vasprocar 1.1.19.114__tar.gz → 1.1.19.116__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 (118) hide show
  1. {vasprocar-1.1.19.114/vasprocar.egg-info → vasprocar-1.1.19.116}/PKG-INFO +1 -1
  2. {vasprocar-1.1.19.114 → vasprocar-1.1.19.116}/setup.py +1 -1
  3. {vasprocar-1.1.19.114 → vasprocar-1.1.19.116}/vasprocar/__main__.py +1 -1
  4. {vasprocar-1.1.19.114 → vasprocar-1.1.19.116}/vasprocar/src/_VASP/_info.py +1 -2
  5. {vasprocar-1.1.19.114 → vasprocar-1.1.19.116/vasprocar.egg-info}/PKG-INFO +1 -1
  6. {vasprocar-1.1.19.114 → vasprocar-1.1.19.116}/LICENSE.txt +0 -0
  7. {vasprocar-1.1.19.114 → vasprocar-1.1.19.116}/README.md +0 -0
  8. {vasprocar-1.1.19.114 → vasprocar-1.1.19.116}/setup.cfg +0 -0
  9. {vasprocar-1.1.19.114 → vasprocar-1.1.19.116}/vasprocar/__init__.py +0 -0
  10. {vasprocar-1.1.19.114 → vasprocar-1.1.19.116}/vasprocar/src/_QE/_info.py +0 -0
  11. {vasprocar-1.1.19.114 → vasprocar-1.1.19.116}/vasprocar/src/_QE/_info_b.py +0 -0
  12. {vasprocar-1.1.19.114 → vasprocar-1.1.19.116}/vasprocar/src/_QE/_label.py +0 -0
  13. {vasprocar-1.1.19.114 → vasprocar-1.1.19.116}/vasprocar/src/_QE/_nscf.py +0 -0
  14. {vasprocar-1.1.19.114 → vasprocar-1.1.19.116}/vasprocar/src/_QE/_var_kpoints.py +0 -0
  15. {vasprocar-1.1.19.114 → vasprocar-1.1.19.116}/vasprocar/src/_QE/angular_momentum_plot/plot_projecao_angular_momentum.py +0 -0
  16. {vasprocar-1.1.19.114 → vasprocar-1.1.19.116}/vasprocar/src/_QE/angular_momentum_plot/plot_projecao_angular_momentum_grace.py +0 -0
  17. {vasprocar-1.1.19.114 → vasprocar-1.1.19.116}/vasprocar/src/_QE/contribuicao.py +0 -0
  18. {vasprocar-1.1.19.114 → vasprocar-1.1.19.116}/vasprocar/src/_QE/dos_pdos_ldos.py +0 -0
  19. {vasprocar-1.1.19.114 → vasprocar-1.1.19.116}/vasprocar/src/_QE/dos_plot/Grace/plot_dos_pdos_ldos.py +0 -0
  20. {vasprocar-1.1.19.114 → vasprocar-1.1.19.116}/vasprocar/src/_QE/dos_plot/Grace/plot_dos_pdos_ldos_[polarizado].py +0 -0
  21. {vasprocar-1.1.19.114 → vasprocar-1.1.19.116}/vasprocar/src/_QE/dos_plot/Grace/plot_dos_pdos_ldos_[polarizado_delta].py +0 -0
  22. {vasprocar-1.1.19.114 → vasprocar-1.1.19.116}/vasprocar/src/_QE/dos_plot/plot_dos_pdos_ldos.py +0 -0
  23. {vasprocar-1.1.19.114 → vasprocar-1.1.19.116}/vasprocar/src/_QE/dos_plot/plot_dos_pdos_ldos_[polarizado].py +0 -0
  24. {vasprocar-1.1.19.114 → vasprocar-1.1.19.116}/vasprocar/src/_QE/kpoints_2D_3D.py +0 -0
  25. {vasprocar-1.1.19.114 → vasprocar-1.1.19.116}/vasprocar/src/_QE/projecao_angular_momentum.py +0 -0
  26. {vasprocar-1.1.19.114 → vasprocar-1.1.19.116}/vasprocar/src/_VASP/_info_b.py +0 -0
  27. {vasprocar-1.1.19.114 → vasprocar-1.1.19.116}/vasprocar/src/_VASP/_label.py +0 -0
