vasprocar 1.1.19.86__tar.gz → 1.1.19.88__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 (117) hide show
  1. {vasprocar-1.1.19.86 → vasprocar-1.1.19.88}/PKG-INFO +1 -1
  2. {vasprocar-1.1.19.86 → vasprocar-1.1.19.88}/setup.py +1 -1
  3. {vasprocar-1.1.19.86 → vasprocar-1.1.19.88}/vasprocar/__main__.py +1 -1
  4. {vasprocar-1.1.19.86 → vasprocar-1.1.19.88}/vasprocar/src/_VASP/contribuicao.py +2 -1
  5. {vasprocar-1.1.19.86 → vasprocar-1.1.19.88}/vasprocar.egg-info/PKG-INFO +1 -1
  6. {vasprocar-1.1.19.86 → vasprocar-1.1.19.88}/LICENSE.txt +0 -0
  7. {vasprocar-1.1.19.86 → vasprocar-1.1.19.88}/README.md +0 -0
  8. {vasprocar-1.1.19.86 → vasprocar-1.1.19.88}/setup.cfg +0 -0
  9. {vasprocar-1.1.19.86 → vasprocar-1.1.19.88}/vasprocar/__init__.py +0 -0
  10. {vasprocar-1.1.19.86 → vasprocar-1.1.19.88}/vasprocar/src/_QE/_info.py +0 -0
  11. {vasprocar-1.1.19.86 → vasprocar-1.1.19.88}/vasprocar/src/_QE/_info_b.py +0 -0
  12. {vasprocar-1.1.19.86 → vasprocar-1.1.19.88}/vasprocar/src/_QE/_label.py +0 -0
  13. {vasprocar-1.1.19.86 → vasprocar-1.1.19.88}/vasprocar/src/_QE/_nscf.py +0 -0
  14. {vasprocar-1.1.19.86 → vasprocar-1.1.19.88}/vasprocar/src/_QE/_var_kpoints.py +0 -0
  15. {vasprocar-1.1.19.86 → vasprocar-1.1.19.88}/vasprocar/src/_QE/angular_momentum_plot/plot_projecao_angular_momentum.py +0 -0
  16. {vasprocar-1.1.19.86 → vasprocar-1.1.19.88}/vasprocar/src/_QE/angular_momentum_plot/plot_projecao_angular_momentum_grace.py +0 -0
  17. {vasprocar-1.1.19.86 → vasprocar-1.1.19.88}/vasprocar/src/_QE/contribuicao.py +0 -0
  18. {vasprocar-1.1.19.86 → vasprocar-1.1.19.88}/vasprocar/src/_QE/dos_pdos_ldos.py +0 -0
  19. {vasprocar-1.1.19.86 → vasprocar-1.1.19.88}/vasprocar/src/_QE/dos_plot/Grace/plot_dos_pdos_ldos.py +0 -0
  20. {vasprocar-1.1.19.86 → vasprocar-1.1.19.88}/vasprocar/src/_QE/dos_plot/Grace/plot_dos_pdos_ldos_[polarizado].py +0 -0
  21. {vasprocar-1.1.19.86 → vasprocar-1.1.19.88}/vasprocar/src/_QE/dos_plot/Grace/plot_dos_pdos_ldos_[polarizado_delta].py +0 -0
  22. {vasprocar-1.1.19.86 → vasprocar-1.1.19.88}/vasprocar/src/_QE/dos_plot/plot_dos_pdos_ldos.py +0 -0
  23. {vasprocar-1.1.19.86 → vasprocar-1.1.19.88}/vasprocar/src/_QE/dos_plot/plot_dos_pdos_ldos_[polarizado].py +0 -0
  24. {vasprocar-1.1.19.86 → vasprocar-1.1.19.88}/vasprocar/src/_QE/kpoints_2D_3D.py +0 -0
  25. {vasprocar-1.1.19.86 → vasprocar-1.1.19.88}/vasprocar/src/_QE/projecao_angular_momentum.py +0 -0
  26. {vasprocar-1.1.19.86 → vasprocar-1.1.19.88}/vasprocar/src/_VASP/_info.py +0 -0
  27. {vasprocar-1.1.19.86 → vasprocar-1.1.19.88}/vasprocar/src/_VASP/_info_b.py +0 -0
