SAMBA-ilum 1.0.0.481__tar.gz → 1.0.0.482__tar.gz

{samba_ilum-1.0.0.481 → samba_ilum-1.0.0.482}/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.1
 Name: SAMBA_ilum
-Version: 1.0.0.481
+Version: 1.0.0.482
 Summary: ...
 Author: Augusto de Lelis Araujo
 Author-email: augusto-lelis@outlook.com

{samba_ilum-1.0.0.481 → samba_ilum-1.0.0.482}/SAMBA_ilum.egg-info/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.1
 Name: SAMBA_ilum
-Version: 1.0.0.481
+Version: 1.0.0.482
 Summary: ...
 Author: Augusto de Lelis Araujo
 Author-email: augusto-lelis@outlook.com

{samba_ilum-1.0.0.481 → samba_ilum-1.0.0.482}/samba_ilum/__main__.py

@@ -16,7 +16,7 @@ dir_samba = os.path.dirname(os.path.realpath(__file__))
 print(f'{dir_samba}')
 #--------------------
 
-version = '1.0.0.481'
+version = '1.0.0.482'
 
 print(" ")
 print("=============================================================")
@@ -125,7 +125,7 @@ if (tarefa == 1):
    # Checagem da estrutura dos arquivos POSCAR, com relação
    # ao ângulo de rotação em relação ao eixo-z ============
    #=======================================================
-   exec(open(dir_codes + '/rotation_axis_check.py').read())
+   # exec(open(dir_codes + '/rotation_axis_check.py').read())
    #=======================================================
 
 

{samba_ilum-1.0.0.481 → samba_ilum-1.0.0.482}/samba_ilum/src/HeteroStructure_Generator.py

@@ -7,19 +7,19 @@ print("==================================")
 print("")
 
 
-# from pymatgen.io.vasp import Poscar
-# from pymatgen.core import Structure
-# from pymatgen.analysis.structure_matcher import StructureMatcher
-# from pymatgen.symmetry.analyzer import SpacegroupAnalyzer
+from pymatgen.io.vasp import Poscar
+from pymatgen.core import Structure
+from pymatgen.analysis.structure_matcher import StructureMatcher
+from pymatgen.symmetry.analyzer import SpacegroupAnalyzer
 #---------------------------------------------------------------
-# import numpy as np
+import numpy as np
 import filecmp
 import hashlib
 import shutil
 import math
 import uuid
-# import sys  
-# import os
+import sys  
+import os
 
 
 #---------------------------------------------

{samba_ilum-1.0.0.481 → samba_ilum-1.0.0.482}/samba_ilum/src/rotation_axis_check.py

@@ -14,16 +14,12 @@ import os
 # Listando os arquivos dentro do diretório "dir_poscar"
 files0 = [name for name in os.listdir(dir_files + '/' + dir_poscar + '/') if os.path.isfile(os.path.join(dir_files + '/' + dir_poscar + '/', name))]
 
-print(files0)
-
 #------------
 stop_code = 0
 #------------
 for name in files0:
     Lattice = dir_files + '/' + dir_poscar + '/' + name
 
-    print(Lattice)
-
     try:
         estrutura = Structure.from_file(Lattice)
         sga = SpacegroupAnalyzer(estrutura, symprec=1e-3)

{samba_ilum-1.0.0.481 → samba_ilum-1.0.0.482}/setup.py

@@ -6,7 +6,7 @@ import json
 
 setup(
     name = "SAMBA_ilum",
-    version = "1.0.0.481",
+    version = "1.0.0.482",
     entry_points={'console_scripts': ['samba_ilum = samba_ilum:main']},
     description = "...",
     author = "Augusto de Lelis Araujo",