SAMBA-ilum 1.0.0.451__tar.gz → 1.0.0.452__tar.gz

{samba_ilum-1.0.0.451 → samba_ilum-1.0.0.452}/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.1
 Name: SAMBA_ilum
-Version: 1.0.0.451
+Version: 1.0.0.452
 Summary: ...
 Author: Augusto de Lelis Araujo
 Author-email: augusto-lelis@outlook.com

{samba_ilum-1.0.0.451 → samba_ilum-1.0.0.452}/SAMBA_ilum.egg-info/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.1
 Name: SAMBA_ilum
-Version: 1.0.0.451
+Version: 1.0.0.452
 Summary: ...
 Author: Augusto de Lelis Araujo
 Author-email: augusto-lelis@outlook.com

{samba_ilum-1.0.0.451 → samba_ilum-1.0.0.452}/samba_ilum/__main__.py

@@ -16,7 +16,7 @@ dir_samba = os.path.dirname(os.path.realpath(__file__))
 print(f'{dir_samba}')
 #--------------------
 
-version = '1.0.0.451'
+version = '1.0.0.452'
 
 print(" ")
 print("=============================================================")

{samba_ilum-1.0.0.451 → samba_ilum-1.0.0.452}/samba_ilum/src/HeteroStructure_Generator.py

@@ -1228,7 +1228,7 @@ if (n_test == 1):
                  V1 = 0.5*B1; V2 = 0.5*B2
                  if (n_Lattice == 3):  V3 = 0.5*B3
               #-----------------------------------
-              angle_V12 = np.arctan2(np.cross(V1, V2), np.dot(V1, V2))  # ângulo de radianos
+              angle_V12 = np.arctan2(np.cross(V1, V2), np.dot(V1, V2))  # ângulo em radianos
               angle0 = np.degrees(angle_V12)
               if (abs(angle0) == 0.0):  angle0 = 0.0
               #-----------------------------------------------------------------
@@ -1241,7 +1241,7 @@ if (n_test == 1):
               angle1 = str(angle0)
               #=================================================================
               if (n_Lattice == 3):
-                 angle_V13 = np.arctan2(np.cross(V1, V3), np.dot(V1, V3))  # ângulo de radianos
+                 angle_V13 = np.arctan2(np.cross(V1, V3), np.dot(V1, V3))  # ângulo em radianos
                  angle2 = np.degrees(angle_V13)
                  if (abs(angle2) == 0.0):  angle2 = 0.0
                  #-----------------------------------------------------------------
@@ -1308,25 +1308,27 @@ if (n_test == 1):
                  mod_B2 = np.linalg.norm(B2)
                  Area1 = np.linalg.norm(np.cross(A1, B1))
                  Area2 = np.linalg.norm(np.cross(A2, B2))
-                 angle_1 = np.arctan2(np.cross(A1, B1), np.dot(A1, B1))  # ângulo de radianos
-                 angle_2 = np.arctan2(np.cross(A2, B2), np.dot(A2, B2))  # ângulo de radianos
+                 angle_1 = np.arctan2(np.cross(A1, B1), np.dot(A1, B1))  # ângulo em radianos
+                 angle_2 = np.arctan2(np.cross(A2, B2), np.dot(A2, B2))  # ângulo em radianos
                  if (n_Lattice == 3):
                     mod_A3 = np.linalg.norm(A3)
                     mod_B3 = np.linalg.norm(B3)
                     Area3 = np.linalg.norm(np.cross(A3, B3))
-                    angle_3 = np.arctan2(np.cross(A3, B3), np.dot(A3, B3))  # ângulo de radianos
+                    angle_3 = np.arctan2(np.cross(A3, B3), np.dot(A3, B3))  # ângulo em radianos
 
                  #----------------------------------------------------------------------------------------------------------------
                  # Alinhando a célula das redes a fim de criar a célula intermediária --------------------------------------------
                  #----------------------------------------------------------------------------------------------------------------
                  theta = angle_V12;  rotation_matrix = np.array([[np.cos(theta), -np.sin(theta)], [np.sin(theta), np.cos(theta)]])
                  A2_rotated = np.dot(rotation_matrix, A2)
-                 B2_rotated = np.dot(rotation_matrix, B2)
-                 #---------------------------------------
+                 theta = angle_2;  rotation_matrix = np.array([[np.cos(theta), -np.sin(theta)], [np.sin(theta), np.cos(theta)]])
+                 B2_rotated = np.dot(rotation_matrix, A2_rotated)
+                 #-----------------------------------------------
                  if (n_Lattice == 3):
                     theta = angle_V13;  rotation_matrix = np.array([[np.cos(theta), -np.sin(theta)], [np.sin(theta), np.cos(theta)]])
                     A3_rotated = np.dot(rotation_matrix, A3)
-                    B3_rotated = np.dot(rotation_matrix, B3)
+                    theta = angle_3;  rotation_matrix = np.array([[np.cos(theta), -np.sin(theta)], [np.sin(theta), np.cos(theta)]])
+                    B3_rotated = np.dot(rotation_matrix, A3_rotated)
                  #-------------------------------------------------------
                  # Vetores que definem a célula intermediária -----------
                  #-------------------------------------------------------

{samba_ilum-1.0.0.451 → samba_ilum-1.0.0.452}/setup.py

@@ -6,7 +6,7 @@ import json
 
 setup(
     name = "SAMBA_ilum",
-    version = "1.0.0.451",
+    version = "1.0.0.452",
     entry_points={'console_scripts': ['samba_ilum = samba_ilum:main']},
     description = "...",
     author = "Augusto de Lelis Araujo",