vasprocar 1.1.19.99__tar.gz → 1.1.19.101__tar.gz

{vasprocar-1.1.19.99 → vasprocar-1.1.19.101}/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.1
 Name: vasprocar
-Version: 1.1.19.99
+Version: 1.1.19.101
 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-1.1.19.99 → vasprocar-1.1.19.101}/setup.py

@@ -6,7 +6,7 @@ from typing import Optional
 
 setup(
     name = "vasprocar",
-    version = "1.1.19.99",
+    version = "1.1.19.101",
     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-1.1.19.99 → vasprocar-1.1.19.101}/vasprocar/__main__.py

@@ -14,7 +14,7 @@ dir_vasprocar = os.path.dirname(os.path.realpath(__file__))
 print(f'{dir_vasprocar}')
 #------------------------
 
-version = '1.1.19.99'
+version = '1.1.19.101'
 VASProcar_name = 'VASProcar version ' + version
 
 url_1 = 'https://pypi.org/project/vasprocar'

{vasprocar-1.1.19.99 → vasprocar-1.1.19.101}/vasprocar/src/etc/BibTeX.dat

@@ -3,7 +3,7 @@
   title        = {VASProcar: Python tools for DFT calculations},
   year         = 2024,
   publisher    = {Zenodo},
-  version      = {1.1.19.98},
+  version      = {1.1.19.100},
   doi          = {10.5281/zenodo.6343960},
   url          = {https://doi.org/10.5281/zenodo.6343960}
 }

{vasprocar-1.1.19.99 → vasprocar-1.1.19.101}/vasprocar/src/inputs/input.vasprocar.spin_video

@@ -76,10 +76,10 @@ n_contour = 9
 
 
 ##############################################################
-Regarding the energies of the Level Contours: ================
-[0] Must be obtained automatically by code ===================
-[1] Must sweep a certain range of energy =====================
-[2] I want to specify each energy value manually =============
+# Regarding the energies of the Level Contours: ==============
+# [0] Must be obtained automatically by code =================
+# [1] Must sweep a certain range of energy ===================
+# [2] I want to specify each energy value manually ===========
 ##############################################################
 tipo_contour = 1
 
@@ -202,55 +202,3 @@ fator = 1.0
 # be, the higher the more intense they will be. ----------------
 ################################################################
 transp = 1.0
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-# ==============================================================================================
-# do not edit ### do not edit ### do not edit ### do not edit ### do not edit ### do not edit ##
-# ==============================================================================================
-esc_color = 0
-esc_ions_tipo = 0
-l_symmetry = 0 
-# ==============================================================================================
-# do not edit ### do not edit ### do not edit ### do not edit ### do not edit ### do not edit ##
-# ==============================================================================================

{vasprocar-1.1.19.99 → vasprocar-1.1.19.101}/vasprocar/src/spin_texture_contour_video.py

@@ -100,7 +100,7 @@ if (escolha == -1 and len(inputs) == 0):
       orb_io = input ("Orbitals_Spin  ").replace(':', ' ').replace('-', ' ').replace('*', ' *').split( )
       print (" ")
 
-if ((escolha == -1 and p_orb_spin == 1) or len(inputs) != 0):
+if ((escolha == -1 and p_orb_spin == 1) or (len(inputs) != 0 and p_orb_spin == 1)):
       for i in range(len(orb_io)):
           if (orb_io[i] == 's' or orb_io[i] == 'S'): Orb_spin[0] = 1
           if (orb_io[i] == 'p' or orb_io[i] == 'P'): Orb_spin[1] = 1; Orb_spin[2] = 1; Orb_spin[3] = 1
@@ -220,7 +220,7 @@ if (escolha == -1):
       print (" ")
 
 
-if (escolha == -1 or len(inputs) != 0):
+if ((escolha == -1 and esc_ions == 1) or (len(inputs) != 0 and esc_ions == 1)):
       #----------------------------------------------------------------------------------------
       selected_ions = ion_range.replace(':', ' ').replace('-', ' ').replace('*', ' *').split( )
       loop = int(len(selected_ions)/2)

{vasprocar-1.1.19.99 → vasprocar-1.1.19.101}/vasprocar.egg-info/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.1
 Name: vasprocar
-Version: 1.1.19.99
+Version: 1.1.19.101
 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