vasprocar 1.1.19.140__tar.gz → 1.1.19.142__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.

Potentially problematic release.

This version of vasprocar might be problematic. Click here for more details.

Files changed (119) hide show
  1. {vasprocar-1.1.19.140/vasprocar.egg-info → vasprocar-1.1.19.142}/PKG-INFO +1 -1
  2. {vasprocar-1.1.19.140 → vasprocar-1.1.19.142}/setup.py +1 -1
  3. {vasprocar-1.1.19.140 → vasprocar-1.1.19.142}/vasprocar/__main__.py +1 -1
  4. {vasprocar-1.1.19.140 → vasprocar-1.1.19.142}/vasprocar/src/plot/plot_spin_texture_contour_video.py +0 -2
  5. {vasprocar-1.1.19.140 → vasprocar-1.1.19.142}/vasprocar/src/spin_texture_contour_video.py +1 -0
  6. {vasprocar-1.1.19.140 → vasprocar-1.1.19.142/vasprocar.egg-info}/PKG-INFO +1 -1
  7. {vasprocar-1.1.19.140 → vasprocar-1.1.19.142}/LICENSE.txt +0 -0
  8. {vasprocar-1.1.19.140 → vasprocar-1.1.19.142}/README.md +0 -0
  9. {vasprocar-1.1.19.140 → vasprocar-1.1.19.142}/setup.cfg +0 -0
  10. {vasprocar-1.1.19.140 → vasprocar-1.1.19.142}/vasprocar/__init__.py +0 -0
  11. {vasprocar-1.1.19.140 → vasprocar-1.1.19.142}/vasprocar/src/_QE/_info.py +0 -0
  12. {vasprocar-1.1.19.140 → vasprocar-1.1.19.142}/vasprocar/src/_QE/_info_b.py +0 -0
  13. {vasprocar-1.1.19.140 → vasprocar-1.1.19.142}/vasprocar/src/_QE/_label.py +0 -0
  14. {vasprocar-1.1.19.140 → vasprocar-1.1.19.142}/vasprocar/src/_QE/_nscf.py +0 -0
  15. {vasprocar-1.1.19.140 → vasprocar-1.1.19.142}/vasprocar/src/_QE/_var_kpoints.py +0 -0
  16. {vasprocar-1.1.19.140 → vasprocar-1.1.19.142}/vasprocar/src/_QE/angular_momentum_plot/plot_projecao_angular_momentum.py +0 -0
  17. {vasprocar-1.1.19.140 → vasprocar-1.1.19.142}/vasprocar/src/_QE/angular_momentum_plot/plot_projecao_angular_momentum_grace.py +0 -0
  18. {vasprocar-1.1.19.140 → vasprocar-1.1.19.142}/vasprocar/src/_QE/contribuicao.py +0 -0
  19. {vasprocar-1.1.19.140 → vasprocar-1.1.19.142}/vasprocar/src/_QE/dos_pdos_ldos.py +0 -0
  20. {vasprocar-1.1.19.140 → vasprocar-1.1.19.142}/vasprocar/src/_QE/dos_plot/Grace/plot_dos_pdos_ldos.py +0 -0
  21. {vasprocar-1.1.19.140 → vasprocar-1.1.19.142}/vasprocar/src/_QE/dos_plot/Grace/plot_dos_pdos_ldos_[polarizado].py +0 -0
  22. {vasprocar-1.1.19.140 → vasprocar-1.1.19.142}/vasprocar/src/_QE/dos_plot/Grace/plot_dos_pdos_ldos_[polarizado_delta].py +0 -0
  23. {vasprocar-1.1.19.140 → vasprocar-1.1.19.142}/vasprocar/src/_QE/dos_plot/plot_dos_pdos_ldos.py +0 -0
  24. {vasprocar-1.1.19.140 → vasprocar-1.1.19.142}/vasprocar/src/_QE/dos_plot/plot_dos_pdos_ldos_[polarizado].py +0 -0
  25. {vasprocar-1.1.19.140 → vasprocar-1.1.19.142}/vasprocar/src/_QE/kpoints_2D_3D.py +0 -0
  26. {vasprocar-1.1.19.140 → vasprocar-1.1.19.142}/vasprocar/src/_QE/projecao_angular_momentum.py +0 -0
  27. {vasprocar-1.1.19.140 → vasprocar-1.1.19.142}/vasprocar/src/_VASP/_info.py +0 -0
  28. {vasprocar-1.1.19.140 → vasprocar-1.1.19.142}/vasprocar/src/_VASP/_info_b.py +0 -0
  29. {vasprocar-1.1.19.140 → vasprocar-1.1.19.142}/vasprocar/src/_VASP/_label.py +0 -0
  30. {vasprocar-1.1.19.140 → vasprocar-1.1.19.142}/vasprocar/src/_VASP/_nscf.py +0 -0
