdg.diagonalize_bdg.rst +13 -0
  56. quant_met-0.1.0/docs/source/reference/generated/quant_met.bdg.gap_equation.rst +13 -0
  57. quant_met-0.1.0/docs/source/reference/generated/quant_met.quantum_geometry.calculate_qgt.rst +13 -0
  58. quant_met-0.1.0/docs/source/reference/generated/quant_met.routines.self_consistency_loop.rst +13 -0
  59. quant_met-0.1.0/docs/source/reference/index.rst +31 -0
  60. quant_met-0.1.0/docs/source/reference/parameters.rst +5 -0
  61. quant_met-0.1.0/docs/source/reference/quantum_geometry.rst +5 -0
  62. quant_met-0.1.0/docs/source/reference/routines.rst +5 -0
  63. quant_met-0.1.0/docs/source/user_guide/first-scf.rst +4 -0
  64. quant_met-0.1.0/docs/source/user_guide/search_T_C.rst +4 -0
  65. quant_met-0.1.0/docs/source/user_guide.rst +15 -0
  66. quant_met-0.1.0/justfile +31 -0
  67. {quant_met-0.0.27 → quant_met-0.1.0}/pyproject.toml +14 -24
  68. quant_met-0.1.0/src/quant_met/__init__.py +5 -0
  69. quant_met-0.1.0/src/quant_met/bdg/__init__.py +26 -0
  70. quant_met-0.1.0/src/quant_met/bdg/bdg_hamiltonian.py +97 -0
  71. quant_met-0.1.0/src/quant_met/bdg/gap_equation.py +127 -0
  72. quant_met-0.1.0/src/quant_met/bdg/sc_current.py +60 -0
  73. quant_met-0.1.0/src/quant_met/bdg/superfluid_weight.py +110 -0
  74. {quant_met-0.0.27 → quant_met-0.1.0}/src/quant_met/cli/__init__.py +0 -5
  75. {quant_met-0.0.27 → quant_met-0.1.0}/src/quant_met/cli/crit_temp.py +18 -16
  76. {quant_met-0.0.27 → quant_met-0.1.0}/src/quant_met/cli/main.py +8 -5
  77. quant_met-0.1.0/src/quant_met/cli/q_analysis.py +60 -0
  78. quant_met-0.1.0/src/quant_met/cli/q_loop.py +91 -0
  79. quant_met-0.1.0/src/quant_met/cli/scf.py +92 -0
  80. quant_met-0.1.0/src/quant_met/parameters/__init__.py +24 -0
  81. quant_met-0.1.0/src/quant_met/parameters/control.py +57 -0
  82. quant_met-0.1.0/src/quant_met/parameters/main.py +38 -0
  83. quant_met-0.1.0/src/quant_met/quantum_geometry/__init__.py +13 -0
  84. quant_met-0.1.0/src/quant_met/quantum_geometry/qgt.py +37 -0
  85. quant_met-0.1.0/src/quant_met/routines/__init__.py +22 -0
  86. quant_met-0.1.0/src/quant_met/routines/analyse_q_data.py +226 -0
  87. quant_met-0.1.0/src/quant_met/routines/loop_over_q.py +154 -0
  88. {quant_met-0.0.27/src/quant_met/mean_field → quant_met-0.1.0/src/quant_met/routines}/search_crit_temp.py +71 -48
  89. {quant_met-0.0.27/src/quant_met/mean_field → quant_met-0.1.0/src/quant_met/routines}/self_consistency.py +32 -28
  90. {quant_met-0.0.27 → quant_met-0.1.0}/src/quant_met/utils.py +1 -6
  91. quant_met-0.1.0/tests/conftest.py +31 -0
  92. quant_met-0.1.0/tests/test_bdg.py +18 -0
  93. quant_met-0.1.0/tests/test_scf.py +16 -0
  94. {quant_met-0.0.27 → quant_met-0.1.0}/uv.lock +594 -22
  95. quant_met-0.0.27/.pre-commit-config.yaml +0 -29
  96. quant_met-0.0.27/LICENSES/MIT.txt +0 -9
  97. quant_met-0.0.27/changelog.d/scriv.ini +0 -7
  98. quant_met-0.0.27/docs/source/_templates/autosummary/class.rst +0 -19
  99. quant_met-0.0.27/docs/source/_templates/autosummary/pydantic.rst +0 -21
  100. quant_met-0.0.27/docs/source/changelog.rst +0 -9
  101. quant_met-0.0.27/docs/source/example_input_T_C.yaml +0 -24
  102. quant_met-0.0.27/docs/source/example_input_T_C_one_band.yaml +0 -22
  103. quant_met-0.0.27/docs/source/example_input_dmft.yaml +0 -33
  104. quant_met-0.0.27/docs/source/example_input_scf.yaml +0 -27
  105. quant_met-0.0.27/docs/source/examples/EG-X bands.pdf +0 -0
  106. quant_met-0.0.27/docs/source/examples/band_structures.ipynb +0 -165
  107. quant_met-0.0.27/docs/source/extra/versions.json +0 -22
  108. quant_met-0.0.27/docs/source/reference/cli.rst +0 -8
  109. quant_met-0.0.27/docs/source/reference/generated/hamiltonians/quant_met.mean_field.hamiltonians.BaseHamiltonian.rst +0 -19
  110. quant_met-0.0.27/docs/source/reference/generated/hamiltonians/quant_met.mean_field.hamiltonians.DressedGraphene.rst +0 -19
  111. quant_met-0.0.27/docs/source/reference/generated/hamiltonians/quant_met.mean_field.hamiltonians.Graphene.rst +0 -19
  112. quant_met-0.0.27/docs/source/reference/generated/hamiltonians/quant_met.mean_field.hamiltonians.OneBand.rst +0 -19
  113. quant_met-0.0.27/docs/source/reference/generated/hamiltonians/quant_met.mean_field.hamiltonians.ThreeBand.rst +0 -19
  114. quant_met-0.0.27/docs/source/reference/generated/hamiltonians/quant_met.mean_field.hamiltonians.TwoBand.rst +0 -19
  115. quant_met-0.0.27/docs/source/reference/generated/parameters/hamiltonians/quant_met.parameters.hamiltonians.DressedGrapheneParameters.rst +0 -21
