SAMBA-ilum 1.0.0.479__tar.gz → 1.0.0.481__tar.gz

{samba_ilum-1.0.0.479 → samba_ilum-1.0.0.481}/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.1
 Name: SAMBA_ilum
-Version: 1.0.0.479
+Version: 1.0.0.481
 Summary: ...
 Author: Augusto de Lelis Araujo
 Author-email: augusto-lelis@outlook.com

{samba_ilum-1.0.0.479 → samba_ilum-1.0.0.481}/SAMBA_ilum.egg-info/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.1
 Name: SAMBA_ilum
-Version: 1.0.0.479
+Version: 1.0.0.481
 Summary: ...
 Author: Augusto de Lelis Araujo
 Author-email: augusto-lelis@outlook.com

{samba_ilum-1.0.0.479 → samba_ilum-1.0.0.481}/samba_ilum/__main__.py

@@ -16,7 +16,7 @@ dir_samba = os.path.dirname(os.path.realpath(__file__))
 print(f'{dir_samba}')
 #--------------------
 
-version = '1.0.0.479'
+version = '1.0.0.481'
 
 print(" ")
 print("=============================================================")

{samba_ilum-1.0.0.479 → samba_ilum-1.0.0.481}/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-1.0.0.479 → samba_ilum-1.0.0.481}/samba_ilum/src/rotation_axis_check.py

@@ -1,15 +1,29 @@
 # SAMBA_ilum Copyright (C) 2024 - Closed source
 
 
+
+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 sys  
+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-1.0.0.479 → samba_ilum-1.0.0.481}/setup.py

@@ -6,7 +6,7 @@ import json
 
 setup(
     name = "SAMBA_ilum",
-    version = "1.0.0.479",
+    version = "1.0.0.481",
     entry_points={'console_scripts': ['samba_ilum = samba_ilum:main']},
     description = "...",
     author = "Augusto de Lelis Araujo",