solid-dmft 3.2.2__tar.gz → 3.2.3__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 (48) hide show
  1. {solid_dmft-3.2.2/python/solid_dmft.egg-info → solid_dmft-3.2.3}/PKG-INFO +1 -1
  2. {solid_dmft-3.2.2 → solid_dmft-3.2.3}/pyproject.toml +1 -1
  3. {solid_dmft-3.2.2 → solid_dmft-3.2.3}/python/solid_dmft/postprocessing/plot_correlated_bands.py +5 -3
  4. {solid_dmft-3.2.2 → solid_dmft-3.2.3}/python/solid_dmft/version.py +3 -3
  5. {solid_dmft-3.2.2 → solid_dmft-3.2.3/python/solid_dmft.egg-info}/PKG-INFO +1 -1
  6. {solid_dmft-3.2.2 → solid_dmft-3.2.3}/COPYING.txt +0 -0
  7. {solid_dmft-3.2.2 → solid_dmft-3.2.3}/LICENSE.txt +0 -0
  8. {solid_dmft-3.2.2 → solid_dmft-3.2.3}/MANIFEST.in +0 -0
  9. {solid_dmft-3.2.2 → solid_dmft-3.2.3}/README.md +0 -0
  10. {solid_dmft-3.2.2 → solid_dmft-3.2.3}/python/solid_dmft/__init__.py +0 -0
  11. {solid_dmft-3.2.2 → solid_dmft-3.2.3}/python/solid_dmft/csc_flow.py +0 -0
  12. {solid_dmft-3.2.2 → solid_dmft-3.2.3}/python/solid_dmft/dft_managers/__init__.py +0 -0
  13. {solid_dmft-3.2.2 → solid_dmft-3.2.3}/python/solid_dmft/dft_managers/mpi_helpers.py +0 -0
  14. {solid_dmft-3.2.2 → solid_dmft-3.2.3}/python/solid_dmft/dft_managers/qe_manager.py +0 -0
  15. {solid_dmft-3.2.2 → solid_dmft-3.2.3}/python/solid_dmft/dft_managers/vasp_manager.py +0 -0
  16. {solid_dmft-3.2.2 → solid_dmft-3.2.3}/python/solid_dmft/dmft_cycle.py +0 -0
  17. {solid_dmft-3.2.2 → solid_dmft-3.2.3}/python/solid_dmft/dmft_tools/__init__.py +0 -0
  18. {solid_dmft-3.2.2 → solid_dmft-3.2.3}/python/solid_dmft/dmft_tools/afm_mapping.py +0 -0
  19. {solid_dmft-3.2.2 → solid_dmft-3.2.3}/python/solid_dmft/dmft_tools/convergence.py +0 -0
  20. {solid_dmft-3.2.2 → solid_dmft-3.2.3}/python/solid_dmft/dmft_tools/formatter.py +0 -0
  21. {solid_dmft-3.2.2 → solid_dmft-3.2.3}/python/solid_dmft/dmft_tools/greens_functions_mixer.py +0 -0
  22. {solid_dmft-3.2.2 → solid_dmft-3.2.3}/python/solid_dmft/dmft_tools/initial_self_energies.py +0 -0
  23. {solid_dmft-3.2.2 → solid_dmft-3.2.3}/python/solid_dmft/dmft_tools/interaction_hamiltonian.py +0 -0
  24. {solid_dmft-3.2.2 → solid_dmft-3.2.3}/python/solid_dmft/dmft_tools/legendre_filter.py +0 -0
  25. {solid_dmft-3.2.2 → solid_dmft-3.2.3}/python/solid_dmft/dmft_tools/manipulate_chemical_potential.py +0 -0
  26. {solid_dmft-3.2.2 → solid_dmft-3.2.3}/python/solid_dmft/dmft_tools/matheval.py +0 -0
  27. {solid_dmft-3.2.2 → solid_dmft-3.2.3}/python/solid_dmft/dmft_tools/observables.py +0 -0
  28. {solid_dmft-3.2.2 → solid_dmft-3.2.3}/python/solid_dmft/dmft_tools/results_to_archive.py +0 -0
  29. {solid_dmft-3.2.2 → solid_dmft-3.2.3}/python/solid_dmft/dmft_tools/solver.py +0 -0
  30. {solid_dmft-3.2.2 → solid_dmft-3.2.3}/python/solid_dmft/main.py +0 -0
  31. {solid_dmft-3.2.2 → solid_dmft-3.2.3}/python/solid_dmft/postprocessing/__init__.py +0 -0
  32. {solid_dmft-3.2.2 → solid_dmft-3.2.3}/python/solid_dmft/postprocessing/eval_U_cRPA_RESPACK.py +0 -0
  33. {solid_dmft-3.2.2 → solid_dmft-3.2.3}/python/solid_dmft/postprocessing/eval_U_cRPA_Vasp.py +0 -0
  34. {solid_dmft-3.2.2 → solid_dmft-3.2.3}/python/solid_dmft/postprocessing/maxent_gf_imp.py +0 -0
  35. {solid_dmft-3.2.2 → solid_dmft-3.2.3}/python/solid_dmft/postprocessing/maxent_gf_latt.py +0 -0
  36. {solid_dmft-3.2.2 → solid_dmft-3.2.3}/python/solid_dmft/postprocessing/maxent_sigma.py +0 -0
  37. {solid_dmft-3.2.2 → solid_dmft-3.2.3}/python/solid_dmft/read_config.py +0 -0
  38. {solid_dmft-3.2.2 → solid_dmft-3.2.3}/python/solid_dmft/util/__init__.py +0 -0
  39. {solid_dmft-3.2.2 → solid_dmft-3.2.3}/python/solid_dmft/util/symmetrize_gamma_file.py +0 -0
  40. {solid_dmft-3.2.2 → solid_dmft-3.2.3}/python/solid_dmft/util/update_dmft_config.py +0 -0
  41. {solid_dmft-3.2.2 → solid_dmft-3.2.3}/python/solid_dmft/util/update_results_h5.py +0 -0
  42. {solid_dmft-3.2.2 → solid_dmft-3.2.3}/python/solid_dmft/util/write_kslice_to_h5.py +0 -0
  43. {solid_dmft-3.2.2 → solid_dmft-3.2.3}/python/solid_dmft.egg-info/SOURCES.txt +0 -0
  44. {solid_dmft-3.2.2 → solid_dmft-3.2.3}/python/solid_dmft.egg-info/dependency_links.txt +0 -0
  45. {solid_dmft-3.2.2 → solid_dmft-3.2.3}/python/solid_dmft.egg-info/entry_points.txt +0 -0
  46. {solid_dmft-3.2.2 → solid_dmft-3.2.3}/python/solid_dmft.egg-info/requires.txt +0 -0
  47. {solid_dmft-3.2.2 → solid_dmft-3.2.3}/python/solid_dmft.egg-info/top_level.txt +0 -0
  48. {solid_dmft-3.2.2 → solid_dmft-3.2.3}/setup.cfg +0 -0
@@ -1,6 +1,6 @@
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  Metadata-Version: 2.1
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  Name: solid_dmft
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- Version: 3.2.2
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+ Version: 3.2.3
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  Summary: solid_dmft: a versatile python wrapper to perform DFT+DMFT calculations utilizing the TRIQS software library