  116. quant_met-0.0.27/docs/source/reference/generated/parameters/hamiltonians/quant_met.parameters.hamiltonians.GrapheneParameters.rst +0 -21
  117. quant_met-0.0.27/docs/source/reference/generated/parameters/hamiltonians/quant_met.parameters.hamiltonians.HamiltonianParameters.rst +0 -21
  118. quant_met-0.0.27/docs/source/reference/generated/parameters/hamiltonians/quant_met.parameters.hamiltonians.OneBandParameters.rst +0 -21
  119. quant_met-0.0.27/docs/source/reference/generated/parameters/hamiltonians/quant_met.parameters.hamiltonians.ThreeBandParameters.rst +0 -21
  120. quant_met-0.0.27/docs/source/reference/generated/parameters/hamiltonians/quant_met.parameters.hamiltonians.TwoBandParameters.rst +0 -21
  121. quant_met-0.0.27/docs/source/reference/generated/parameters/hamiltonians/quant_met.parameters.hamiltonians.rst +0 -15
  122. quant_met-0.0.27/docs/source/reference/generated/parameters/quant_met.parameters.Control.rst +0 -21
  123. quant_met-0.0.27/docs/source/reference/generated/parameters/quant_met.parameters.KPoints.rst +0 -21
  124. quant_met-0.0.27/docs/source/reference/generated/parameters/quant_met.parameters.Parameters.rst +0 -21
  125. quant_met-0.0.27/docs/source/reference/generated/quant_met.geometry.BaseLattice.rst +0 -19
  126. quant_met-0.0.27/docs/source/reference/generated/quant_met.geometry.GrapheneLattice.rst +0 -19
  127. quant_met-0.0.27/docs/source/reference/generated/quant_met.geometry.SquareLattice.rst +0 -19
  128. quant_met-0.0.27/docs/source/reference/generated/quant_met.geometry.generate_bz_path.rst +0 -16
  129. quant_met-0.0.27/docs/source/reference/generated/quant_met.mean_field.hamiltonians.rst +0 -15
  130. quant_met-0.0.27/docs/source/reference/generated/quant_met.mean_field.search_crit_temp.rst +0 -16
  131. quant_met-0.0.27/docs/source/reference/generated/quant_met.mean_field.self_consistency_loop.rst +0 -16
  132. quant_met-0.0.27/docs/source/reference/generated/quant_met.plotting.format_plot.rst +0 -16
  133. quant_met-0.0.27/docs/source/reference/generated/quant_met.plotting.plot_bandstructure.rst +0 -16
  134. quant_met-0.0.27/docs/source/reference/generated/quant_met.plotting.plot_superfluid_weight.rst +0 -16
  135. quant_met-0.0.27/docs/source/reference/generated/quant_met.plotting.scatter_into_bz.rst +0 -16
  136. quant_met-0.0.27/docs/source/reference/generated/quant_met.utils.generate_uniform_grid.rst +0 -16
  137. quant_met-0.0.27/docs/source/reference/geometry.rst +0 -8
  138. quant_met-0.0.27/docs/source/reference/index.rst +0 -30
  139. quant_met-0.0.27/docs/source/reference/mean_field.rst +0 -8
  140. quant_met-0.0.27/docs/source/reference/parameters.rst +0 -8
  141. quant_met-0.0.27/docs/source/reference/plotting.rst +0 -8
  142. quant_met-0.0.27/docs/source/reference/utils.rst +0 -8
  143. quant_met-0.0.27/docs/source/user_guide/first-scf.rst +0 -7
  144. quant_met-0.0.27/docs/source/user_guide/search_T_C.rst +0 -7
  145. quant_met-0.0.27/docs/source/user_guide.rst +0 -20
  146. quant_met-0.0.27/justfile +0 -13
  147. quant_met-0.0.27/src/quant_met/__init__.py +0 -10
  148. quant_met-0.0.27/src/quant_met/cli/_utils.py +0 -32
  149. quant_met-0.0.27/src/quant_met/cli/scf.py +0 -71
  150. quant_met-0.0.27/src/quant_met/geometry/__init__.py +0 -36
  151. quant_met-0.0.27/src/quant_met/geometry/base_lattice.py +0 -100
  152. quant_met-0.0.27/src/quant_met/geometry/bz_path.py +0 -90
  153. quant_met-0.0.27/src/quant_met/geometry/graphene.py +0 -48
  154. quant_met-0.0.27/src/quant_met/geometry/square.py +0 -47
  155. quant_met-0.0.27/src/quant_met/mean_field/__init__.py +0 -38
  156. quant_met-0.0.27/src/quant_met/mean_field/_utils.py +0 -17
  157. quant_met-0.0.27/src/quant_met/mean_field/hamiltonians/__init__.py +0 -34
  158. quant_met-0.0.27/src/quant_met/mean_field/hamiltonians/base_hamiltonian.py +0 -793
  159. quant_met-0.0.27/src/quant_met/mean_field/hamiltonians/dressed_graphene.py +0 -118
  160. quant_met-0.0.27/src/quant_met/mean_field/hamiltonians/graphene.py +0 -95
  161. quant_met-0.0.27/src/quant_met/mean_field/hamiltonians/one_band_tight_binding.py +0 -70
  162. quant_met-0.0.27/src/quant_met/mean_field/hamiltonians/three_band_tight_binding.py +0 -85
  163. quant_met-0.0.27/src/quant_met/mean_field/hamiltonians/two_band_tight_binding.py +0 -76
  164. quant_met-0.0.27/src/quant_met/parameters/__init__.py +0 -50
  165. quant_met-0.0.27/src/quant_met/parameters/hamiltonians.py +0 -182
  166. quant_met-0.0.27/src/quant_met/parameters/main.py +0 -91
  167. quant_met-0.0.27/src/quant_met/plotting/__init__.py +0 -31
  168. quant_met-0.0.27/src/quant_met/plotting/plotting.py +0 -215