  28. {vasprocar-1.1.19.86 → vasprocar-1.1.19.88}/vasprocar/src/_VASP/_label.py +0 -0
  29. {vasprocar-1.1.19.86 → vasprocar-1.1.19.88}/vasprocar/src/_VASP/_nscf.py +0 -0
  30. {vasprocar-1.1.19.86 → vasprocar-1.1.19.88}/vasprocar/src/_VASP/_var_kpoints.py +0 -0
  31. {vasprocar-1.1.19.86 → vasprocar-1.1.19.88}/vasprocar/src/_VASP/chgcar.py +0 -0
  32. {vasprocar-1.1.19.86 → vasprocar-1.1.19.88}/vasprocar/src/_VASP/contcar_info.py +0 -0
  33. {vasprocar-1.1.19.86 → vasprocar-1.1.19.88}/vasprocar/src/_VASP/dielectric_function.py +0 -0
  34. {vasprocar-1.1.19.86 → vasprocar-1.1.19.88}/vasprocar/src/_VASP/dos_pdos_ldos.py +0 -0
  35. {vasprocar-1.1.19.86 → vasprocar-1.1.19.88}/vasprocar/src/_VASP/dos_pdos_ldos_[polarizado].py +0 -0
  36. {vasprocar-1.1.19.86 → vasprocar-1.1.19.88}/vasprocar/src/_VASP/kpoints_2D_3D.py +0 -0
  37. {vasprocar-1.1.19.86 → vasprocar-1.1.19.88}/vasprocar/src/_VASP/parchg.py +0 -0
  38. {vasprocar-1.1.19.86 → vasprocar-1.1.19.88}/vasprocar/src/_VASP/poscar_replace.py +0 -0
  39. {vasprocar-1.1.19.86 → vasprocar-1.1.19.88}/vasprocar/src/_VASP/postar_combination.py +0 -0
  40. {vasprocar-1.1.19.86 → vasprocar-1.1.19.88}/vasprocar/src/_VASP/potencial.py +0 -0
  41. {vasprocar-1.1.19.86 → vasprocar-1.1.19.88}/vasprocar/src/_VASP/wave_function.py +0 -0
  42. {vasprocar-1.1.19.86 → vasprocar-1.1.19.88}/vasprocar/src/_dft.py +0 -0
  43. {vasprocar-1.1.19.86 → vasprocar-1.1.19.88}/vasprocar/src/_dft2kp.py +0 -0
  44. {vasprocar-1.1.19.86 → vasprocar-1.1.19.88}/vasprocar/src/_loop.py +0 -0
  45. {vasprocar-1.1.19.86 → vasprocar-1.1.19.88}/vasprocar/src/_settings.py +0 -0
  46. {vasprocar-1.1.19.86 → vasprocar-1.1.19.88}/vasprocar/src/_update.py +0 -0
  47. {vasprocar-1.1.19.86 → vasprocar-1.1.19.88}/vasprocar/src/bandas_2D.py +0 -0
  48. {vasprocar-1.1.19.86 → vasprocar-1.1.19.88}/vasprocar/src/bandas_3D.py +0 -0
  49. {vasprocar-1.1.19.86 → vasprocar-1.1.19.88}/vasprocar/src/bandas_4D.py +0 -0
  50. {vasprocar-1.1.19.86 → vasprocar-1.1.19.88}/vasprocar/src/correction_file.py +0 -0
  51. {vasprocar-1.1.19.86 → vasprocar-1.1.19.88}/vasprocar/src/etc/BibTeX.dat +0 -0
  52. {vasprocar-1.1.19.86 → vasprocar-1.1.19.88}/vasprocar/src/etc/DOI.png +0 -0
  53. {vasprocar-1.1.19.86 → vasprocar-1.1.19.88}/vasprocar/src/etc/Greek_alphabet.jpg +0 -0
  54. {vasprocar-1.1.19.86 → vasprocar-1.1.19.88}/vasprocar/src/fermi_surface.py +0 -0
  55. {vasprocar-1.1.19.86 → vasprocar-1.1.19.88}/vasprocar/src/inputs/input.vasprocar.bands +0 -0
  56. {vasprocar-1.1.19.86 → vasprocar-1.1.19.88}/vasprocar/src/inputs/input.vasprocar.chgcar +0 -0
