SAMBA-ilum 1.0.0.427__tar.gz → 1.0.0.429__tar.gz

{samba_ilum-1.0.0.427 → samba_ilum-1.0.0.429}/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.1
 Name: SAMBA_ilum
-Version: 1.0.0.427
+Version: 1.0.0.429
 Summary: ...
 Author: Augusto de Lelis Araujo
 Author-email: augusto-lelis@outlook.com

{samba_ilum-1.0.0.427 → samba_ilum-1.0.0.429}/SAMBA_ilum.egg-info/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.1
 Name: SAMBA_ilum
-Version: 1.0.0.427
+Version: 1.0.0.429
 Summary: ...
 Author: Augusto de Lelis Araujo
 Author-email: augusto-lelis@outlook.com

{samba_ilum-1.0.0.427 → samba_ilum-1.0.0.429}/samba_ilum/__main__.py

@@ -16,7 +16,7 @@ dir_samba = os.path.dirname(os.path.realpath(__file__))
 print(f'{dir_samba}')
 #--------------------
 
-version = '1.0.0.427'
+version = '1.0.0.429'
 
 print(" ")
 print("=============================================================")

{samba_ilum-1.0.0.427 → samba_ilum-1.0.0.429}/samba_ilum/src/HeteroStructure_Generator.py

@@ -741,8 +741,6 @@ for s in range(len(files)):
        SLattice1 = np.loadtxt(diret + 'cells_Lattice1' + '/' + files[s]); SLattice1.shape
        SLattice2 = np.loadtxt(diret + 'cells_Lattice2' + '/' + files[s]); SLattice2.shape
        #---------------------------------------------------------------------------------
-
-       #-----------------------------------------------------------------
        temp_area = files[s].replace('.dat', '').replace('_', ' ').split()
        area_min = temp_area[2];  area_max = temp_area[3]
        #-------------------------------------------------------------------------------------------------------------------------------------
@@ -759,7 +757,6 @@ for s in range(len(files)):
        #-------------------------
        for i in range(len(A1x)):
            for j in range(len(A2x)):
-          
                #---------------------------------------------------------
                # Criterio: Variação do ângulo de abertura das Lattice ---
                #---------------------------------------------------------
@@ -792,9 +789,7 @@ for s in range(len(files)):
                               #========================================================================================
                               Structures.write(f'{A1x[i]:>14,.9f} {A1y[i]:>14,.9f} {B1x[i]:>14,.9f} {B1y[i]:>14,.9f} ')
                               Structures.write(f'{A2x[j]:>14,.9f} {A2y[j]:>14,.9f} {B2x[j]:>14,.9f} {B2y[j]:>14,.9f} ')
-                              Structures.write(f'0.0 0.0 0.0 0.0 ')
-                              Structures.write(f'0.0 0.0 0.0 ')                                                             ### ????????????????? Desatualizado ?????????????????
-                              Structures.write(f'0.0 0.0 0.0 ')                                                             ### ????????????????? Desatualizado ?????????????????                                                 
+                              Structures.write(f'0.0 0.0 0.0 0.0 ')                                               
                               Structures.write(f'{MT1_00[i]} {MT1_01[i]} {MT1_10[i]} {MT1_11[i]} ')
                               Structures.write(f'{MT2_00[j]} {MT2_01[j]} {MT2_10[j]} {MT2_11[j]} ')
                               Structures.write(f'0.0 0.0 0.0 0.0 \n')
@@ -803,7 +798,6 @@ for s in range(len(files)):
                               #====================================================================================
                               Structures.write(f'{A1x[i]} {A1y[i]} {dA1[i]} {B1x[i]} {B1y[i]} {dB1[i]} {ang1[i]} ')
                               Structures.write(f'{A2x[j]} {A2y[j]} {dA2[j]} {B2x[j]} {B2y[j]} {dB2[j]} {ang2[j]} ')
-                              Structures.write(f'0.0 0.0 0.0 ')                                                             ### ????????????????? Desatualizado ?????????????????
                               Structures.write(f'{MT1_00[i]} {MT1_01[i]} {MT1_10[i]} {MT1_11[i]} ')
                               Structures.write(f'{MT2_00[j]} {MT2_01[j]} {MT2_10[j]} {MT2_11[j]} \n')
                               #======================================================================
@@ -832,7 +826,7 @@ if (n_Lattice == 3):
                 #-------
 
