SAMBA-ilum 1.0.0.512__tar.gz → 1.0.0.514__tar.gz

{samba_ilum-1.0.0.512 → samba_ilum-1.0.0.514}/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.1
 Name: SAMBA_ilum
-Version: 1.0.0.512
+Version: 1.0.0.514
 Summary: ...
 Author: Augusto de Lelis Araujo
 Author-email: augusto-lelis@outlook.com

{samba_ilum-1.0.0.512 → samba_ilum-1.0.0.514}/SAMBA_ilum.egg-info/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.1
 Name: SAMBA_ilum
-Version: 1.0.0.512
+Version: 1.0.0.514
 Summary: ...
 Author: Augusto de Lelis Araujo
 Author-email: augusto-lelis@outlook.com

{samba_ilum-1.0.0.512 → samba_ilum-1.0.0.514}/samba_ilum/__main__.py

@@ -16,7 +16,7 @@ dir_samba = os.path.dirname(os.path.realpath(__file__))
 print(f'{dir_samba}')
 #--------------------
 
-version = '1.0.0.512'
+version = '1.0.0.514'
 
 print(" ")
 print("=============================================================")
@@ -75,7 +75,7 @@ if (run_input == 'yes'):
 
 if(run_input == 'not'):
    print("######################################################################")
-   print("# What do you want to run? ? =========================================")
+   print("# What do you want to run? ===========================================")
    print("# ====================================================================")
    print("# [0] Generate SAMBA execution inputs                                 ")
    print("# --------------------------------------------------------------------")
@@ -84,6 +84,9 @@ if(run_input == 'not'):
    print("# --------------------------------------------------------------------")
    print("# [3] Customize internal WorkFlow inputs (INPUTS folder)              ")
    print("######################################################################")
+   print("A tutorial on how to use the SAMBA is available on GitHub at the link:")
+   print("https://github.com/Augusto-de-Lelis-Araujo/SAMBA/blob/main/README.md  ")
+   print("######################################################################")
    tarefa = input(" "); tarefa = int(tarefa)
    print(" ")
 
@@ -118,6 +121,8 @@ if (tarefa == 1):
    #------------------------------------------------------------
    exec(open(dir_files + '/SAMBA_HeteroStructure.input').read())
    #------------------------------------------------------------
+   separacao1 = separation_1
+   separacao2 = separation_2
 
 
    #======================================================
@@ -263,9 +268,11 @@ if (tarefa == 2):
    os.chdir(dir_samba)
    #------------------
 
-   #--------------------------------------------------------
+   #-----------------------------------------------------
    exec(open(dir_files + '/SAMBA_WorkFlow.input').read())
    #-----------------------------------------------------
+   vacuo = vacuum
+   #-------------
    dir_out   = dir_files + '/' + dir_o
    #----------------------------------
    task = []