  57. {vasprocar-1.1.19.86 → vasprocar-1.1.19.88}/vasprocar/src/inputs/input.vasprocar.dos +0 -0
  58. {vasprocar-1.1.19.86 → vasprocar-1.1.19.88}/vasprocar/src/inputs/input.vasprocar.location +0 -0
  59. {vasprocar-1.1.19.86 → vasprocar-1.1.19.88}/vasprocar/src/inputs/input.vasprocar.locpot +0 -0
  60. {vasprocar-1.1.19.86 → vasprocar-1.1.19.88}/vasprocar/src/inputs/input.vasprocar.orbitals +0 -0
  61. {vasprocar-1.1.19.86 → vasprocar-1.1.19.88}/vasprocar/src/inputs/input.vasprocar.spin +0 -0
  62. {vasprocar-1.1.19.86 → vasprocar-1.1.19.88}/vasprocar/src/inputs/inputs.py +0 -0
  63. {vasprocar-1.1.19.86 → vasprocar-1.1.19.88}/vasprocar/src/inputs/inputs_files.py +0 -0
  64. {vasprocar-1.1.19.86 → vasprocar-1.1.19.88}/vasprocar/src/level_countour.py +0 -0
  65. {vasprocar-1.1.19.86 → vasprocar-1.1.19.88}/vasprocar/src/orbital_texture.py +0 -0
  66. {vasprocar-1.1.19.86 → vasprocar-1.1.19.88}/vasprocar/src/orbital_texture_vector.py +0 -0
  67. {vasprocar-1.1.19.86 → vasprocar-1.1.19.88}/vasprocar/src/plot/Grace/plot_bandas_2D.py +0 -0
  68. {vasprocar-1.1.19.86 → vasprocar-1.1.19.88}/vasprocar/src/plot/Grace/plot_chgcar.py +0 -0
  69. {vasprocar-1.1.19.86 → vasprocar-1.1.19.88}/vasprocar/src/plot/Grace/plot_dielectric_function.py +0 -0
  70. {vasprocar-1.1.19.86 → vasprocar-1.1.19.88}/vasprocar/src/plot/Grace/plot_dos_pdos_ldos.py +0 -0
  71. {vasprocar-1.1.19.86 → vasprocar-1.1.19.88}/vasprocar/src/plot/Grace/plot_dos_pdos_ldos_[polarizado].py +0 -0
  72. {vasprocar-1.1.19.86 → vasprocar-1.1.19.88}/vasprocar/src/plot/Grace/plot_dos_pdos_ldos_[polarizado_delta].py +0 -0
  73. {vasprocar-1.1.19.86 → vasprocar-1.1.19.88}/vasprocar/src/plot/Grace/plot_parchg.py +0 -0
  74. {vasprocar-1.1.19.86 → vasprocar-1.1.19.88}/vasprocar/src/plot/Grace/plot_potencial.py +0 -0
  75. {vasprocar-1.1.19.86 → vasprocar-1.1.19.88}/vasprocar/src/plot/Grace/plot_projecao_localizacao.py +0 -0
  76. {vasprocar-1.1.19.86 → vasprocar-1.1.19.88}/vasprocar/src/plot/Grace/plot_projecao_orbitais.py +0 -0
  77. {vasprocar-1.1.19.86 → vasprocar-1.1.19.88}/vasprocar/src/plot/Grace/plot_projecao_psi.py +0 -0
  78. {vasprocar-1.1.19.86 → vasprocar-1.1.19.88}/vasprocar/src/plot/Grace/plot_projecao_spin.py +0 -0
  79. {vasprocar-1.1.19.86 → vasprocar-1.1.19.88}/vasprocar/src/plot/Grace/plot_wave_function.py +0 -0
  80. {vasprocar-1.1.19.86 → vasprocar-1.1.19.88}/vasprocar/src/plot/_plot_settings.py +0 -0
  81. {vasprocar-1.1.19.86 → vasprocar-1.1.19.88}/vasprocar/src/plot/plot_bandas_2D.py +0 -0
  82. {vasprocar-1.1.19.86 → vasprocar-1.1.19.88}/vasprocar/src/plot/plot_bandas_3D_matplotlib.py +0 -0