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  Author-email: Alexander Hampel <ahampel@flatironinstitute.org>
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  Project-URL: Homepage, https://triqs.github.io/solid_dmft
@@ -7,7 +7,7 @@ where = ["python"]
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  [project]
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  name = "solid_dmft"
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- version = "3.2.2"
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+ version = "3.2.3"
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  authors = [
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  { name="Alexander Hampel", email="ahampel@flatironinstitute.org" }
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  ]
@@ -619,6 +619,7 @@ def plot_kslice(fig, ax, alatt_k_w, tb_data, freq_dict, n_orb, tb_dict, tb=True,
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  raise ValueError('A(k,w) unknown. Specify "with_sigma = True"')
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  n_kx, n_ky = tb_data['e_mat'].shape[2:4]
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  kx, ky = np.meshgrid(range(n_kx), range(n_ky))
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+ draw_colorbar = True
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  for (qx, qy) in used_quarters:
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  if len(alatt_k_w.shape) > 2:
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  for orb in range(n_orb):
@@ -630,9 +631,10 @@ def plot_kslice(fig, ax, alatt_k_w, tb_data, freq_dict, n_orb, tb_dict, tb=True,
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  norm=Normalize(vmin=vmin, vmax=vmax),
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  shading='gouraud')
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- if 'colorbar' not in plot_dict or plot_dict['colorbar']:
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- colorbar = plt.colorbar(graph)
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- colorbar.set_label(r'$A(k, 0$)')
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+ if draw_colorbar and ('colorbar' not in plot_dict or plot_dict['colorbar']):
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+ colorbar = plt.colorbar(graph)
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+ colorbar.set_label(r'$A(k, 0$)')
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+ draw_colorbar = False
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  if tb:
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  FS_kx_ky, band_char = get_tb_kslice(tb_data['tb'], tb_data['mu_tb'], **tb_dict)
@@ -22,12 +22,12 @@
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  #
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  ################################################################################
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- version = "3.2.2"
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+ version = "3.2.3"
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  triqs_hash = "8216931d15230ad4ffd4acba3db651046c040d99"
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- solid_dmft_hash = "90f23ef5222ddd232855e5a8d3440b8008359e65"
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+ solid_dmft_hash = "5a6299a234bc906a59921f32e93962a91d2c59cc"
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  def show_version():
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  print("\nYou are using solid_dmft version %s\n"%version)
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  def show_git_hash():
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- print("\nYou are using solid_dmft git hash %s based on triqs git hash %s\n"%("90f23ef5222ddd232855e5a8d3440b8008359e65", triqs_hash))
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+ print("\nYou are using solid_dmft git hash %s based on triqs git hash %s\n"%("5a6299a234bc906a59921f32e93962a91d2c59cc", triqs_hash))
@@ -1,6 +1,6 @@
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  Metadata-Version: 2.1
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  Name: solid_dmft
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- Version: 3.2.2
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+ Version: 3.2.3
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  Summary: solid_dmft: a versatile python wrapper to perform DFT+DMFT calculations utilizing the TRIQS software library
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  Author-email: Alexander Hampel <ahampel@flatironinstitute.org>
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  Project-URL: Homepage, https://triqs.github.io/solid_dmft
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