SAMBA-ilum 1.1.0.101__tar.gz → 1.1.0.102__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 (69) hide show
  1. {samba_ilum-1.1.0.101 → samba_ilum-1.1.0.102}/PKG-INFO +1 -1
  2. {samba_ilum-1.1.0.101 → samba_ilum-1.1.0.102}/SAMBA_ilum.egg-info/PKG-INFO +1 -1
  3. {samba_ilum-1.1.0.101 → samba_ilum-1.1.0.102}/samba_ilum/__main__.py +1 -1
  4. {samba_ilum-1.1.0.101 → samba_ilum-1.1.0.102}/samba_ilum/src/HeteroStructure_Generator.py +9 -9
  5. {samba_ilum-1.1.0.101 → samba_ilum-1.1.0.102}/setup.py +1 -1
  6. {samba_ilum-1.1.0.101 → samba_ilum-1.1.0.102}/LICENSE.txt +0 -0
  7. {samba_ilum-1.1.0.101 → samba_ilum-1.1.0.102}/README.md +0 -0
  8. {samba_ilum-1.1.0.101 → samba_ilum-1.1.0.102}/SAMBA_ilum.egg-info/SOURCES.txt +0 -0
  9. {samba_ilum-1.1.0.101 → samba_ilum-1.1.0.102}/SAMBA_ilum.egg-info/dependency_links.txt +0 -0
  10. {samba_ilum-1.1.0.101 → samba_ilum-1.1.0.102}/SAMBA_ilum.egg-info/entry_points.txt +0 -0
  11. {samba_ilum-1.1.0.101 → samba_ilum-1.1.0.102}/SAMBA_ilum.egg-info/requires.txt +0 -0
  12. {samba_ilum-1.1.0.101 → samba_ilum-1.1.0.102}/SAMBA_ilum.egg-info/top_level.txt +0 -0
  13. {samba_ilum-1.1.0.101 → samba_ilum-1.1.0.102}/samba_ilum/__init__.py +0 -0
  14. {samba_ilum-1.1.0.101 → samba_ilum-1.1.0.102}/samba_ilum/src/BZ_2D.py +0 -0
  15. {samba_ilum-1.1.0.101 → samba_ilum-1.1.0.102}/samba_ilum/src/HeteroStructure_Generator_Backup_001.py +0 -0
  16. {samba_ilum-1.1.0.101 → samba_ilum-1.1.0.102}/samba_ilum/src/HeteroStructure_Generator_OLD.py +0 -0
  17. {samba_ilum-1.1.0.101 → samba_ilum-1.1.0.102}/samba_ilum/src/INPUTS/Hubbard_U_values.txt +0 -0
  18. {samba_ilum-1.1.0.101 → samba_ilum-1.1.0.102}/samba_ilum/src/INPUTS/INCAR_a-scan +0 -0
  19. {samba_ilum-1.1.0.101 → samba_ilum-1.1.0.102}/samba_ilum/src/INPUTS/INCAR_bader +0 -0
  20. {samba_ilum-1.1.0.101 → samba_ilum-1.1.0.102}/samba_ilum/src/INPUTS/INCAR_bader.SO +0 -0
  21. {samba_ilum-1.1.0.101 → samba_ilum-1.1.0.102}/samba_ilum/src/INPUTS/INCAR_bands +0 -0
  22. {samba_ilum-1.1.0.101 → samba_ilum-1.1.0.102}/samba_ilum/src/INPUTS/INCAR_bands.SO +0 -0
  23. {samba_ilum-1.1.0.101 → samba_ilum-1.1.0.102}/samba_ilum/src/INPUTS/INCAR_dos +0 -0
  24. {samba_ilum-1.1.0.101 → samba_ilum-1.1.0.102}/samba_ilum/src/INPUTS/INCAR_dos.SO +0 -0
  25. {samba_ilum-1.1.0.101 → samba_ilum-1.1.0.102}/samba_ilum/src/INPUTS/INCAR_relax +0 -0