  31. {vasprocar-1.1.19.140 → vasprocar-1.1.19.142}/vasprocar/src/_VASP/_var_kpoints.py +0 -0
  32. {vasprocar-1.1.19.140 → vasprocar-1.1.19.142}/vasprocar/src/_VASP/chgcar.py +0 -0
  33. {vasprocar-1.1.19.140 → vasprocar-1.1.19.142}/vasprocar/src/_VASP/contcar_info.py +0 -0
  34. {vasprocar-1.1.19.140 → vasprocar-1.1.19.142}/vasprocar/src/_VASP/contribuicao.py +0 -0
  35. {vasprocar-1.1.19.140 → vasprocar-1.1.19.142}/vasprocar/src/_VASP/dielectric_function.py +0 -0
  36. {vasprocar-1.1.19.140 → vasprocar-1.1.19.142}/vasprocar/src/_VASP/dos_pdos_ldos.py +0 -0
  37. {vasprocar-1.1.19.140 → vasprocar-1.1.19.142}/vasprocar/src/_VASP/dos_pdos_ldos_[polarizado].py +0 -0
  38. {vasprocar-1.1.19.140 → vasprocar-1.1.19.142}/vasprocar/src/_VASP/kpoints_2D_3D.py +0 -0
  39. {vasprocar-1.1.19.140 → vasprocar-1.1.19.142}/vasprocar/src/_VASP/parchg.py +0 -0
  40. {vasprocar-1.1.19.140 → vasprocar-1.1.19.142}/vasprocar/src/_VASP/poscar_replace.py +0 -0
  41. {vasprocar-1.1.19.140 → vasprocar-1.1.19.142}/vasprocar/src/_VASP/postar_combination.py +0 -0
  42. {vasprocar-1.1.19.140 → vasprocar-1.1.19.142}/vasprocar/src/_VASP/potencial.py +0 -0
  43. {vasprocar-1.1.19.140 → vasprocar-1.1.19.142}/vasprocar/src/_VASP/wave_function.py +0 -0
  44. {vasprocar-1.1.19.140 → vasprocar-1.1.19.142}/vasprocar/src/_dft.py +0 -0
  45. {vasprocar-1.1.19.140 → vasprocar-1.1.19.142}/vasprocar/src/_dft2kp.py +0 -0
  46. {vasprocar-1.1.19.140 → vasprocar-1.1.19.142}/vasprocar/src/_loop.py +0 -0
  47. {vasprocar-1.1.19.140 → vasprocar-1.1.19.142}/vasprocar/src/_settings.py +0 -0
  48. {vasprocar-1.1.19.140 → vasprocar-1.1.19.142}/vasprocar/src/_update.py +0 -0
  49. {vasprocar-1.1.19.140 → vasprocar-1.1.19.142}/vasprocar/src/bandas_2D.py +0 -0
  50. {vasprocar-1.1.19.140 → vasprocar-1.1.19.142}/vasprocar/src/bandas_3D.py +0 -0
  51. {vasprocar-1.1.19.140 → vasprocar-1.1.19.142}/vasprocar/src/bandas_4D.py +0 -0
  52. {vasprocar-1.1.19.140 → vasprocar-1.1.19.142}/vasprocar/src/correction_file.py +0 -0
  53. {vasprocar-1.1.19.140 → vasprocar-1.1.19.142}/vasprocar/src/etc/BibTeX.dat +0 -0
  54. {vasprocar-1.1.19.140 → vasprocar-1.1.19.142}/vasprocar/src/etc/DOI.png +0 -0
  55. {vasprocar-1.1.19.140 → vasprocar-1.1.19.142}/vasprocar/src/etc/Greek_alphabet.jpg +0 -0
  56. {vasprocar-1.1.19.140 → vasprocar-1.1.19.142}/vasprocar/src/fermi_surface.py +0 -0
  57. {vasprocar-1.1.19.140 → vasprocar-1.1.19.142}/vasprocar/src/inputs/input.vasprocar.bands +0 -0
  58. {vasprocar-1.1.19.140 → vasprocar-1.1.19.142}/vasprocar/src/inputs/input.vasprocar.chgcar +0 -0
  59. {vasprocar-1.1.19.140 → vasprocar-1.1.19.142}/vasprocar/src/inputs/input.vasprocar.dos +0 -0
  60. {vasprocar-1.1.19.140 → vasprocar-1.1.19.142}/vasprocar/src/inputs/input.vasprocar.fermi_surface +0 -0
  61. {vasprocar-1.1.19.140 → vasprocar-1.1.19.142}/vasprocar/src/inputs/input.vasprocar.location +0 -0
  62. {vasprocar-1.1.19.140 → vasprocar-1.1.19.142}/vasprocar/src/inputs/input.vasprocar.locpot +0 -0
  63. {vasprocar-1.1.19.140 → vasprocar-1.1.19.142}/vasprocar/src/inputs/input.vasprocar.orbitals +0 -0