  169. quant_met-0.0.27/tests/__init__.py +0 -6
  170. quant_met-0.0.27/tests/baseline_images/test_plotting/nonint_bandstructure_dressed_graphene.png +0 -0
  171. quant_met-0.0.27/tests/baseline_images/test_plotting/nonint_bandstructure_graphene.png +0 -0
  172. quant_met-0.0.27/tests/baseline_images/test_plotting/nonint_bandstructure_one_band.png +0 -0
  173. quant_met-0.0.27/tests/baseline_images/test_plotting/scatter_into_bz.png +0 -0
  174. quant_met-0.0.27/tests/baseline_images/test_plotting/scatter_into_bz_with_data.png +0 -0
  175. quant_met-0.0.27/tests/baseline_images/test_plotting/sf_weight.png +0 -0
  176. quant_met-0.0.27/tests/test_benchmarks.py +0 -141
  177. quant_met-0.0.27/tests/test_cli.py +0 -135
  178. quant_met-0.0.27/tests/test_geometry.py +0 -41
  179. quant_met-0.0.27/tests/test_hamiltonians/__init__.py +0 -6
  180. quant_met-0.0.27/tests/test_hamiltonians/test_fixed_values.py +0 -127
  181. quant_met-0.0.27/tests/test_hamiltonians/test_invalid_values.py +0 -94
  182. quant_met-0.0.27/tests/test_hamiltonians/test_random_samples.py +0 -163
  183. quant_met-0.0.27/tests/test_hamiltonians/test_regressions/test_bdg_hamiltonian_derivative_graphene.npz +0 -0
  184. quant_met-0.0.27/tests/test_hamiltonians/test_regressions/test_bdg_hamiltonian_derivative_graphene.npz.license +0 -4
  185. quant_met-0.0.27/tests/test_hamiltonians/test_regressions/test_current.npz +0 -0
  186. quant_met-0.0.27/tests/test_hamiltonians/test_regressions/test_current.npz.license +0 -4
  187. quant_met-0.0.27/tests/test_hamiltonians/test_regressions/test_density_of_states.npz +0 -0
  188. quant_met-0.0.27/tests/test_hamiltonians/test_regressions/test_density_of_states.npz.license +0 -4
  189. quant_met-0.0.27/tests/test_hamiltonians/test_regressions/test_free_energy.npz +0 -0
  190. quant_met-0.0.27/tests/test_hamiltonians/test_regressions/test_free_energy.npz.license +0 -4
  191. quant_met-0.0.27/tests/test_hamiltonians/test_regressions/test_hamiltonian_derivative_graphene.npz +0 -0
  192. quant_met-0.0.27/tests/test_hamiltonians/test_regressions/test_hamiltonian_derivative_graphene.npz.license +0 -4
  193. quant_met-0.0.27/tests/test_hamiltonians/test_regressions/test_hamiltonian_derivative_one_band.npz +0 -0
  194. quant_met-0.0.27/tests/test_hamiltonians/test_regressions/test_hamiltonian_derivative_one_band.npz.license +0 -4
  195. quant_met-0.0.27/tests/test_hamiltonians/test_regressions/test_hamiltonian_three_band.npz +0 -0
  196. quant_met-0.0.27/tests/test_hamiltonians/test_regressions/test_hamiltonian_three_band.npz.license +0 -4
  197. quant_met-0.0.27/tests/test_hamiltonians/test_regressions/test_hamiltonian_two_band.npz +0 -0
  198. quant_met-0.0.27/tests/test_hamiltonians/test_regressions/test_hamiltonian_two_band.npz.license +0 -4
  199. quant_met-0.0.27/tests/test_hamiltonians/test_regressions/test_spectral_gap.npz +0 -0
  200. quant_met-0.0.27/tests/test_hamiltonians/test_regressions/test_spectral_gap.npz.license +0 -4
  201. quant_met-0.0.27/tests/test_hamiltonians/test_regressions.py +0 -305
  202. quant_met-0.0.27/tests/test_hamiltonians/test_save.py +0 -214
  203. quant_met-0.0.27/tests/test_integration/__init__.py +0 -6
  204. quant_met-0.0.27/tests/test_integration/test_crit_temp.py +0 -70
  205. quant_met-0.0.27/tests/test_integration/test_scf.py +0 -44
  206. quant_met-0.0.27/tests/test_plotting.py +0 -288
  207. quant_met-0.0.27/tests/test_quantum_metric/test_quantum_metric_dressed_graphene.npz +0 -0
  208. quant_met-0.0.27/tests/test_quantum_metric/test_quantum_metric_graphene.npz +0 -0
  209. quant_met-0.0.27/tests/test_quantum_metric.py +0 -77
  210. quant_met-0.0.27/tests/test_self_consistency.py +0 -63
  211. quant_met-0.0.27/tests/test_superfluid_weight/test_superfluid_weight_dressed_graphene.npz +0 -0
  212. quant_met-0.0.27/tests/test_superfluid_weight/test_superfluid_weight_graphene.npz +0 -0
  213. quant_met-0.0.27/tests/test_superfluid_weight.py +0 -73
  214. quant_met-0.0.27/tests/test_utils.py +0 -83
  215. quant_met-0.0.27/uv.lock.license +0 -4
  216. {quant_met-0.0.27 → quant_met-0.1.0}/LICENSE.txt +0 -0
  217. {quant_met-0.0.27 → quant_met-0.1.0}/docs/source/reference/generated/quant_met.cli.cli.rst +0 -0
{quant_met-0.0.27 → quant_met-0.1.0}/.coveragerc RENAMED
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- # SPDX-FileCopyrightText: 2024 Tjark Sievers
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- # SPDX-FileCopyrightText: 2025 Tjark Sievers
3
- #
4
- # SPDX-License-Identifier: MIT
1
+
5
2
 
