SAMBA-ilum 1.1.0.120__tar.gz → 1.1.0.122__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 (72) hide show
  1. {samba_ilum-1.1.0.120/SAMBA_ilum.egg-info → samba_ilum-1.1.0.122}/PKG-INFO +1 -7
  2. {samba_ilum-1.1.0.120 → samba_ilum-1.1.0.122/SAMBA_ilum.egg-info}/PKG-INFO +1 -7
  3. {samba_ilum-1.1.0.120 → samba_ilum-1.1.0.122}/SAMBA_ilum.egg-info/SOURCES.txt +0 -3
  4. samba_ilum-1.1.0.122/SAMBA_ilum.egg-info/entry_points.txt +2 -0
  5. samba_ilum-1.1.0.122/samba_ilum/__init__.py +5 -0
  6. samba_ilum-1.1.0.120/samba_ilum/main_code.py → samba_ilum-1.1.0.122/samba_ilum/__main__.py +1 -1
  7. {samba_ilum-1.1.0.120 → samba_ilum-1.1.0.122}/samba_ilum/src/HeteroStructure_Generator.py +2 -2
  8. samba_ilum-1.1.0.122/setup.cfg +4 -0
  9. {samba_ilum-1.1.0.120 → samba_ilum-1.1.0.122}/setup.py +4 -6
  10. samba_ilum-1.1.0.120/MANIFEST.in +0 -1
  11. samba_ilum-1.1.0.120/SAMBA_ilum.egg-info/entry_points.txt +0 -2
  12. samba_ilum-1.1.0.120/samba_ilum/__init__.py +0 -1
  13. samba_ilum-1.1.0.120/samba_ilum/__main__.py +0 -8
  14. samba_ilum-1.1.0.120/setup.cfg +0 -9
  15. {samba_ilum-1.1.0.120 → samba_ilum-1.1.0.122}/LICENSE.txt +0 -0
  16. {samba_ilum-1.1.0.120 → samba_ilum-1.1.0.122}/README.md +0 -0
  17. {samba_ilum-1.1.0.120 → samba_ilum-1.1.0.122}/SAMBA_ilum.egg-info/dependency_links.txt +0 -0
  18. {samba_ilum-1.1.0.120 → samba_ilum-1.1.0.122}/SAMBA_ilum.egg-info/requires.txt +0 -0
  19. {samba_ilum-1.1.0.120 → samba_ilum-1.1.0.122}/SAMBA_ilum.egg-info/top_level.txt +0 -0
  20. {samba_ilum-1.1.0.120 → samba_ilum-1.1.0.122}/samba_ilum/src/BZ_2D.py +0 -0
  21. {samba_ilum-1.1.0.120 → samba_ilum-1.1.0.122}/samba_ilum/src/INPUTS/Hubbard_U_values.txt +0 -0
  22. {samba_ilum-1.1.0.120 → samba_ilum-1.1.0.122}/samba_ilum/src/INPUTS/INCAR_a-scan +0 -0
  23. {samba_ilum-1.1.0.120 → samba_ilum-1.1.0.122}/samba_ilum/src/INPUTS/INCAR_bader +0 -0
  24. {samba_ilum-1.1.0.120 → samba_ilum-1.1.0.122}/samba_ilum/src/INPUTS/INCAR_bader.SO +0 -0
  25. {samba_ilum-1.1.0.120 → samba_ilum-1.1.0.122}/samba_ilum/src/INPUTS/INCAR_bands +0 -0
  26. {samba_ilum-1.1.0.120 → samba_ilum-1.1.0.122}/samba_ilum/src/INPUTS/INCAR_bands.SO +0 -0
  27. {samba_ilum-1.1.0.120 → samba_ilum-1.1.0.122}/samba_ilum/src/INPUTS/INCAR_dos +0 -0
  28. {samba_ilum-1.1.0.120 → samba_ilum-1.1.0.122}/samba_ilum/src/INPUTS/INCAR_dos.SO +0 -0
  29. {samba_ilum-1.1.0.120 → samba_ilum-1.1.0.122}/samba_ilum/src/INPUTS/INCAR_relax +0 -0
  30. {samba_ilum-1.1.0.120 → samba_ilum-1.1.0.122}/samba_ilum/src/INPUTS/INCAR_scf +0 -0
  31. {samba_ilum-1.1.0.120 → samba_ilum-1.1.0.122}/samba_ilum/src/INPUTS/INCAR_scf.SO +0 -0
  32. {samba_ilum-1.1.0.120 → samba_ilum-1.1.0.122}/samba_ilum/src/INPUTS/INCAR_xy-scan +0 -0
  33. {samba_ilum-1.1.0.120 → samba_ilum-1.1.0.122}/samba_ilum/src/INPUTS/INCAR_xyz-scan +0 -0