  26. {samba_ilum-1.1.0.101 → samba_ilum-1.1.0.102}/samba_ilum/src/INPUTS/INCAR_scf +0 -0
  27. {samba_ilum-1.1.0.101 → samba_ilum-1.1.0.102}/samba_ilum/src/INPUTS/INCAR_scf.SO +0 -0
  28. {samba_ilum-1.1.0.101 → samba_ilum-1.1.0.102}/samba_ilum/src/INPUTS/INCAR_xy-scan +0 -0
  29. {samba_ilum-1.1.0.101 → samba_ilum-1.1.0.102}/samba_ilum/src/INPUTS/INCAR_xyz-scan +0 -0
  30. {samba_ilum-1.1.0.101 → samba_ilum-1.1.0.102}/samba_ilum/src/INPUTS/INCAR_z-scan +0 -0
  31. {samba_ilum-1.1.0.101 → samba_ilum-1.1.0.102}/samba_ilum/src/INPUTS/SAMBA_HeteroStructure.input +0 -0
  32. {samba_ilum-1.1.0.101 → samba_ilum-1.1.0.102}/samba_ilum/src/INPUTS/SAMBA_WorkFlow.input +0 -0
  33. {samba_ilum-1.1.0.101 → samba_ilum-1.1.0.102}/samba_ilum/src/INPUTS/inputs_VASProcar/input.vasprocar.bands +0 -0
  34. {samba_ilum-1.1.0.101 → samba_ilum-1.1.0.102}/samba_ilum/src/INPUTS/inputs_VASProcar/input.vasprocar.chgcar +0 -0
  35. {samba_ilum-1.1.0.101 → samba_ilum-1.1.0.102}/samba_ilum/src/INPUTS/inputs_VASProcar/input.vasprocar.dos +0 -0
  36. {samba_ilum-1.1.0.101 → samba_ilum-1.1.0.102}/samba_ilum/src/INPUTS/inputs_VASProcar/input.vasprocar.location +0 -0
  37. {samba_ilum-1.1.0.101 → samba_ilum-1.1.0.102}/samba_ilum/src/INPUTS/inputs_VASProcar/input.vasprocar.locpot +0 -0
  38. {samba_ilum-1.1.0.101 → samba_ilum-1.1.0.102}/samba_ilum/src/INPUTS/inputs_VASProcar/input.vasprocar.orbitals +0 -0
  39. {samba_ilum-1.1.0.101 → samba_ilum-1.1.0.102}/samba_ilum/src/INPUTS/inputs_VASProcar/input.vasprocar.spin +0 -0
  40. {samba_ilum-1.1.0.101 → samba_ilum-1.1.0.102}/samba_ilum/src/INPUTS/vdw_kernel.bindat +0 -0
  41. {samba_ilum-1.1.0.101 → samba_ilum-1.1.0.102}/samba_ilum/src/_info_pseudo.py +0 -0
  42. {samba_ilum-1.1.0.101 → samba_ilum-1.1.0.102}/samba_ilum/src/a-scan.py +0 -0
  43. {samba_ilum-1.1.0.101 → samba_ilum-1.1.0.102}/samba_ilum/src/a-scan_analysis.py +0 -0
  44. {samba_ilum-1.1.0.101 → samba_ilum-1.1.0.102}/samba_ilum/src/bader +0 -0
  45. {samba_ilum-1.1.0.101 → samba_ilum-1.1.0.102}/samba_ilum/src/bader_poscar.py +0 -0
  46. {samba_ilum-1.1.0.101 → samba_ilum-1.1.0.102}/samba_ilum/src/bader_update.py +0 -0
  47. {samba_ilum-1.1.0.101 → samba_ilum-1.1.0.102}/samba_ilum/src/cell_check.py +0 -0
  48. {samba_ilum-1.1.0.101 → samba_ilum-1.1.0.102}/samba_ilum/src/charge_transfer.py +0 -0