6
3
  name: Codspeed
7
4
 
@@ -27,7 +24,7 @@ jobs:
27
24
  fetch-depth: 0
28
25
  - uses: actions/checkout@v4
29
26
  - name: Install uv
30
- uses: astral-sh/setup-uv@v5
27
+ uses: astral-sh/setup-uv@v6
31
28
  - name: Install the project
32
29
  run: uv sync --group=test
33
30
  - uses: extractions/setup-just@v3
{quant_met-0.0.27 → quant_met-0.1.0}/.github/dependabot.yml RENAMED
@@ -1,7 +1,4 @@
1
- # SPDX-FileCopyrightText: 2024 Tjark Sievers
2
- # SPDX-FileCopyrightText: 2025 Tjark Sievers
3
- #
4
- # SPDX-License-Identifier: MIT
1
+
5
2
 
6
3
  # Set update schedule for GitHub Actions
7
4
  version: 2
{quant_met-0.0.27 → quant_met-0.1.0}/.github/workflows/check_version.yml RENAMED
@@ -1,7 +1,4 @@
1
- # SPDX-FileCopyrightText: 2024 Tjark Sievers
2
- # SPDX-FileCopyrightText: 2025 Tjark Sievers
3
- #
4
- # SPDX-License-Identifier: MIT
1
+
5
2
 
6
3
  name: Check version
7
4
 
{quant_met-0.0.27 → quant_met-0.1.0}/.github/workflows/integration_tests.yml RENAMED
@@ -1,7 +1,4 @@
1
- # SPDX-FileCopyrightText: 2024 Tjark Sievers
2
- # SPDX-FileCopyrightText: 2025 Tjark Sievers
3
- #
4
- # SPDX-License-Identifier: MIT
1
+
5
2
 
6
3
  name: Integration tests
7
4
 
@@ -29,7 +26,7 @@ jobs:
29
26
  fetch-depth: 0
30
27
  - uses: actions/checkout@v4
31
28
  - name: Install uv
32
- uses: astral-sh/setup-uv@v5
29
+ uses: astral-sh/setup-uv@v6
33
30
  - name: Install the project
34
31
  run: uv sync --group=test
35
32
  - uses: extractions/setup-just@v3
{quant_met-0.0.27 → quant_met-0.1.0}/.github/workflows/linting.yml RENAMED
@@ -1,7 +1,4 @@
1
- # SPDX-FileCopyrightText: 2024 Tjark Sievers
2
- # SPDX-FileCopyrightText: 2025 Tjark Sievers
3
- #
4
- # SPDX-License-Identifier: MIT
1
+
5
2
 