  28. {vasprocar-1.1.19.114 → vasprocar-1.1.19.116}/vasprocar/src/_VASP/_nscf.py +0 -0
  29. {vasprocar-1.1.19.114 → vasprocar-1.1.19.116}/vasprocar/src/_VASP/_var_kpoints.py +0 -0
  30. {vasprocar-1.1.19.114 → vasprocar-1.1.19.116}/vasprocar/src/_VASP/chgcar.py +0 -0
  31. {vasprocar-1.1.19.114 → vasprocar-1.1.19.116}/vasprocar/src/_VASP/contcar_info.py +0 -0
  32. {vasprocar-1.1.19.114 → vasprocar-1.1.19.116}/vasprocar/src/_VASP/contribuicao.py +0 -0
  33. {vasprocar-1.1.19.114 → vasprocar-1.1.19.116}/vasprocar/src/_VASP/dielectric_function.py +0 -0
  34. {vasprocar-1.1.19.114 → vasprocar-1.1.19.116}/vasprocar/src/_VASP/dos_pdos_ldos.py +0 -0
  35. {vasprocar-1.1.19.114 → vasprocar-1.1.19.116}/vasprocar/src/_VASP/dos_pdos_ldos_[polarizado].py +0 -0
  36. {vasprocar-1.1.19.114 → vasprocar-1.1.19.116}/vasprocar/src/_VASP/kpoints_2D_3D.py +0 -0
  37. {vasprocar-1.1.19.114 → vasprocar-1.1.19.116}/vasprocar/src/_VASP/parchg.py +0 -0
  38. {vasprocar-1.1.19.114 → vasprocar-1.1.19.116}/vasprocar/src/_VASP/poscar_replace.py +0 -0
  39. {vasprocar-1.1.19.114 → vasprocar-1.1.19.116}/vasprocar/src/_VASP/postar_combination.py +0 -0
  40. {vasprocar-1.1.19.114 → vasprocar-1.1.19.116}/vasprocar/src/_VASP/potencial.py +0 -0
  41. {vasprocar-1.1.19.114 → vasprocar-1.1.19.116}/vasprocar/src/_VASP/wave_function.py +0 -0
  42. {vasprocar-1.1.19.114 → vasprocar-1.1.19.116}/vasprocar/src/_dft.py +0 -0
  43. {vasprocar-1.1.19.114 → vasprocar-1.1.19.116}/vasprocar/src/_dft2kp.py +0 -0
  44. {vasprocar-1.1.19.114 → vasprocar-1.1.19.116}/vasprocar/src/_loop.py +0 -0
  45. {vasprocar-1.1.19.114 → vasprocar-1.1.19.116}/vasprocar/src/_settings.py +0 -0
  46. {vasprocar-1.1.19.114 → vasprocar-1.1.19.116}/vasprocar/src/_update.py +0 -0
  47. {vasprocar-1.1.19.114 → vasprocar-1.1.19.116}/vasprocar/src/bandas_2D.py +0 -0
  48. {vasprocar-1.1.19.114 → vasprocar-1.1.19.116}/vasprocar/src/bandas_3D.py +0 -0
  49. {vasprocar-1.1.19.114 → vasprocar-1.1.19.116}/vasprocar/src/bandas_4D.py +0 -0
  50. {vasprocar-1.1.19.114 → vasprocar-1.1.19.116}/vasprocar/src/correction_file.py +0 -0
  51. {vasprocar-1.1.19.114 → vasprocar-1.1.19.116}/vasprocar/src/etc/BibTeX.dat +0 -0
  52. {vasprocar-1.1.19.114 → vasprocar-1.1.19.116}/vasprocar/src/etc/DOI.png +0 -0
  53. {vasprocar-1.1.19.114 → vasprocar-1.1.19.116}/vasprocar/src/etc/Greek_alphabet.jpg +0 -0
  54. {vasprocar-1.1.19.114 → vasprocar-1.1.19.116}/vasprocar/src/fermi_surface.py +0 -0
  55. {vasprocar-1.1.19.114 → vasprocar-1.1.19.116}/vasprocar/src/inputs/input.vasprocar.bands +0 -0
  56. {vasprocar-1.1.19.114 → vasprocar-1.1.19.116}/vasprocar/src/inputs/input.vasprocar.chgcar +0 -0
  57. {vasprocar-1.1.19.114 → vasprocar-1.1.19.116}/vasprocar/src/inputs/input.vasprocar.dos +0 -0