  34. {samba_ilum-1.1.0.120 → samba_ilum-1.1.0.122}/samba_ilum/src/INPUTS/INCAR_z-scan +0 -0
  35. {samba_ilum-1.1.0.120 → samba_ilum-1.1.0.122}/samba_ilum/src/INPUTS/SAMBA_HeteroStructure.input +0 -0
  36. {samba_ilum-1.1.0.120 → samba_ilum-1.1.0.122}/samba_ilum/src/INPUTS/SAMBA_WorkFlow.input +0 -0
  37. {samba_ilum-1.1.0.120 → samba_ilum-1.1.0.122}/samba_ilum/src/INPUTS/inputs_VASProcar/input.vasprocar.bands +0 -0
  38. {samba_ilum-1.1.0.120 → samba_ilum-1.1.0.122}/samba_ilum/src/INPUTS/inputs_VASProcar/input.vasprocar.chgcar +0 -0
  39. {samba_ilum-1.1.0.120 → samba_ilum-1.1.0.122}/samba_ilum/src/INPUTS/inputs_VASProcar/input.vasprocar.dos +0 -0
  40. {samba_ilum-1.1.0.120 → samba_ilum-1.1.0.122}/samba_ilum/src/INPUTS/inputs_VASProcar/input.vasprocar.location +0 -0
  41. {samba_ilum-1.1.0.120 → samba_ilum-1.1.0.122}/samba_ilum/src/INPUTS/inputs_VASProcar/input.vasprocar.locpot +0 -0
  42. {samba_ilum-1.1.0.120 → samba_ilum-1.1.0.122}/samba_ilum/src/INPUTS/inputs_VASProcar/input.vasprocar.orbitals +0 -0
  43. {samba_ilum-1.1.0.120 → samba_ilum-1.1.0.122}/samba_ilum/src/INPUTS/inputs_VASProcar/input.vasprocar.spin +0 -0
  44. {samba_ilum-1.1.0.120 → samba_ilum-1.1.0.122}/samba_ilum/src/INPUTS/vdw_kernel.bindat +0 -0
  45. {samba_ilum-1.1.0.120 → samba_ilum-1.1.0.122}/samba_ilum/src/_info_pseudo.py +0 -0
  46. {samba_ilum-1.1.0.120 → samba_ilum-1.1.0.122}/samba_ilum/src/a-scan.py +0 -0
  47. {samba_ilum-1.1.0.120 → samba_ilum-1.1.0.122}/samba_ilum/src/a-scan_analysis.py +0 -0
  48. {samba_ilum-1.1.0.120 → samba_ilum-1.1.0.122}/samba_ilum/src/bader +0 -0
  49. {samba_ilum-1.1.0.120 → samba_ilum-1.1.0.122}/samba_ilum/src/bader_poscar.py +0 -0
  50. {samba_ilum-1.1.0.120 → samba_ilum-1.1.0.122}/samba_ilum/src/bader_update.py +0 -0
  51. {samba_ilum-1.1.0.120 → samba_ilum-1.1.0.122}/samba_ilum/src/cell_check.py +0 -0
  52. {samba_ilum-1.1.0.120 → samba_ilum-1.1.0.122}/samba_ilum/src/charge_transfer.py +0 -0
  53. {samba_ilum-1.1.0.120 → samba_ilum-1.1.0.122}/samba_ilum/src/chgsum.pl +0 -0
  54. {samba_ilum-1.1.0.120 → samba_ilum-1.1.0.122}/samba_ilum/src/contcar_update.py +0 -0
  55. {samba_ilum-1.1.0.120 → samba_ilum-1.1.0.122}/samba_ilum/src/data-base_json.py +0 -0
  56. {samba_ilum-1.1.0.120 → samba_ilum-1.1.0.122}/samba_ilum/src/data-base_union.py +0 -0
  57. {samba_ilum-1.1.0.120 → samba_ilum-1.1.0.122}/samba_ilum/src/energy_scan.py +0 -0
  58. {samba_ilum-1.1.0.120 → samba_ilum-1.1.0.122}/samba_ilum/src/hubbard_correction.py +0 -0
  59. {samba_ilum-1.1.0.120 → samba_ilum-1.1.0.122}/samba_ilum/src/job.py +0 -0
  60. {samba_ilum-1.1.0.120 → samba_ilum-1.1.0.122}/samba_ilum/src/kpoints.py +0 -0
  61. {samba_ilum-1.1.0.120 → samba_ilum-1.1.0.122}/samba_ilum/src/lattice_plot3d.py +0 -0