  64. {vasprocar-1.1.19.140 → vasprocar-1.1.19.142}/vasprocar/src/inputs/input.vasprocar.spin +0 -0
  65. {vasprocar-1.1.19.140 → vasprocar-1.1.19.142}/vasprocar/src/inputs/input.vasprocar.spin_video +0 -0
  66. {vasprocar-1.1.19.140 → vasprocar-1.1.19.142}/vasprocar/src/inputs/inputs.py +0 -0
  67. {vasprocar-1.1.19.140 → vasprocar-1.1.19.142}/vasprocar/src/inputs/inputs_files.py +0 -0
  68. {vasprocar-1.1.19.140 → vasprocar-1.1.19.142}/vasprocar/src/level_countour.py +0 -0
  69. {vasprocar-1.1.19.140 → vasprocar-1.1.19.142}/vasprocar/src/orbital_texture.py +0 -0
  70. {vasprocar-1.1.19.140 → vasprocar-1.1.19.142}/vasprocar/src/orbital_texture_vector.py +0 -0
  71. {vasprocar-1.1.19.140 → vasprocar-1.1.19.142}/vasprocar/src/plot/Grace/plot_bandas_2D.py +0 -0
  72. {vasprocar-1.1.19.140 → vasprocar-1.1.19.142}/vasprocar/src/plot/Grace/plot_chgcar.py +0 -0
  73. {vasprocar-1.1.19.140 → vasprocar-1.1.19.142}/vasprocar/src/plot/Grace/plot_dielectric_function.py +0 -0
  74. {vasprocar-1.1.19.140 → vasprocar-1.1.19.142}/vasprocar/src/plot/Grace/plot_dos_pdos_ldos.py +0 -0
  75. {vasprocar-1.1.19.140 → vasprocar-1.1.19.142}/vasprocar/src/plot/Grace/plot_dos_pdos_ldos_[polarizado].py +0 -0
  76. {vasprocar-1.1.19.140 → vasprocar-1.1.19.142}/vasprocar/src/plot/Grace/plot_dos_pdos_ldos_[polarizado_delta].py +0 -0
  77. {vasprocar-1.1.19.140 → vasprocar-1.1.19.142}/vasprocar/src/plot/Grace/plot_parchg.py +0 -0
  78. {vasprocar-1.1.19.140 → vasprocar-1.1.19.142}/vasprocar/src/plot/Grace/plot_potencial.py +0 -0
  79. {vasprocar-1.1.19.140 → vasprocar-1.1.19.142}/vasprocar/src/plot/Grace/plot_projecao_localizacao.py +0 -0
  80. {vasprocar-1.1.19.140 → vasprocar-1.1.19.142}/vasprocar/src/plot/Grace/plot_projecao_orbitais.py +0 -0
  81. {vasprocar-1.1.19.140 → vasprocar-1.1.19.142}/vasprocar/src/plot/Grace/plot_projecao_psi.py +0 -0
  82. {vasprocar-1.1.19.140 → vasprocar-1.1.19.142}/vasprocar/src/plot/Grace/plot_projecao_spin.py +0 -0
  83. {vasprocar-1.1.19.140 → vasprocar-1.1.19.142}/vasprocar/src/plot/Grace/plot_wave_function.py +0 -0
  84. {vasprocar-1.1.19.140 → vasprocar-1.1.19.142}/vasprocar/src/plot/_plot_settings.py +0 -0
  85. {vasprocar-1.1.19.140 → vasprocar-1.1.19.142}/vasprocar/src/plot/plot_bandas_2D.py +0 -0
  86. {vasprocar-1.1.19.140 → vasprocar-1.1.19.142}/vasprocar/src/plot/plot_bandas_3D_matplotlib.py +0 -0
  87. {vasprocar-1.1.19.140 → vasprocar-1.1.19.142}/vasprocar/src/plot/plot_bandas_3D_plotly.py +0 -0
  88. {vasprocar-1.1.19.140 → vasprocar-1.1.19.142}/vasprocar/src/plot/plot_bandas_4D_plotly.py +0 -0
  89. {vasprocar-1.1.19.140 → vasprocar-1.1.19.142}/vasprocar/src/plot/plot_chgcar.py +0 -0
  90. {vasprocar-1.1.19.140 → vasprocar-1.1.19.142}/vasprocar/src/plot/plot_dielectric_function.py +0 -0
  91. {vasprocar-1.1.19.140 → vasprocar-1.1.19.142}/vasprocar/src/plot/plot_dos_pdos_ldos.py +0 -0
  92. {vasprocar-1.1.19.140 → vasprocar-1.1.19.142}/vasprocar/src/plot/plot_dos_pdos_ldos_[polarizado].py +0 -0