6
3
  name: Linting
7
4
 
@@ -28,7 +25,7 @@ jobs:
28
25
  with:
29
26
  python-version: "3.12"
30
27
  - name: Install uv
31
- uses: astral-sh/setup-uv@v5
28
+ uses: astral-sh/setup-uv@v6
32
29
  - name: Install the project
33
30
  run: uv sync --group=lint
34
31
  - uses: extractions/setup-just@v3
{quant_met-0.0.27 → quant_met-0.1.0}/.github/workflows/publish.yml RENAMED
@@ -1,7 +1,4 @@
1
- # SPDX-FileCopyrightText: 2024 Tjark Sievers
2
- # SPDX-FileCopyrightText: 2025 Tjark Sievers
3
- #
4
- # SPDX-License-Identifier: MIT
1
+
5
2
 
6
3
  name: Publish python package
7
4
 
@@ -24,6 +21,6 @@ jobs:
24
21
  steps:
25
22
  - uses: actions/checkout@v4
26
23
  - name: Install uv
27
- uses: astral-sh/setup-uv@v5
24
+ uses: astral-sh/setup-uv@v6
28
25
  - name: Build and publish to pypi
29
26
  run: uv build && uv publish
{quant_met-0.0.27 → quant_met-0.1.0}/.github/workflows/typing.yml RENAMED
@@ -1,7 +1,4 @@
1
- # SPDX-FileCopyrightText: 2024 Tjark Sievers
2
- # SPDX-FileCopyrightText: 2025 Tjark Sievers
3
- #
4
- # SPDX-License-Identifier: MIT
1
+
5
2
 
6
3
  name: Type checking
7
4
 
@@ -28,7 +25,7 @@ jobs:
28
25
  with:
29
26
  python-version: "3.12"
30
27
  - name: Install uv
31
- uses: astral-sh/setup-uv@v5
28
+ uses: astral-sh/setup-uv@v6
32
29
  - name: Install the project
33
30
  run: uv sync --group=type
34
31
  - uses: extractions/setup-just@v3
{quant_met-0.0.27 → quant_met-0.1.0}/.github/workflows/unit_tests.yml RENAMED
@@ -1,7 +1,4 @@
1
- # SPDX-FileCopyrightText: 2024 Tjark Sievers
2
- # SPDX-FileCopyrightText: 2025 Tjark Sievers
3
- #
4
- # SPDX-License-Identifier: MIT
1
+
5
2
 
6
3
  name: Unit tests
7
4
 
@@ -30,7 +27,7 @@ jobs:
30
27
  with:
31
28
  fetch-depth: 0
32
29
  - name: Install uv
33
- uses: astral-sh/setup-uv@v5
30
+ uses: astral-sh/setup-uv@v6
34
31
  with:
35
32
  python-version: ${{ matrix.python-version }}
36
33
  enable-cache: true
{quant_met-0.0.27 → quant_met-0.1.0}/.gitignore RENAMED
@@ -1,8 +1,3 @@
1
- # SPDX-FileCopyrightText: 2024 Tjark Sievers
2
- # SPDX-FileCopyrightText: 2025 Tjark Sievers
3
- #
4
- # SPDX-License-Identifier: MIT
5
-
6
1
  .idea/
7
2
  .coverage
8
3
  coverage.xml
quant_met-0.1.0/.pre-commit-config.yaml ADDED
@@ -0,0 +1,15 @@
1
+
2
+
3
+ repos:
4
+ - repo: https://github.com/pre-commit/pre-commit-hooks
5
+ rev: v5.0.0
6
+ hooks:
7
+ - id: check-toml
8
+ - id: check-yaml
9
+ - id: end-of-file-fixer
10
+ - id: trailing-whitespace
11
+ - repo: https://github.com/pre-commit/pre-commit-hooks
12
+ rev: v5.0.0
13
+ hooks:
14
+ - id: no-commit-to-branch
15
+ args: [ --branch, main ]
{quant_met-0.0.27 → quant_met-0.1.0}/.readthedocs.yaml RENAMED
@@ -1,7 +1,4 @@
1
- # SPDX-FileCopyrightText: 2024 Tjark Sievers
2
- # SPDX-FileCopyrightText: 2025 Tjark Sievers
3
- #
4
- # SPDX-License-Identifier: MIT
1
+
5
2
 
6
3
  # .readthedocs.yaml
7
4
  # Read the Docs configuration file
quant_met-0.1.0/.vscode/settings.json ADDED
@@ -0,0 +1,8 @@
1
+ {
2
+ "python.testing.pytestArgs": [
3
+ "tests"
4
+ ],
5
+ "python.testing.unittestEnabled": false,
6
+ "python.testing.pytestEnabled": true,
7
+ "python.analysis.typeCheckingMode": "standard"
8
+ }
{quant_met-0.0.27 → quant_met-0.1.0}/CHANGELOG.rst RENAMED
@@ -1,7 +1,19 @@
1
- .. SPDX-FileCopyrightText: 2024 Tjark Sievers
2
- .. SPDX-FileCopyrightText: 2025 Tjark Sievers
3
- ..
4
- .. SPDX-License-Identifier: MIT
1
+
2
+ .. _changelog-0.1.0:
3
+
4
+ 0.1.0 — 2025-07-27
5
+ ------------------
6
+
7
+ Added
8
+ ^^^^^
9
+
10
+ - Routines to loop over finite momenta and analyse the resulting data
11
+
12
+ Changed
13
+ ^^^^^^^
14
+
15
+ - Switch whole architecture to use sisl as a basis for tight binding Hamiltonians
16
+
5
17
 