  49. {samba_ilum-1.1.0.101 → samba_ilum-1.1.0.102}/samba_ilum/src/chgsum.pl +0 -0
  50. {samba_ilum-1.1.0.101 → samba_ilum-1.1.0.102}/samba_ilum/src/contcar_update.py +0 -0
  51. {samba_ilum-1.1.0.101 → samba_ilum-1.1.0.102}/samba_ilum/src/data-base_json.py +0 -0
  52. {samba_ilum-1.1.0.101 → samba_ilum-1.1.0.102}/samba_ilum/src/data-base_union.py +0 -0
  53. {samba_ilum-1.1.0.101 → samba_ilum-1.1.0.102}/samba_ilum/src/energy_scan.py +0 -0
  54. {samba_ilum-1.1.0.101 → samba_ilum-1.1.0.102}/samba_ilum/src/hubbard_correction.py +0 -0
  55. {samba_ilum-1.1.0.101 → samba_ilum-1.1.0.102}/samba_ilum/src/job.py +0 -0
  56. {samba_ilum-1.1.0.101 → samba_ilum-1.1.0.102}/samba_ilum/src/kpoints.py +0 -0
  57. {samba_ilum-1.1.0.101 → samba_ilum-1.1.0.102}/samba_ilum/src/lattice_plot3d.py +0 -0
  58. {samba_ilum-1.1.0.101 → samba_ilum-1.1.0.102}/samba_ilum/src/make_files.py +0 -0
  59. {samba_ilum-1.1.0.101 → samba_ilum-1.1.0.102}/samba_ilum/src/output.py +0 -0
  60. {samba_ilum-1.1.0.101 → samba_ilum-1.1.0.102}/samba_ilum/src/poscar_fix_direct_coord.py +0 -0
  61. {samba_ilum-1.1.0.101 → samba_ilum-1.1.0.102}/samba_ilum/src/potcar.py +0 -0
  62. {samba_ilum-1.1.0.101 → samba_ilum-1.1.0.102}/samba_ilum/src/vdW_DF.py +0 -0
  63. {samba_ilum-1.1.0.101 → samba_ilum-1.1.0.102}/samba_ilum/src/xy-scan.py +0 -0
  64. {samba_ilum-1.1.0.101 → samba_ilum-1.1.0.102}/samba_ilum/src/xy-scan_analysis.py +0 -0
  65. {samba_ilum-1.1.0.101 → samba_ilum-1.1.0.102}/samba_ilum/src/xyz-scan.py +0 -0
  66. {samba_ilum-1.1.0.101 → samba_ilum-1.1.0.102}/samba_ilum/src/xyz-scan_analysis.py +0 -0
  67. {samba_ilum-1.1.0.101 → samba_ilum-1.1.0.102}/samba_ilum/src/z-scan.py +0 -0
  68. {samba_ilum-1.1.0.101 → samba_ilum-1.1.0.102}/samba_ilum/src/z-scan_analysis.py +0 -0
  69. {samba_ilum-1.1.0.101 → samba_ilum-1.1.0.102}/setup.cfg +0 -0
@@ -1,6 +1,6 @@
1
1
  Metadata-Version: 2.1
2
2
  Name: SAMBA_ilum
3
- Version: 1.1.0.101
3
+ Version: 1.1.0.102
4
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  Summary: ...
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  Author: Augusto de Lelis Araujo
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  Author-email: augusto-lelis@outlook.com
@@ -1,6 +1,6 @@
1
1
  Metadata-Version: 2.1
2
2
  Name: SAMBA_ilum
3
- Version: 1.1.0.101
3
+ Version: 1.1.0.102
4
4
  Summary: ...