  83. {vasprocar-1.1.19.86 → vasprocar-1.1.19.88}/vasprocar/src/plot/plot_bandas_3D_plotly.py +0 -0
  84. {vasprocar-1.1.19.86 → vasprocar-1.1.19.88}/vasprocar/src/plot/plot_bandas_4D_plotly.py +0 -0
  85. {vasprocar-1.1.19.86 → vasprocar-1.1.19.88}/vasprocar/src/plot/plot_chgcar.py +0 -0
  86. {vasprocar-1.1.19.86 → vasprocar-1.1.19.88}/vasprocar/src/plot/plot_dielectric_function.py +0 -0
  87. {vasprocar-1.1.19.86 → vasprocar-1.1.19.88}/vasprocar/src/plot/plot_dos_pdos_ldos.py +0 -0
  88. {vasprocar-1.1.19.86 → vasprocar-1.1.19.88}/vasprocar/src/plot/plot_dos_pdos_ldos_[polarizado].py +0 -0
  89. {vasprocar-1.1.19.86 → vasprocar-1.1.19.88}/vasprocar/src/plot/plot_fermi_surface.py +0 -0
  90. {vasprocar-1.1.19.86 → vasprocar-1.1.19.88}/vasprocar/src/plot/plot_level_countour.py +0 -0
  91. {vasprocar-1.1.19.86 → vasprocar-1.1.19.88}/vasprocar/src/plot/plot_orbital_texture.py +0 -0
  92. {vasprocar-1.1.19.86 → vasprocar-1.1.19.88}/vasprocar/src/plot/plot_orbital_texture_vector.py +0 -0
  93. {vasprocar-1.1.19.86 → vasprocar-1.1.19.88}/vasprocar/src/plot/plot_parchg.py +0 -0
  94. {vasprocar-1.1.19.86 → vasprocar-1.1.19.88}/vasprocar/src/plot/plot_potencial.py +0 -0
  95. {vasprocar-1.1.19.86 → vasprocar-1.1.19.88}/vasprocar/src/plot/plot_projecao_localizacao.py +0 -0
  96. {vasprocar-1.1.19.86 → vasprocar-1.1.19.88}/vasprocar/src/plot/plot_projecao_orbitais.py +0 -0
  97. {vasprocar-1.1.19.86 → vasprocar-1.1.19.88}/vasprocar/src/plot/plot_projecao_psi.py +0 -0
  98. {vasprocar-1.1.19.86 → vasprocar-1.1.19.88}/vasprocar/src/plot/plot_projecao_spin.py +0 -0
  99. {vasprocar-1.1.19.86 → vasprocar-1.1.19.88}/vasprocar/src/plot/plot_spin_texture_2D.py +0 -0
  100. {vasprocar-1.1.19.86 → vasprocar-1.1.19.88}/vasprocar/src/plot/plot_spin_texture_3D.py +0 -0
  101. {vasprocar-1.1.19.86 → vasprocar-1.1.19.88}/vasprocar/src/plot/plot_spin_texture_4D.py +0 -0
  102. {vasprocar-1.1.19.86 → vasprocar-1.1.19.88}/vasprocar/src/plot/plot_spin_texture_4D_[iso].py +0 -0
  103. {vasprocar-1.1.19.86 → vasprocar-1.1.19.88}/vasprocar/src/plot/plot_spin_texture_contour.py +0 -0
  104. {vasprocar-1.1.19.86 → vasprocar-1.1.19.88}/vasprocar/src/plot/plot_spin_texture_contour_video.py +0 -0
  105. {vasprocar-1.1.19.86 → vasprocar-1.1.19.88}/vasprocar/src/plot/plot_wave_function.py +0 -0
  106. {vasprocar-1.1.19.86 → vasprocar-1.1.19.88}/vasprocar/src/projecao_localizacao.py +0 -0
  107. {vasprocar-1.1.19.86 → vasprocar-1.1.19.88}/vasprocar/src/projecao_orbitais.py +0 -0
  108. {vasprocar-1.1.19.86 → vasprocar-1.1.19.88}/vasprocar/src/projecao_psi.py +0 -0