6
18
  .. _changelog-0.0.25:
7
19
 
{quant_met-0.0.27 → quant_met-0.1.0}/Makefile RENAMED
@@ -1,7 +1,4 @@
1
- # SPDX-FileCopyrightText: 2024 Tjark Sievers
2
- # SPDX-FileCopyrightText: 2025 Tjark Sievers
3
- #
4
- # SPDX-License-Identifier: MIT
1
+
5
2
 
6
3
  SHELL:=/bin/bash
7
4
 
{quant_met-0.0.27 → quant_met-0.1.0}/PKG-INFO RENAMED
@@ -1,8 +1,8 @@
1
1
  Metadata-Version: 2.4
2
2
  Name: quant-met
3
- Version: 0.0.27
3
+ Version: 0.1.0
4
4
  Summary: Calculate superconductivity in flat-band systems.
5
- Author-email: Tjark Sievers <tsievers@physnet.uni-hamburg.de>
5
+ Author-email: Tjark Sievers <tjarksievers@icloud.com>
6
6
  License-File: LICENSE.txt
7
7
  Requires-Python: >=3.11
8
8
  Requires-Dist: click>=8.1.8
@@ -10,28 +10,22 @@ Requires-Dist: h5py>=3.12.1
10
10
  Requires-Dist: matplotlib>=3.10.0
11
11
  Requires-Dist: numba>=0.61.0
12
12
  Requires-Dist: numpy>=2.1
13
- Requires-Dist: numpydantic>=1.6.6
13
+ Requires-Dist: numpydantic>=1.6.8
14
14
  Requires-Dist: pandas>=2.2.3
15
15
  Requires-Dist: pydantic>=2.10.4
16
- Requires-Dist: pythtb>=1.8.0
17
16
  Requires-Dist: pyyaml>=6.0.2
18
17
  Requires-Dist: scipy>=1.15.0
18
+ Requires-Dist: sisl[viz]>0.16.0
19
19
  Requires-Dist: tables>=3.10.2
20
+ Requires-Dist: tbmodels>=1.4.3
20
21
  Description-Content-Type: text/markdown
21
22
 
22
- <!--
23
- SPDX-FileCopyrightText: 2024 Tjark Sievers
24
- SPDX-FileCopyrightText: 2025 Tjark Sievers
25
-
26
- SPDX-License-Identifier: MIT
27
- -->
28
23
 
29
24
  # quant-met
30
25
 
31
26
  [![DOI](https://zenodo.org/badge/800628635.svg)](https://zenodo.org/badge/latestdoi/800628635)
32
27
  [![Test](https://github.com/Ruberhauptmann/quant-met/actions/workflows/unit_tests.yml/badge.svg)](https://github.com/Ruberhauptmann/quant-met/actions/workflows/unit_tests.yml)
33
28
  [![Coverage Status](https://coveralls.io/repos/github/Ruberhauptmann/quant-met/badge.svg?branch=main)](https://coveralls.io/github/Ruberhauptmann/quant-met?branch=main)
34
- [![PyPI - Python Version](https://img.shields.io/pypi/pyversions/quant-met)](https://pypi.org/project/quant-met/)
35
29
  [![PyPI - Version](https://img.shields.io/pypi/v/quant-met)](https://pypi.org/project/quant-met/)
36
30
 
37
31
  quant-met is a python package to treat superconductivity in flat-band systems.
{quant_met-0.0.27 → quant_met-0.1.0}/README.md RENAMED
@@ -1,16 +1,9 @@
1
- <!--
2
- SPDX-FileCopyrightText: 2024 Tjark Sievers
3
- SPDX-FileCopyrightText: 2025 Tjark Sievers
4
-
5
- SPDX-License-Identifier: MIT
6
- -->
7
1
 
8
2
  # quant-met
9
3
 
10
4
  [![DOI](https://zenodo.org/badge/800628635.svg)](https://zenodo.org/badge/latestdoi/800628635)
11
5
  [![Test](https://github.com/Ruberhauptmann/quant-met/actions/workflows/unit_tests.yml/badge.svg)](https://github.com/Ruberhauptmann/quant-met/actions/workflows/unit_tests.yml)
12
6
  [![Coverage Status](https://coveralls.io/repos/github/Ruberhauptmann/quant-met/badge.svg?branch=main)](https://coveralls.io/github/Ruberhauptmann/quant-met?branch=main)
13
- [![PyPI - Python Version](https://img.shields.io/pypi/pyversions/quant-met)](https://pypi.org/project/quant-met/)
14
7
  [![PyPI - Version](https://img.shields.io/pypi/v/quant-met)](https://pypi.org/project/quant-met/)
15
8
 
16
9
  quant-met is a python package to treat superconductivity in flat-band systems.
quant_met-0.1.0/changelog.d/scriv.ini ADDED
@@ -0,0 +1,2 @@
1
+ [scriv]
2
+ rst_header_chars = -^
{quant_met-0.0.27 → quant_met-0.1.0}/check_version.sh RENAMED
@@ -1,9 +1,6 @@
1
1
  #!/bin/bash
2
2
 