5
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  Author: Augusto de Lelis Araujo
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  Author-email: augusto-lelis@outlook.com
@@ -16,7 +16,7 @@ dir_samba = os.path.dirname(os.path.realpath(__file__))
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  print(f'{dir_samba}')
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  #--------------------
18
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- version = '1.1.0.101'
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+ version = '1.1.0.102'
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  print(" ")
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  print("=============================================================")
@@ -352,7 +352,7 @@ for k in range(n_Lattice):
352
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  if porc >= temp:
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  bar_length = 50
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  filled_length = int(bar_length * porc // 100)
355
- bar = '' * filled_length + '-' * (bar_length - filled_length)
355
+ bar = '#' * filled_length + '-' * (bar_length - filled_length)
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  print(f'\rProgress: |{bar}| {porc:.1f}%', end="")
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  sys.stdout.flush()
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  temp += 1 # Atualiza a cada 1%
@@ -538,7 +538,7 @@ for s in range(len(files)):
538
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  if porc >= temp:
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  bar_length = 50
540
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  filled_length = int(bar_length * porc // 100)
541
- bar = '' * filled_length + '-' * (bar_length - filled_length)
541
+ bar = '#' * filled_length + '-' * (bar_length - filled_length)
542
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  print(f'\rProgress: |{bar}| {porc:.1f}%', end="")
543
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  sys.stdout.flush()
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  temp += 1
@@ -680,7 +680,7 @@ if (n_Lattice == 3):
680
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  if porc >= temp:
681
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  bar_length = 50
682
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  filled_length = int(bar_length * porc // 100)
683
- bar = '' * filled_length + '-' * (bar_length - filled_length)
683
+ bar = '#' * filled_length + '-' * (bar_length - filled_length)
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  print(f'\rProgress: |{bar}| {porc:.1f}%', end="")
685
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  sys.stdout.flush()
686
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  temp += 1
@@ -913,7 +913,7 @@ if (n_test == 1):
913
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  if porc >= temp:
914
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  bar_length = 50
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  filled_length = int(bar_length * porc // 100)
916
- bar = '' * filled_length + '-' * (bar_length - filled_length)
916
+ bar = '#' * filled_length + '-' * (bar_length - filled_length)
917
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  print(f'\rProgress: |{bar}| {porc:.1f}%', end="")
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  sys.stdout.flush()
919
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  temp += 1
@@ -1000,7 +1000,7 @@ if (n_test == 1):
1000
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  if porc >= temp:
1001
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  bar_length = 50
1002
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  filled_length = int(bar_length * porc // 100)
1003
- bar = '' * filled_length + '-' * (bar_length - filled_length)
1003
+ bar = '#' * filled_length + '-' * (bar_length - filled_length)
1004
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  print(f'\rProgress: |{bar}| {porc:.1f}%', end="")
1005
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  sys.stdout.flush()
1006
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  temp += 1
@@ -1480,7 +1480,7 @@ for s in range(len(files0)):
1480
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  if porc >= temp:
1481
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  bar_length = 50
1482
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  filled_length = int(bar_length * porc // 100)
1483
- bar = '' * filled_length + '-' * (bar_length - filled_length)
1483
+ bar = '#' * filled_length + '-' * (bar_length - filled_length)
1484
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  print(f'\rProgress: |{bar}| {porc:.1f}%', end="")
1485
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  sys.stdout.flush()
1486
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  temp += 1
@@ -1578,7 +1578,7 @@ for s in range(len(files0)):
1578
1578
  if porc >= temp:
1579
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  bar_length = 50
1580
1580
  filled_length = int(bar_length * porc // 100)
1581
- bar = '' * filled_length + '-' * (bar_length - filled_length)
1581
+ bar = '#' * filled_length + '-' * (bar_length - filled_length)
1582
1582
  print(f'\rProgress: |{bar}| {porc:.1f}%', end="")
1583
1583
  sys.stdout.flush()
1584
1584
  temp += 1
@@ -1740,7 +1740,7 @@ while n_exclusion_cont != 2:
1740
1740
  if porc >= temp:
1741
1741
  bar_length = 50
1742
1742
  filled_length = int(bar_length * porc // 100)
1743
- bar = '' * filled_length + '-' * (bar_length - filled_length)
1743
+ bar = '#' * filled_length + '-' * (bar_length - filled_length)
1744
1744
  print(f'\rProgress: |{bar}| {porc:.1f}%', end="")
1745
1745
  sys.stdout.flush()
1746
1746
  temp += 1
@@ -2024,7 +2024,7 @@ for i in range(len(files)):
2024
2024
  if porc >= temp:
2025
2025
  bar_length = 50
2026
2026
  filled_length = int(bar_length * porc // 100)
2027
- bar = '' * filled_length + '-' * (bar_length - filled_length)
2027
+ bar = '#' * filled_length + '-' * (bar_length - filled_length)
2028
2028
  print(f'\rProgress: |{bar}| {porc:.1f}%', end="")
2029
2029
  sys.stdout.flush()
2030
2030
  temp += 1
@@ -6,7 +6,7 @@ import json
6
6
 
7
7
  setup(
8
8
  name = "SAMBA_ilum",
9
- version = "1.1.0.101",
9
+ version = "1.1.0.102",
10
10
  entry_points={'console_scripts': ['samba_ilum = samba_ilum:main']},
11
11
  description = "...",
12
12
  author = "Augusto de Lelis Araujo",
File without changes
File without changes