vasprocar 1.1.19.127__tar.gz → 1.1.19.128__tar.gz

{vasprocar-1.1.19.127/vasprocar.egg-info → vasprocar-1.1.19.128}/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.1
 Name: vasprocar
-Version: 1.1.19.127
+Version: 1.1.19.128
 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-1.1.19.127 → vasprocar-1.1.19.128}/setup.py

@@ -6,7 +6,7 @@ from typing import Optional
 
 setup(
     name = "vasprocar",
-    version = "1.1.19.127",
+    version = "1.1.19.128",
     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-1.1.19.127 → vasprocar-1.1.19.128}/vasprocar/__main__.py

@@ -14,7 +14,7 @@ dir_vasprocar = os.path.dirname(os.path.realpath(__file__))
 print(f'{dir_vasprocar}')
 #------------------------
 
-version = '1.1.19.127'
+version = '1.1.19.128'
 VASProcar_name = 'VASProcar version ' + version
 
 url_1 = 'https://pypi.org/project/vasprocar'

{vasprocar-1.1.19.127 → vasprocar-1.1.19.128}/vasprocar/src/plot/plot_spin_texture_contour_video.py

@@ -237,10 +237,10 @@ for i in range (n_contour):
         e_grid = [0]; points = []; cont = 0
         #------------------------------------------
         resto = int(b/2) -(b/2); resto = abs(resto)
-        if (allowed_bands = 'all'): cont = 1
-        if (allowed_bands = 'even' and resto == 0.0): cont = 1
-        if (allowed_bands = 'odd' and resto == 0.5): cont = 1  
-        #----------------------------------------------------
+        if (allowed_bands == 'all'): cont = 1
+        if (allowed_bands == 'even' and resto == 0.0): cont = 1
+        if (allowed_bands == 'odd' and resto == 0.5): cont = 1  
+        #-----------------------------------------------------
         if (cont == 1):
            if (min(energia) >= levels_n[i] or max(energia) <= levels_n[i]): cont = 0
          

{vasprocar-1.1.19.127 → vasprocar-1.1.19.128}/vasprocar/src/spin_texture_contour_video.py

@@ -531,9 +531,11 @@ linha += 1; lines.insert(linha, f'tipo_contour = {tipo_contour}  #  How to obtai
 linha += 1; lines.insert(linha, f'n_contour = {n_contour}        #  Number of Level Contours to be obtained \n')
 linha += 1; lines.insert(linha, f'Efermi = {Efermi}        #  Fermi energy from DFT outpout files \n')
 linha += 1; lines.insert(linha, f'esc_fermi = {esc_fermi}  #  Would you like to shift the Fermi level? [0] No, use the value obtained from VASP [1] Yes, shift the Fermi level to 0.0 eV \n')
-#--------------------------------
+#----------------------
 if (tipo_contour == 1):
    linha += 1; lines.insert(linha, f'energ_i = {energ_i}; energ_f = {energ_f}  #  Starting and ending energy of the Energy Range in the Level Contours plot \n')
+if (tipo_contour != 1):
+   linha += 1; lines.insert(linha, f'# energ_i = -1.0; energ_f = +1.0      #  Starting and ending energy of the Energy Range in the Level Contours plot \n')
 if (tipo_contour == 2):
    linha += 1; lines.insert(linha, f'levels_n = {levels_n}  #  Energy values specified manually in the plot of Level Contours \n')
 if (tipo_contour < 2):

{vasprocar-1.1.19.127 → vasprocar-1.1.19.128/vasprocar.egg-info}/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.1
 Name: vasprocar
-Version: 1.1.19.127
+Version: 1.1.19.128
 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