  58. {vasprocar-1.1.19.114 → vasprocar-1.1.19.116}/vasprocar/src/inputs/input.vasprocar.location +0 -0
  59. {vasprocar-1.1.19.114 → vasprocar-1.1.19.116}/vasprocar/src/inputs/input.vasprocar.locpot +0 -0
  60. {vasprocar-1.1.19.114 → vasprocar-1.1.19.116}/vasprocar/src/inputs/input.vasprocar.orbitals +0 -0
  61. {vasprocar-1.1.19.114 → vasprocar-1.1.19.116}/vasprocar/src/inputs/input.vasprocar.spin +0 -0
  62. {vasprocar-1.1.19.114 → vasprocar-1.1.19.116}/vasprocar/src/inputs/input.vasprocar.spin_video +0 -0
  63. {vasprocar-1.1.19.114 → vasprocar-1.1.19.116}/vasprocar/src/inputs/inputs.py +0 -0
  64. {vasprocar-1.1.19.114 → vasprocar-1.1.19.116}/vasprocar/src/inputs/inputs_files.py +0 -0
  65. {vasprocar-1.1.19.114 → vasprocar-1.1.19.116}/vasprocar/src/level_countour.py +0 -0
  66. {vasprocar-1.1.19.114 → vasprocar-1.1.19.116}/vasprocar/src/orbital_texture.py +0 -0
  67. {vasprocar-1.1.19.114 → vasprocar-1.1.19.116}/vasprocar/src/orbital_texture_vector.py +0 -0
  68. {vasprocar-1.1.19.114 → vasprocar-1.1.19.116}/vasprocar/src/plot/Grace/plot_bandas_2D.py +0 -0
  69. {vasprocar-1.1.19.114 → vasprocar-1.1.19.116}/vasprocar/src/plot/Grace/plot_chgcar.py +0 -0
  70. {vasprocar-1.1.19.114 → vasprocar-1.1.19.116}/vasprocar/src/plot/Grace/plot_dielectric_function.py +0 -0
  71. {vasprocar-1.1.19.114 → vasprocar-1.1.19.116}/vasprocar/src/plot/Grace/plot_dos_pdos_ldos.py +0 -0
  72. {vasprocar-1.1.19.114 → vasprocar-1.1.19.116}/vasprocar/src/plot/Grace/plot_dos_pdos_ldos_[polarizado].py +0 -0
  73. {vasprocar-1.1.19.114 → vasprocar-1.1.19.116}/vasprocar/src/plot/Grace/plot_dos_pdos_ldos_[polarizado_delta].py +0 -0
  74. {vasprocar-1.1.19.114 → vasprocar-1.1.19.116}/vasprocar/src/plot/Grace/plot_parchg.py +0 -0
  75. {vasprocar-1.1.19.114 → vasprocar-1.1.19.116}/vasprocar/src/plot/Grace/plot_potencial.py +0 -0
  76. {vasprocar-1.1.19.114 → vasprocar-1.1.19.116}/vasprocar/src/plot/Grace/plot_projecao_localizacao.py +0 -0
  77. {vasprocar-1.1.19.114 → vasprocar-1.1.19.116}/vasprocar/src/plot/Grace/plot_projecao_orbitais.py +0 -0
  78. {vasprocar-1.1.19.114 → vasprocar-1.1.19.116}/vasprocar/src/plot/Grace/plot_projecao_psi.py +0 -0
  79. {vasprocar-1.1.19.114 → vasprocar-1.1.19.116}/vasprocar/src/plot/Grace/plot_projecao_spin.py +0 -0
  80. {vasprocar-1.1.19.114 → vasprocar-1.1.19.116}/vasprocar/src/plot/Grace/plot_wave_function.py +0 -0
  81. {vasprocar-1.1.19.114 → vasprocar-1.1.19.116}/vasprocar/src/plot/_plot_settings.py +0 -0
  82. {vasprocar-1.1.19.114 → vasprocar-1.1.19.116}/vasprocar/src/plot/plot_bandas_2D.py +0 -0
  83. {vasprocar-1.1.19.114 → vasprocar-1.1.19.116}/vasprocar/src/plot/plot_bandas_3D_matplotlib.py +0 -0