  93. {vasprocar-1.1.19.140 → vasprocar-1.1.19.142}/vasprocar/src/plot/plot_fermi_surface.py +0 -0
  94. {vasprocar-1.1.19.140 → vasprocar-1.1.19.142}/vasprocar/src/plot/plot_level_countour.py +0 -0
  95. {vasprocar-1.1.19.140 → vasprocar-1.1.19.142}/vasprocar/src/plot/plot_orbital_texture.py +0 -0
  96. {vasprocar-1.1.19.140 → vasprocar-1.1.19.142}/vasprocar/src/plot/plot_orbital_texture_vector.py +0 -0
  97. {vasprocar-1.1.19.140 → vasprocar-1.1.19.142}/vasprocar/src/plot/plot_parchg.py +0 -0
  98. {vasprocar-1.1.19.140 → vasprocar-1.1.19.142}/vasprocar/src/plot/plot_potencial.py +0 -0
  99. {vasprocar-1.1.19.140 → vasprocar-1.1.19.142}/vasprocar/src/plot/plot_projecao_localizacao.py +0 -0
  100. {vasprocar-1.1.19.140 → vasprocar-1.1.19.142}/vasprocar/src/plot/plot_projecao_orbitais.py +0 -0
  101. {vasprocar-1.1.19.140 → vasprocar-1.1.19.142}/vasprocar/src/plot/plot_projecao_psi.py +0 -0
  102. {vasprocar-1.1.19.140 → vasprocar-1.1.19.142}/vasprocar/src/plot/plot_projecao_spin.py +0 -0
  103. {vasprocar-1.1.19.140 → vasprocar-1.1.19.142}/vasprocar/src/plot/plot_spin_texture_2D.py +0 -0
  104. {vasprocar-1.1.19.140 → vasprocar-1.1.19.142}/vasprocar/src/plot/plot_spin_texture_3D.py +0 -0
  105. {vasprocar-1.1.19.140 → vasprocar-1.1.19.142}/vasprocar/src/plot/plot_spin_texture_4D.py +0 -0
  106. {vasprocar-1.1.19.140 → vasprocar-1.1.19.142}/vasprocar/src/plot/plot_spin_texture_4D_[iso].py +0 -0
  107. {vasprocar-1.1.19.140 → vasprocar-1.1.19.142}/vasprocar/src/plot/plot_spin_texture_contour.py +0 -0
  108. {vasprocar-1.1.19.140 → vasprocar-1.1.19.142}/vasprocar/src/plot/plot_wave_function.py +0 -0
  109. {vasprocar-1.1.19.140 → vasprocar-1.1.19.142}/vasprocar/src/projecao_localizacao.py +0 -0
  110. {vasprocar-1.1.19.140 → vasprocar-1.1.19.142}/vasprocar/src/projecao_orbitais.py +0 -0
  111. {vasprocar-1.1.19.140 → vasprocar-1.1.19.142}/vasprocar/src/projecao_psi.py +0 -0
  112. {vasprocar-1.1.19.140 → vasprocar-1.1.19.142}/vasprocar/src/projecao_spin.py +0 -0
  113. {vasprocar-1.1.19.140 → vasprocar-1.1.19.142}/vasprocar/src/spin_texture.py +0 -0
  114. {vasprocar-1.1.19.140 → vasprocar-1.1.19.142}/vasprocar/src/spin_texture_contour.py +0 -0
  115. {vasprocar-1.1.19.140 → vasprocar-1.1.19.142}/vasprocar.egg-info/SOURCES.txt +0 -0
  116. {vasprocar-1.1.19.140 → vasprocar-1.1.19.142}/vasprocar.egg-info/dependency_links.txt +0 -0
  117. {vasprocar-1.1.19.140 → vasprocar-1.1.19.142}/vasprocar.egg-info/entry_points.txt +0 -0
  118. {vasprocar-1.1.19.140 → vasprocar-1.1.19.142}/vasprocar.egg-info/requires.txt +0 -0
  119. {vasprocar-1.1.19.140 → vasprocar-1.1.19.142}/vasprocar.egg-info/top_level.txt +0 -0
{vasprocar-1.1.19.140/vasprocar.egg-info → vasprocar-1.1.19.142}/PKG-INFO RENAMED
@@ -1,6 +1,6 @@
1
1
  Metadata-Version: 2.1
2
2
  Name: vasprocar
3
- Version: 1.1.19.140
3
+ Version: 1.1.19.142
4
4
  Summary: VASProcar is an open-source package written in the Python 3 programming language, which aims to provide an intuitive tool for the post-processing of the output files produced by the DFT VASP/QE codes, through an interactive user interface.