  62. {samba_ilum-1.1.0.120 → samba_ilum-1.1.0.122}/samba_ilum/src/make_files.py +0 -0
  63. {samba_ilum-1.1.0.120 → samba_ilum-1.1.0.122}/samba_ilum/src/output.py +0 -0
  64. {samba_ilum-1.1.0.120 → samba_ilum-1.1.0.122}/samba_ilum/src/poscar_fix_direct_coord.py +0 -0
  65. {samba_ilum-1.1.0.120 → samba_ilum-1.1.0.122}/samba_ilum/src/potcar.py +0 -0
  66. {samba_ilum-1.1.0.120 → samba_ilum-1.1.0.122}/samba_ilum/src/vdW_DF.py +0 -0
  67. {samba_ilum-1.1.0.120 → samba_ilum-1.1.0.122}/samba_ilum/src/xy-scan.py +0 -0
  68. {samba_ilum-1.1.0.120 → samba_ilum-1.1.0.122}/samba_ilum/src/xy-scan_analysis.py +0 -0
  69. {samba_ilum-1.1.0.120 → samba_ilum-1.1.0.122}/samba_ilum/src/xyz-scan.py +0 -0
  70. {samba_ilum-1.1.0.120 → samba_ilum-1.1.0.122}/samba_ilum/src/xyz-scan_analysis.py +0 -0
  71. {samba_ilum-1.1.0.120 → samba_ilum-1.1.0.122}/samba_ilum/src/z-scan.py +0 -0
  72. {samba_ilum-1.1.0.120 → samba_ilum-1.1.0.122}/samba_ilum/src/z-scan_analysis.py +0 -0
@@ -1,11 +1,10 @@
1
1
  Metadata-Version: 2.1
2
2
  Name: SAMBA_ilum
3
- Version: 1.1.0.120
3
+ Version: 1.1.0.122
4
4
  Summary: ...
5
5
  Author: Augusto de Lelis Araujo
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  Author-email: augusto-lelis@outlook.com
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7
  License: Closed source
8
- Description-Content-Type: text/markdown
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8
  License-File: LICENSE.txt
10
9
  Requires-Dist: matplotlib
11
10
  Requires-Dist: pymatgen
@@ -16,8 +15,3 @@ Requires-Dist: scipy
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  Requires-Dist: numpy
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  Requires-Dist: uuid
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  Requires-Dist: vasprocar
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-
20
- # SAMBA\_ilum Copyright (C) 2025 - Closed source
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-
22
- ...
23
-
@@ -1,11 +1,10 @@
1
1
  Metadata-Version: 2.1
2
2
  Name: SAMBA_ilum
3
- Version: 1.1.0.120
3
+ Version: 1.1.0.122
4
4
  Summary: ...
5
5
  Author: Augusto de Lelis Araujo
6
6
  Author-email: augusto-lelis@outlook.com
7
7
  License: Closed source
8
- Description-Content-Type: text/markdown
9
8
  License-File: LICENSE.txt
10
9
  Requires-Dist: matplotlib
11
10
  Requires-Dist: pymatgen
@@ -16,8 +15,3 @@ Requires-Dist: scipy
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  Requires-Dist: numpy
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  Requires-Dist: uuid
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  Requires-Dist: vasprocar
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-
20
- # SAMBA\_ilum Copyright (C) 2025 - Closed source
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-
22
- ...