  84. {vasprocar-1.1.19.114 → vasprocar-1.1.19.116}/vasprocar/src/plot/plot_bandas_3D_plotly.py +0 -0
  85. {vasprocar-1.1.19.114 → vasprocar-1.1.19.116}/vasprocar/src/plot/plot_bandas_4D_plotly.py +0 -0
  86. {vasprocar-1.1.19.114 → vasprocar-1.1.19.116}/vasprocar/src/plot/plot_chgcar.py +0 -0
  87. {vasprocar-1.1.19.114 → vasprocar-1.1.19.116}/vasprocar/src/plot/plot_dielectric_function.py +0 -0
  88. {vasprocar-1.1.19.114 → vasprocar-1.1.19.116}/vasprocar/src/plot/plot_dos_pdos_ldos.py +0 -0
  89. {vasprocar-1.1.19.114 → vasprocar-1.1.19.116}/vasprocar/src/plot/plot_dos_pdos_ldos_[polarizado].py +0 -0
  90. {vasprocar-1.1.19.114 → vasprocar-1.1.19.116}/vasprocar/src/plot/plot_fermi_surface.py +0 -0
  91. {vasprocar-1.1.19.114 → vasprocar-1.1.19.116}/vasprocar/src/plot/plot_level_countour.py +0 -0
  92. {vasprocar-1.1.19.114 → vasprocar-1.1.19.116}/vasprocar/src/plot/plot_orbital_texture.py +0 -0
  93. {vasprocar-1.1.19.114 → vasprocar-1.1.19.116}/vasprocar/src/plot/plot_orbital_texture_vector.py +0 -0
  94. {vasprocar-1.1.19.114 → vasprocar-1.1.19.116}/vasprocar/src/plot/plot_parchg.py +0 -0
  95. {vasprocar-1.1.19.114 → vasprocar-1.1.19.116}/vasprocar/src/plot/plot_potencial.py +0 -0
  96. {vasprocar-1.1.19.114 → vasprocar-1.1.19.116}/vasprocar/src/plot/plot_projecao_localizacao.py +0 -0
  97. {vasprocar-1.1.19.114 → vasprocar-1.1.19.116}/vasprocar/src/plot/plot_projecao_orbitais.py +0 -0
  98. {vasprocar-1.1.19.114 → vasprocar-1.1.19.116}/vasprocar/src/plot/plot_projecao_psi.py +0 -0
  99. {vasprocar-1.1.19.114 → vasprocar-1.1.19.116}/vasprocar/src/plot/plot_projecao_spin.py +0 -0
  100. {vasprocar-1.1.19.114 → vasprocar-1.1.19.116}/vasprocar/src/plot/plot_spin_texture_2D.py +0 -0
  101. {vasprocar-1.1.19.114 → vasprocar-1.1.19.116}/vasprocar/src/plot/plot_spin_texture_3D.py +0 -0
  102. {vasprocar-1.1.19.114 → vasprocar-1.1.19.116}/vasprocar/src/plot/plot_spin_texture_4D.py +0 -0
  103. {vasprocar-1.1.19.114 → vasprocar-1.1.19.116}/vasprocar/src/plot/plot_spin_texture_4D_[iso].py +0 -0
  104. {vasprocar-1.1.19.114 → vasprocar-1.1.19.116}/vasprocar/src/plot/plot_spin_texture_contour.py +0 -0
  105. {vasprocar-1.1.19.114 → vasprocar-1.1.19.116}/vasprocar/src/plot/plot_spin_texture_contour_video.py +0 -0
  106. {vasprocar-1.1.19.114 → vasprocar-1.1.19.116}/vasprocar/src/plot/plot_wave_function.py +0 -0
  107. {vasprocar-1.1.19.114 → vasprocar-1.1.19.116}/vasprocar/src/projecao_localizacao.py +0 -0
  108. {vasprocar-1.1.19.114 → vasprocar-1.1.19.116}/vasprocar/src/projecao_orbitais.py +0 -0
  109. {vasprocar-1.1.19.114 → vasprocar-1.1.19.116}/vasprocar/src/projecao_psi.py +0 -0
  110. {vasprocar-1.1.19.114 → vasprocar-1.1.19.116}/vasprocar/src/projecao_spin.py +0 -0
