vasprocar 1.1.19.107__tar.gz → 1.1.19.110__tar.gz

{vasprocar-1.1.19.107/vasprocar.egg-info → vasprocar-1.1.19.110}/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.1
 Name: vasprocar
-Version: 1.1.19.107
+Version: 1.1.19.110
 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-1.1.19.107 → vasprocar-1.1.19.110}/setup.py

@@ -6,7 +6,7 @@ from typing import Optional
 
 setup(
     name = "vasprocar",
-    version = "1.1.19.107",
+    version = "1.1.19.110",
     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-1.1.19.107 → vasprocar-1.1.19.110}/vasprocar/__main__.py

@@ -14,7 +14,7 @@ dir_vasprocar = os.path.dirname(os.path.realpath(__file__))
 print(f'{dir_vasprocar}')
 #------------------------
 
-version = '1.1.19.107'
+version = '1.1.19.110'
 VASProcar_name = 'VASProcar version ' + version
 
 url_1 = 'https://pypi.org/project/vasprocar'

{vasprocar-1.1.19.107 → vasprocar-1.1.19.110}/vasprocar/src/_VASP/_info.py

@@ -170,13 +170,12 @@ if (ispin == 1):
    # This check also does not make sense for metallic system --------------
    #-----------------------------------------------------------------------
 
-   VTemp = outcar.readline(); print(f'teste = {VTemp}')
-   VTemp = outcar.readline().split(); print(f'teste = {VTemp}')
+   VTemp = outcar.readline()
+   VTemp = outcar.readline().split()
    
    if ((len(VTemp) >= 3) and (VTemp[0] == 'Fermi')):
       Efermi = float(VTemp[2])
-      VTemp = outcar.readline(); print(f'teste = {VTemp}')
-      VTemp = outcar.readline(); print(f'teste = {VTemp}')
+      VTemp = outcar.readline()
 
    menor_n2 = -1000.0
    maior_n2 = +1000.0
@@ -185,10 +184,10 @@ if (ispin == 1):
    for i in range(nk):
        number += 1
     
-       VTemp = outcar.readline(); print(f'teste = {VTemp}')
-       VTemp = outcar.readline(); print(f'teste = {VTemp}')
+       VTemp = outcar.readline()
+       VTemp = outcar.readline()
        for j in range(nb):
-           VTemp = outcar.readline().split(); print(f'teste = {VTemp}')
+           VTemp = outcar.readline().split()
            n1 = int(VTemp[0])
            n2 = float(VTemp[1])
            n3 = float(VTemp[2])
@@ -234,18 +233,18 @@ if (ispin == 2):
       #-----------------------------------------------------------------------
 
       if (nspin == 1):
-         VTemp = outcar.readline(); VTemp = outcar.readline().split()
+         VTemp = outcar.readline(); print(VTemp)
+         VTemp = outcar.readline().split(); print(VTemp)
          if ((len(VTemp) >= 3) and (VTemp[0] == 'Fermi')): Efermi = float(VTemp[2])
-         #-------------------------------------------------------------------------
-         menor_n2 = -1000.0
-         maior_n2 = +1000.0 
-         #------------------
-
-      if (nspin == 1):
-         number = 0
          VTemp = outcar.readline(); print(VTemp)
          VTemp = outcar.readline(); print(VTemp)
          VTemp = outcar.readline(); print(VTemp)
+         #------------------------------------------------------------------------------
+         menor_n2 = -1000.0
+         maior_n2 = +1000.0
+         number = 0
+         #---------
+
       if (nspin == 2):
          number = 0
          VTemp = outcar.readline(); print(VTemp)
@@ -255,7 +254,6 @@ if (ispin == 2):
 
       for i in range(nk):
           number += 1
-
           VTemp = outcar.readline(); print(VTemp)
           VTemp = outcar.readline(); print(VTemp)
           for j in range(nb):

{vasprocar-1.1.19.107 → vasprocar-1.1.19.110/vasprocar.egg-info}/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.1
 Name: vasprocar
-Version: 1.1.19.107
+Version: 1.1.19.110
 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