5
5
  Home-page: https://doi.org/10.5281/zenodo.6343960
6
6
  Download-URL: https://doi.org/10.5281/zenodo.6343960
{vasprocar-1.1.19.140 → vasprocar-1.1.19.142}/setup.py RENAMED
@@ -6,7 +6,7 @@ from typing import Optional
6
6
 
7
7
  setup(
8
8
  name = "vasprocar",
9
- version = "1.1.19.140",
9
+ version = "1.1.19.142",
10
10
  entry_points={'console_scripts': ['vasprocar = vasprocar:main']},
11
11
  description = "VASProcar is an open-source package written in the Python 3 programming language, which aims to provide an intuitive tool for the post-processing of the output files produced by the DFT VASP/QE codes, through an interactive user interface.",
12
12
  author = "Augusto de Lelis Araujo and Renan da Paixao Maciel",
{vasprocar-1.1.19.140 → vasprocar-1.1.19.142}/vasprocar/__main__.py RENAMED
@@ -14,7 +14,7 @@ dir_vasprocar = os.path.dirname(os.path.realpath(__file__))
14
14
  print(f'{dir_vasprocar}')
15
15
  #------------------------
16
16
 
17
- version = '1.1.19.140'
17
+ version = '1.1.19.142'
18
18
  VASProcar_name = 'VASProcar version ' + version
19
19
 
20
20
  url_1 = 'https://pypi.org/project/vasprocar'
{vasprocar-1.1.19.140 → vasprocar-1.1.19.142}/vasprocar/src/plot/plot_spin_texture_contour_video.py RENAMED
@@ -13,8 +13,6 @@ from scipy.interpolate import griddata
13
13
  print(" ")
14
14
  print("========== 2D Plot of Spin Projection (Level Contours) ==========")
15
15
 
16
- allowed_bands = 'odd'
17
-
18
16
  if (tipo_contour < 2):
19
17
  levels_n = [0.0]*n_contour
20
18
 
{vasprocar-1.1.19.140 → vasprocar-1.1.19.142}/vasprocar/src/spin_texture_contour_video.py RENAMED
@@ -505,6 +505,7 @@ linha += 1; lines.insert(linha, '#==============================================
505
505
  linha += 1; lines.insert(linha, '# These are the parameters that allows the code to run separatedly === \n')
506
506
  linha += 1; lines.insert(linha, '#===================================================================== \n')
507
507
  linha += 1; lines.insert(linha, '\n')
508
+ linha += 1; lines.insert(linha, 'allowed_bands = "all" # "all", "even" or "odd" \n')
508
509
  linha += 1; lines.insert(linha, f'nk = {nk} # Total Num. of k-points \n')
509
510
  linha += 1; lines.insert(linha, f'Band_i = {Band_i} # Initial band to be plotted \n')
510
511
  linha += 1; lines.insert(linha, f'Band_f = {Band_f} # Final band to be plotted \n')
{vasprocar-1.1.19.140 → vasprocar-1.1.19.142/vasprocar.egg-info}/PKG-INFO RENAMED
@@ -1,6 +1,6 @@
1
1
  Metadata-Version: 2.1
2
2
  Name: vasprocar
3
- Version: 1.1.19.140
3
+ Version: 1.1.19.142
4
4
  Summary: VASProcar is an open-source package written in the Python 3 programming language, which aims to provide an intuitive tool for the post-processing of the output files produced by the DFT VASP/QE codes, through an interactive user interface.
5
5
  Home-page: https://doi.org/10.5281/zenodo.6343960
6
6
  Download-URL: https://doi.org/10.5281/zenodo.6343960
{vasprocar-1.1.19.140 → vasprocar-1.1.19.142}/README.md RENAMED
File without changes
{vasprocar-1.1.19.140 → vasprocar-1.1.19.142}/setup.cfg RENAMED
File without changes