3
- # SPDX-FileCopyrightText: 2024 Tjark Sievers
4
- # SPDX-FileCopyrightText: 2025 Tjark Sievers
5
- #
6
- # SPDX-License-Identifier: MIT
3
+
7
4
 
8
5
  set -e
9
6
 
{quant_met-0.0.27 → quant_met-0.1.0}/docs/Makefile RENAMED
@@ -1,7 +1,4 @@
1
- # SPDX-FileCopyrightText: 2024 Tjark Sievers
2
- # SPDX-FileCopyrightText: 2025 Tjark Sievers
3
- #
4
- # SPDX-License-Identifier: MIT
1
+
5
2
 
6
3
  # Minimal makefile for Sphinx documentation
7
4
  #
{quant_met-0.0.27 → quant_met-0.1.0}/docs/make.bat RENAMED
@@ -1,8 +1,3 @@
1
- REM SPDX-FileCopyrightText: 2024 Tjark Sievers
2
- REM SPDX-FileCopyrightText: 2025 Tjark Sievers
3
- REM
4
- REM SPDX-License-Identifier: MIT
5
-
6
1
  @ECHO OFF
7
2
 
8
3
  pushd %~dp0
{quant_met-0.0.27 → quant_met-0.1.0}/docs/requirements.txt RENAMED
@@ -1,7 +1,3 @@
1
- # SPDX-FileCopyrightText: 2025 Tjark Sievers
2
- #
3
- # SPDX-License-Identifier: MIT
4
-
5
1
  sphinx>=8.2
6
2
  pydata-sphinx-theme>=0.15.4
7
3
  myst-parser>=3.0.1
{quant_met-0.0.27 → quant_met-0.1.0}/docs/source/_static/custom.css RENAMED
@@ -1,10 +1,3 @@
1
- /*
2
- * SPDX-FileCopyrightText: 2024 Tjark Sievers
3
- * SPDX-FileCopyrightText: 2025 Tjark Sievers
4
- *
5
- * SPDX-License-Identifier: MIT
6
- */
7
-
8
1
  /* Wrap long titles in pages */
9
2
  h1 {
10
3
  word-wrap: break-word;
{quant_met-0.0.27 → quant_met-0.1.0}/docs/source/_templates/autosummary/attribute.rst RENAMED
@@ -1,7 +1,4 @@
1
- .. SPDX-FileCopyrightText: 2024 Tjark Sievers
2
- .. SPDX-FileCopyrightText: 2025 Tjark Sievers
3
- ..
4
- .. SPDX-License-Identifier: MIT
1
+
5
2
 
6
3
  :orphan:
7
4
 
quant_met-0.1.0/docs/source/_templates/autosummary/class.rst ADDED
@@ -0,0 +1,43 @@
1
+ .. raw:: html
2
+
3
+ <div class="prename">{{ module }}.</div>
4
+ <div class="empty"></div>
5
+
6
+ {{ name }}
7
+ {{ underline }}
8
+
9
+ .. currentmodule:: {{ module }}
10
+
11
+ .. autoclass:: {{ objname }}
12
+ :no-members:
13
+ :no-inherited-members:
14
+ :no-special-members:
15
+
16
+ {% block methods %}
17
+ .. HACK -- the point here is that we don't want this to appear in the output, but the autosummary should still generate the pages.
18
+ .. autosummary::
19
+ :toctree:
20
+ {% for item in all_methods %}
21
+ {%- if not item.startswith('_') or item in ['__call__', '__mul__', '__getitem__', '__len__', '__pow__'] %}
22
+ {{ name }}.{{ item }}
23
+ {%- endif -%}
24
+ {%- endfor %}
25
+ {% for item in inherited_members %}
26
+ {%- if item in ['__call__', '__mul__', '__getitem__', '__len__', '__pow__'] %}
27
+ {{ name }}.{{ item }}
28
+ {%- endif -%}
29
+ {%- endfor %}
30
+ {% endblock %}
31
+
32
+ {% block attributes %}
33
+ {% if attributes %}
34
+ .. HACK -- the point here is that we don't want this to appear in the output, but the autosummary should still generate the pages.
35
+ .. autosummary::
36
+ :toctree:
37
+ {% for item in all_attributes %}
38
+ {%- if not item.startswith('_') %}
39
+ {{ name }}.{{ item }}
40
+ {%- endif -%}
41
+ {%- endfor %}
42
+ {% endif %}
43
+ {% endblock %}
{quant_met-0.0.27 → quant_met-0.1.0}/docs/source/_templates/autosummary/function.rst RENAMED
@@ -1,7 +1,4 @@
1
- .. SPDX-FileCopyrightText: 2024 Tjark Sievers
2
- .. SPDX-FileCopyrightText: 2025 Tjark Sievers
3
- ..
4
- .. SPDX-License-Identifier: MIT
1
+
5
2
 