        #---------------------------------
-       print(f'etapa {s+1}/{len(files)}') 
+       print(f'etapa {s+1}/{len(files)}')
        #---------------------------------
        if (cont == 1):
           #-----------------------------------------------------------------------------------------------------------------------------------
@@ -848,13 +842,14 @@ if (n_Lattice == 3):
           A2x = SLattice1[:,7]; A2y = SLattice1[:,8]; dA2 = SLattice1[:,9]; B2x = SLattice1[:,10]; B2y = SLattice1[:,11]; dB2 = SLattice1[:,12]; ang2 = SLattice1[:,13]
           A3x = SLattice3[:,0]; A3y = SLattice3[:,1]; dA3 = SLattice3[:,2]; B3x = SLattice3[:,3];  B3y = SLattice3[:,4];  dB3 = SLattice3[:,5];  ang3 = SLattice3[:,6]
           #-----------------------------------------------------------------------------------------------------------------------------------------------------------
-          MT3_00 = SLattice3[:,7];  MT3_01 = SLattice3[:,8];  MT3_10 = SLattice3[:,9];  MT3_11 = SLattice3[:,10]
-          #-----------------------------------------------------------------------------------------------------
+          MT1_00 = SLattice1[:,14];  MT1_01 = SLattice1[:,15];  MT1_10 = SLattice1[:,16];  MT1_11 = SLattice1[:,17]
+          MT2_00 = SLattice2[:,18];  MT2_01 = SLattice2[:,19];  MT2_10 = SLattice2[:,20];  MT2_11 = SLattice2[:,21]
+          MT3_00 = SLattice3[:,7];   MT3_01 = SLattice3[:,8];   MT3_10 = SLattice3[:,9];   MT3_11 = SLattice3[:,10]
+          #--------------------------------------------------------------------------------------------------------
 
           #-------------------------
           for i in range(len(A1x)):
               for j in range(len(A3x)):
-
                   #---------------------------------------------------------
                   # Criterio: Variação do ângulo de abertura das Lattice ---
                   #---------------------------------------------------------
@@ -887,8 +882,6 @@ if (n_Lattice == 3):
                               Structures.write(f'{A1x[i]:>14,.9f} {A1y[i]:>14,.9f} {B1x[i]:>14,.9f} {B1y[i]:>14,.9f} ')
                               Structures.write(f'{A2x[i]:>14,.9f} {A2y[i]:>14,.9f} {B2x[i]:>14,.9f} {B2y[i]:>14,.9f} ')
                               Structures.write(f'{A3x[j]:>14,.9f} {A3y[j]:>14,.9f} {B3x[j]:>14,.9f} {B3y[j]:>14,.9f} ')
-                              Structures.write(f'0.0 0.0 0.0 ')                                                                ### ????????????????? Desatualizado ?????????????????
-                              Structures.write(f'0.0 0.0 0.0 ')                                                                ### ????????????????? Desatualizado ?????????????????
                               Structures.write(f'{MT1_00[i]} {MT1_01[i]} {MT1_10[i]} {MT1_11[i]} ')
                               Structures.write(f'{MT2_00[i]} {MT2_01[i]} {MT2_10[i]} {MT2_11[i]} ')
                               Structures.write(f'{MT3_00[j]} {MT3_01[j]} {MT3_10[j]} {MT3_11[j]} \n')
@@ -1152,17 +1145,17 @@ if (n_test == 1):
        tfile = np.loadtxt(diret + 'Matching_Lattices' + '/' + dir_matchings[s]); tfile.shape
        n_structures = len(tfile[:,0])
        #------------------------------------------
-       MT1_00 = tfile[:,18];  MT2_00 = tfile[:,22]
-       MT1_01 = tfile[:,19];  MT2_01 = tfile[:,23]
-       MT1_10 = tfile[:,20];  MT2_10 = tfile[:,24]
-       MT1_10 = tfile[:,21];  MT2_10 = tfile[:,25]
+       MT1_00 = tfile[:,12];  MT2_00 = tfile[:,16]
+       MT1_01 = tfile[:,13];  MT2_01 = tfile[:,17]
+       MT1_10 = tfile[:,14];  MT2_10 = tfile[:,18]
+       MT1_10 = tfile[:,15];  MT2_10 = tfile[:,19]
 
        if (n_Lattice == 3):
           #-------------------
-          MT3_00 = tfile[:,26]
-          MT3_01 = tfile[:,27]
-          MT3_10 = tfile[:,28]
-          MT3_10 = tfile[:,29]
+          MT3_00 = tfile[:,20]
+          MT3_01 = tfile[:,21]
+          MT3_10 = tfile[:,22]
+          MT3_10 = tfile[:,23]
 
        if (n_structures != 0):
 
@@ -1560,7 +1553,7 @@ if (n_test == 1):
                  #--------------------------------------------------------------
                  if (n_Lattice == 3): 
                     Lattice_C_inv = np.linalg.inv(Lattice_C)
-                    F_C = np.dot(Lattice_A, Lattice_C_inv)                   # ?????????????????? Verificar/Corrigir para mismatch_type == 1
+                    F_C = np.dot(Lattice_A, Lattice_C_inv)                             # ?????????????????? Verificar/Corrigir para mismatch_type == 1
                     MStrain_C = 0.5 * (np.dot(F_C.T, F_C) - I)
                     for aa in range(2):
                         for bb in range(2):

{samba_ilum-1.0.0.427 → samba_ilum-1.0.0.429}/setup.py

@@ -6,7 +6,7 @@ import json
 
 setup(
     name = "SAMBA_ilum",
-    version = "1.0.0.427",
+    version = "1.0.0.429",
     entry_points={'console_scripts': ['samba_ilum = samba_ilum:main']},
     description = "...",
     author = "Augusto de Lelis Araujo",