  111. {vasprocar-1.1.19.114 → vasprocar-1.1.19.116}/vasprocar/src/spin_texture.py +0 -0
  112. {vasprocar-1.1.19.114 → vasprocar-1.1.19.116}/vasprocar/src/spin_texture_contour.py +0 -0
  113. {vasprocar-1.1.19.114 → vasprocar-1.1.19.116}/vasprocar/src/spin_texture_contour_video.py +0 -0
  114. {vasprocar-1.1.19.114 → vasprocar-1.1.19.116}/vasprocar.egg-info/SOURCES.txt +0 -0
  115. {vasprocar-1.1.19.114 → vasprocar-1.1.19.116}/vasprocar.egg-info/dependency_links.txt +0 -0
  116. {vasprocar-1.1.19.114 → vasprocar-1.1.19.116}/vasprocar.egg-info/entry_points.txt +0 -0
  117. {vasprocar-1.1.19.114 → vasprocar-1.1.19.116}/vasprocar.egg-info/requires.txt +0 -0
  118. {vasprocar-1.1.19.114 → vasprocar-1.1.19.116}/vasprocar.egg-info/top_level.txt +0 -0
{vasprocar-1.1.19.114/vasprocar.egg-info → vasprocar-1.1.19.116}/PKG-INFO RENAMED
@@ -1,6 +1,6 @@
1
1
  Metadata-Version: 2.1
2
2
  Name: vasprocar
3
- Version: 1.1.19.114
3
+ Version: 1.1.19.116
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-1.1.19.114 → vasprocar-1.1.19.116}/setup.py RENAMED
@@ -6,7 +6,7 @@ from typing import Optional
6
6
 
7
7
  setup(
8
8
  name = "vasprocar",
9
- version = "1.1.19.114",
9
+ version = "1.1.19.116",
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-1.1.19.114 → vasprocar-1.1.19.116}/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 = '1.1.19.114'
17
+ version = '1.1.19.116'
18
18
  VASProcar_name = 'VASProcar version ' + version
19
19
 
20
20
  url_1 = 'https://pypi.org/project/vasprocar'
{vasprocar-1.1.19.114 → vasprocar-1.1.19.116}/vasprocar/src/_VASP/_info.py RENAMED
@@ -249,7 +249,6 @@ if (ispin == 2):
249
249
  number = 0
250
250
  VTemp = outcar.readline(); print(f'teste = {VTemp}')
251
251
  VTemp = outcar.readline(); print(f'teste = {VTemp}')
252
- VTemp = outcar.readline(); print(f'teste = {VTemp}')
253
252
  VTemp = outcar.readline(); print(f'teste = {VTemp}')
254
253
 
255
254
  for i in range(nk):
@@ -273,7 +272,7 @@ if (ispin == 2):
273
272
  n1_conducao = n1
274
273
  kp2 = number
275
274
  GAP = (maior_n2 - menor_n2)
276
- VTemp = outcar.readline()
275
+ VTemp = outcar.readline(); print(f'teste = {VTemp}')
277
276
 
278
277
  if (n_procar == 1):
279
278
  if (n1_valencia <= nb): inform.write(f'Last band occuped = {n1_valencia}up \n')
{vasprocar-1.1.19.114 → vasprocar-1.1.19.116/vasprocar.egg-info}/PKG-INFO RENAMED
@@ -1,6 +1,6 @@
1
1
  Metadata-Version: 2.1
2
2
  Name: vasprocar
3
- Version: 1.1.19.114
3
+ Version: 1.1.19.116
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-1.1.19.114 → vasprocar-1.1.19.116}/README.md RENAMED
File without changes
{vasprocar-1.1.19.114 → vasprocar-1.1.19.116}/setup.cfg RENAMED
File without changes