6
3
  .. raw:: html
7
4
 
{quant_met-0.0.27 → quant_met-0.1.0}/docs/source/_templates/autosummary/method.rst RENAMED
@@ -1,7 +1,4 @@
1
- .. SPDX-FileCopyrightText: 2024 Tjark Sievers
2
- .. SPDX-FileCopyrightText: 2025 Tjark Sievers
3
- ..
4
- .. SPDX-License-Identifier: MIT
1
+
5
2
 
6
3
  :orphan:
7
4
 
{quant_met-0.0.27 → quant_met-0.1.0}/docs/source/_templates/autosummary/module.rst RENAMED
@@ -1,7 +1,4 @@
1
- .. SPDX-FileCopyrightText: 2024 Tjark Sievers
2
- .. SPDX-FileCopyrightText: 2025 Tjark Sievers
3
- ..
4
- .. SPDX-License-Identifier: MIT
1
+
5
2
 
6
3
  :orphan:
7
4
 
{quant_met-0.0.27 → quant_met-0.1.0}/docs/source/_templates/autosummary/property.rst RENAMED
@@ -1,7 +1,4 @@
1
- .. SPDX-FileCopyrightText: 2024 Tjark Sievers
2
- .. SPDX-FileCopyrightText: 2025 Tjark Sievers
3
- ..
4
- .. SPDX-License-Identifier: MIT
1
+
5
2
 
6
3
  :orphan:
7
4
 
quant_met-0.1.0/docs/source/changelog.rst ADDED
@@ -0,0 +1,6 @@
1
+
2
+
3
+ Changelog
4
+ =========
5
+
6
+ .. include:: ../../CHANGELOG.rst
{quant_met-0.0.27 → quant_met-0.1.0}/docs/source/conf.py RENAMED
@@ -1,7 +1,4 @@
1
- # SPDX-FileCopyrightText: 2024 Tjark Sievers
2
- # SPDX-FileCopyrightText: 2025 Tjark Sievers
3
- #
4
- # SPDX-License-Identifier: MIT
1
+
5
2
 
6
3
  # Configuration file for the Sphinx documentation builder.
7
4
  #
@@ -15,7 +12,7 @@
15
12
  import importlib.metadata
16
13
  import os
17
14
  import sys
18
- sys.path.insert(0, os.path.abspath('../src/'))
15
+ sys.path.insert(0, os.path.abspath('../../src/'))
19
16
 
20
17
  project = "quant-met"
21
18
  copyright = "2025, Tjark Sievers"
@@ -38,6 +35,7 @@ extensions = [
38
35
  "sphinx_design",
39
36
  "sphinxcontrib.autodoc_pydantic"
40
37
  ]
38
+ extensions.remove("sphinxcontrib.autodoc_pydantic")
41
39
 
42
40
  intersphinx_mapping = {
43
41
  "h5py": ("https://docs.h5py.org/en/latest/", None),
{quant_met-0.0.27 → quant_met-0.1.0}/docs/source/development.rst RENAMED
@@ -1,8 +1,3 @@
1
- .. SPDX-FileCopyrightText: 2024 Tjark Sievers
2
- .. SPDX-FileCopyrightText: 2025 Tjark Sievers
3
- ..
4
- .. SPDX-License-Identifier: MIT
5
-
6
1
  Development
7
2
  ===========
8
3
 
@@ -14,26 +9,21 @@ This should help you get set up to start this.
14
9
 
15
10
  Prerequisites:
16
11
 
17
- * make
18
12
  * python
19
- * conda
13
+ * just
14
+ * uv
20
15
 
21
16
  Set up the development environment:
22
17
 
23
18
  * clone the repository
24
- * run ``make environment``
25
- * now activate the conda environment ``conda activate quant-met-dev``
19
+ * run ``just environment``
26
20
 
27
- You can manually run tests using for example ``tox -e py312`` (for running against python 3.12).
21
+ You can manually run tests using for example ``just test``.
28
22
  After pushing your branch, all tests will also be run via Github Actions.
29
23
 
30
24
  Using ``pre-commit``, automatic linting and formatting is done before every commit, which may cause the first commit to fail.
31
25
  A second try should then succeed.
32
26
 
33
- To fix the reuse copyright::
34
-
35
- reuse annotate --license=MIT --copyright="Tjark Sievers" --skip-unrecognised -r .
36
-
37
27
  After you are done working on an issue and all tests are running successful, you can add a new piece of changelog via ``scriv create`` and make a pull request.
38
28
 
39
29
  Release Walkthrough
@@ -52,9 +42,9 @@ Where ``x.x.x`` is the version number for the upcoming release.
52
42
  2. Make sure all tests pass
53
43
  +++++++++++++++++++++++++++
54
44
 
55
- Run all tests via::
45
+ Run all tests, linting and typechecking via::
56
46
 
57
- tox
47
+ just
58
48
 
59
49
 
60
50
  3. Collect changelog
@@ -74,7 +64,7 @@ This needs to be changed in ``docs/source/extra/versions.json``.
74
64
  5. Bump version
75
65
  +++++++++++++++
76
66
 
77
- In ``pyproject.toml``, then lock the new version via ``poetry lock``.
67
+ In ``pyproject.toml``, then lock the new version via ``uv lock``.
78
68
 
79
69
  6. Prepare Github release
80
70
  +++++++++++++++++++++++++