vasprocar 1.1.19.129__tar.gz → 1.1.19.130__tar.gz

{vasprocar-1.1.19.129/vasprocar.egg-info → vasprocar-1.1.19.130}/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.1
 Name: vasprocar
-Version: 1.1.19.129
+Version: 1.1.19.130
 Summary: VASProcar is an open-source package written in the Python 3 programming language, which aims to provide an intuitive tool for the post-processing of the output files produced by the DFT VASP/QE codes, through an interactive user interface.
 Home-page: https://doi.org/10.5281/zenodo.6343960
 Download-URL: https://doi.org/10.5281/zenodo.6343960

{vasprocar-1.1.19.129 → vasprocar-1.1.19.130}/setup.py

@@ -6,7 +6,7 @@ from typing import Optional
 
 setup(
     name = "vasprocar",
-    version = "1.1.19.129",
+    version = "1.1.19.130",
     entry_points={'console_scripts': ['vasprocar = vasprocar:main']},
     description = "VASProcar is an open-source package written in the Python 3 programming language, which aims to provide an intuitive tool for the post-processing of the output files produced by the DFT VASP/QE codes, through an interactive user interface.",
     author = "Augusto de Lelis Araujo and Renan da Paixao Maciel", 

{vasprocar-1.1.19.129 → vasprocar-1.1.19.130}/vasprocar/__main__.py

@@ -14,7 +14,7 @@ dir_vasprocar = os.path.dirname(os.path.realpath(__file__))
 print(f'{dir_vasprocar}')
 #------------------------
 
-version = '1.1.19.129'
+version = '1.1.19.130'
 VASProcar_name = 'VASProcar version ' + version
 
 url_1 = 'https://pypi.org/project/vasprocar'

{vasprocar-1.1.19.129 → vasprocar-1.1.19.130}/vasprocar/src/fermi_surface.py

@@ -153,16 +153,16 @@ if (esc_energ == 2 and len(inputs) == 0):
 #-----------------------------------------------------------------------------
 
 if ((soma_1 == 2 or soma_2 == 2) and len(inputs) == 0):
-   #---------------------------------------------------   
+   #----------------------------------   
    if (soma_2 == 2 and escolha == -1):
       print ("##############################################################")
-      print (" Would you like to choose k-axis units?                       ")
-      print (" [1] (kx,ky,kz) 2pi/Param. (Param. in Angs.) =================")
-      print (" [2] (kx,ky,kz) 1/Angs. ======================================")
-      print (" [3] (kx,ky,kz) 1/nm.   ======================================")   
+      print ("Would you like to choose k-axis units?                        ")
+      print ("[1] (kx,ky,kz) 2pi/Param. (Param. in Angs.) ==================")
+      print ("[2] (kx,ky,kz) 1/Angs. =======================================")
+      print ("[3] (kx,ky,kz) 1/nm.   =======================================")   
    #----------------------------------
    if (soma_1 == 2 and soma_2 == 2 and escolha == -1):    
-      print (" [4] (k1,k2,k3) Fractional coord: K = k1*B1 + k2*B2 + k3*B3 ==")    
+      print ("[4] (k1,k2,k3) Fractional coord: K = k1*B1 + k2*B2 + k3*B3 ===")   
    #----------------------------------
    if (soma_2 == 2 and escolha == -1): 
       print ("##############################################################") 
@@ -178,18 +178,20 @@ if ((soma_1 == 2 or soma_2 == 2) and len(inputs) == 0):
    if (soma_1 == 2 and soma_2 == 2 and escolha == 1):
       Dimensao = 4
    #----------------------------------   
-     
+    
+if ((soma_1 == 2 or soma_2 == 2) and len(inputs) != 0):
+   #-----------------
    if (Dimensao < 4):
       if (dk[3] == 1 and dk[4] == 1): Plano_k = 1  #  kxky-plan
       if (dk[3] == 1 and dk[5] == 1): Plano_k = 2  #  kxkz-plan
       if (dk[4] == 1 and dk[5] == 1): Plano_k = 3  #  kykz-plan
-   
+   #-----------------
    if (Dimensao == 4):
       if (dk[0] == 1 and dk[1] == 1): Plano_k = 1  #  k1k2-plan
       if (dk[0] == 1 and dk[2] == 1): Plano_k = 2  #  k1k3-plan
-      if (dk[1] == 1 and dk[2] == 1): Plano_k = 3  #  k2k3-plan   
+      if (dk[1] == 1 and dk[2] == 1): Plano_k = 3  #  k2k3-plan
 
-#-----------------------------------------------------------------------------   
+#-----------------------------------------------------------------------------
 
 if (len(inputs) == 0):
    print ("##############################################################")

{vasprocar-1.1.19.129 → vasprocar-1.1.19.130/vasprocar.egg-info}/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.1
 Name: vasprocar
-Version: 1.1.19.129
+Version: 1.1.19.130
 Summary: VASProcar is an open-source package written in the Python 3 programming language, which aims to provide an intuitive tool for the post-processing of the output files produced by the DFT VASP/QE codes, through an interactive user interface.
 Home-page: https://doi.org/10.5281/zenodo.6343960
 Download-URL: https://doi.org/10.5281/zenodo.6343960