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-
@@ -1,7 +1,5 @@
1
1
  LICENSE.txt
2
- MANIFEST.in
3
2
  README.md
4
- setup.cfg
5
3
  setup.py
6
4
  SAMBA_ilum.egg-info/PKG-INFO
7
5
  SAMBA_ilum.egg-info/SOURCES.txt
@@ -11,7 +9,6 @@ SAMBA_ilum.egg-info/requires.txt
11
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  SAMBA_ilum.egg-info/top_level.txt
12
10
  samba_ilum/__init__.py
13
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  samba_ilum/__main__.py
14
- samba_ilum/main_code.py
15
12
  samba_ilum/src/BZ_2D.py
16
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  samba_ilum/src/HeteroStructure_Generator.py
17
14
  samba_ilum/src/_info_pseudo.py
@@ -0,0 +1,2 @@
1
+ [console_scripts]
2
+ samba_ilum = samba_ilum:main
@@ -0,0 +1,5 @@
1
+ # SAMBA_ilum Copyright (C) 2025 - Closed source
2
+
3
+
4
+
5
+
@@ -16,7 +16,7 @@ dir_samba = os.path.dirname(os.path.realpath(__file__))
16
16
  print(f'{dir_samba}')
17
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  #--------------------
18
18
 
19
- version = '1.1.0.120'
19
+ version = '1.1.0.122'
20
20
 
21
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  print(" ")
22
22
  print("=============================================================")
@@ -270,7 +270,7 @@ for k in range(n_Lattice):
270
270
  # label_material[k] += str(VTemp1[i]) + str(VTemp2[i])
271
271
  label_material[k] += str(VTemp1[i])
272
272
  if (i < (len(VTemp1) -1)): label_material[k] += '_'
273
- label_htstructure += label_material[k]
273
+ # label_htstructure += label_material[k]
274
274
  if (k < (n_Lattice -1)): label_htstructure += '+'
275
275
  #------------------------------------------------
276
276
  VTemp = poscar.readline()
@@ -402,7 +402,7 @@ for k in range(n_Lattice):
402
402
  bar = '#' * filled_length + '-' * (bar_length - filled_length)
403
403
  print(f'\rProgress: |{bar}| {porc:.1f}%', end="")
404
404
  sys.stdout.flush()
405
- temp += 1 # Atualiza a cada 1%
405
+ temp += 1 # updates every 1%
406
406
 
407
407
  #------------------------------------------------------------------------------
408
408
  v1x = float(vx[i]); v1y = float(vy[i]); v1z = float(vz[i]); d1 = float(dist[i])
@@ -0,0 +1,4 @@
1
+ [egg_info]
2
+ tag_build =
3
+ tag_date = 0
4
+
@@ -6,12 +6,10 @@ import json
6
6
 
7
7
  setup(
8
8
  name = "SAMBA_ilum",
9
- version = "1.1.0.120",
10
- packages=['samba_ilum', 'samba_ilum.src'],
11
- include_package_data=True,
12
- entry_points={'console_scripts': ['samba_ilum = samba_ilum.__main__:main']},
9
+ version = "1.1.0.122",
10
+ entry_points={'console_scripts': ['samba_ilum = samba_ilum:main']},
13
11
  description = "...",
14
- author = "Augusto de Lelis Araujo",
12
+ author = "Augusto de Lelis Araujo",
15
13
  author_email = "augusto-lelis@outlook.com",
16
14
  license = "Closed source",
17
15
  install_requires=['matplotlib',
@@ -23,7 +21,7 @@ setup(
23
21
  'numpy',
24
22
  'uuid',
25
23
  'vasprocar'],
26
- package_data={'samba_ilum': ['*.dat', '*.png', '*.jpg', '*']},
24
+ package_data={"": ['*.dat', '*.png', '*.jpg', '*']},
27
25
  )
28
26
 
29
27
  # python3 -m pip install --upgrade twine
@@ -1 +0,0 @@
1
- recursive-include samba_ilum/src *
@@ -1,2 +0,0 @@
1
- [console_scripts]
2
- samba_ilum = samba_ilum.__main__:main
@@ -1 +0,0 @@
1
- # SAMBA_ilum Copyright (C) 2025 - Closed source
@@ -1,8 +0,0 @@
1
- # SAMBA_ilum Copyright (C) 2025 - Closed source
2
-
3
- def main():
4
- import os
5
- path_code = os.path.dirname(os.path.realpath(__file__))
6
- exec(open(path_code + '/main_code.py').read())
7
- if __name__ == '__main__':
8
- main()
@@ -1,9 +0,0 @@
1
- [metadata]
2
- long_description = file: README.md
3
- long_description_content_type = text/markdown
4
- license-file = LICENSE.txt
5
-
6
- [egg_info]
7
- tag_build =
8
- tag_date = 0
9
-
File without changes