  109. {vasprocar-1.1.19.86 → vasprocar-1.1.19.88}/vasprocar/src/projecao_spin.py +0 -0
  110. {vasprocar-1.1.19.86 → vasprocar-1.1.19.88}/vasprocar/src/spin_texture.py +0 -0
  111. {vasprocar-1.1.19.86 → vasprocar-1.1.19.88}/vasprocar/src/spin_texture_contour.py +0 -0
  112. {vasprocar-1.1.19.86 → vasprocar-1.1.19.88}/vasprocar/src/spin_texture_contour_video.py +0 -0
  113. {vasprocar-1.1.19.86 → vasprocar-1.1.19.88}/vasprocar.egg-info/SOURCES.txt +0 -0
  114. {vasprocar-1.1.19.86 → vasprocar-1.1.19.88}/vasprocar.egg-info/dependency_links.txt +0 -0
  115. {vasprocar-1.1.19.86 → vasprocar-1.1.19.88}/vasprocar.egg-info/entry_points.txt +0 -0
  116. {vasprocar-1.1.19.86 → vasprocar-1.1.19.88}/vasprocar.egg-info/requires.txt +0 -0
  117. {vasprocar-1.1.19.86 → vasprocar-1.1.19.88}/vasprocar.egg-info/top_level.txt +0 -0
{vasprocar-1.1.19.86 → vasprocar-1.1.19.88}/PKG-INFO RENAMED
@@ -1,6 +1,6 @@
1
1
  Metadata-Version: 2.1
2
2
  Name: vasprocar
3
- Version: 1.1.19.86
3
+ Version: 1.1.19.88
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-1.1.19.86 → vasprocar-1.1.19.88}/setup.py RENAMED
@@ -6,7 +6,7 @@ from typing import Optional
6
6
 
7
7
  setup(
8
8
  name = "vasprocar",
9
- version = "1.1.19.86",
9
+ version = "1.1.19.88",
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-1.1.19.86 → vasprocar-1.1.19.88}/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 = '1.1.19.86'
17
+ version = '1.1.19.88'
18
18
  VASProcar_name = 'VASProcar version ' + version
19
19
 
20
20
  url_1 = 'https://pypi.org/project/vasprocar'
{vasprocar-1.1.19.86 → vasprocar-1.1.19.88}/vasprocar/src/_VASP/contribuicao.py RENAMED
@@ -645,7 +645,8 @@ for wp in range(1, (n_procar+1)):
645
645
  interp_func = interp1d(vector_x, vector_y, kind='linear')
646
646
  y_interp = contrib_perc
647
647
  x_interp = interp_func(y_interp)
648
- vector_length.append(x_interp)
648
+ vector_length.append(float(x_interp[0]))
649
+ print(vector_length)
649
650
  p_length[n_point_k][Band] = abs(max(vector_length) -min(vector_length))
650
651
  #----------------------------------------
651
652
 
{vasprocar-1.1.19.86 → vasprocar-1.1.19.88}/vasprocar.egg-info/PKG-INFO RENAMED
@@ -1,6 +1,6 @@
1
1
  Metadata-Version: 2.1
2
2
  Name: vasprocar
3
- Version: 1.1.19.86
3
+ Version: 1.1.19.88
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-1.1.19.86 → vasprocar-1.1.19.88}/LICENSE.txt RENAMED
File without changes
{vasprocar-1.1.19.86 → vasprocar-1.1.19.88}/README.md RENAMED
File without changes
{vasprocar-1.1.19.86 → vasprocar-1.1.19.88}/setup.cfg RENAMED
File without changes