ipyvasp 0.8.2__py2.py3-none-any.whl → 0.8.3__py2.py3-none-any.whl

ipyvasp/_lattice.py

@@ -1753,12 +1753,12 @@ def iplot_lattice(
         clabs = [unqc.index(c) for c in colors_n] # few colors categories
         corder = np.argsort(clabs) # coordinates order for those categories
 
-        groups = {0:[],1:[],2:[]}
+        groups = dict([(i,[]) for i in range(len(unqc))])
         for co in corder:
             groups[clabs[co]].append(coords_n[co])
-            groups[clabs[co]].append([[np.nan, np.nan, np.nan]])
+            groups[clabs[co]].append([[np.nan, np.nan, np.nan]]) # nan to break links outside bonds
 
-        for i in range(3):
+        for i in range(len(unqc)):
             groups[i] = np.concatenate(groups[i], axis=0)
 
         bond_kws = {"line_width": 4, **bond_kws}

ipyvasp/_version.py

@@ -1 +1 @@
-__version__ = "0.8.2"
+__version__ = "0.8.3"

{ipyvasp-0.8.2.dist-info → ipyvasp-0.8.3.dist-info}/METADATA

@@ -1,6 +1,6 @@
 Metadata-Version: 2.1
 Name: ipyvasp
-Version: 0.8.2
+Version: 0.8.3
 Summary: A processing tool for VASP DFT input/output processing in Jupyter Notebook.
 Home-page: https://github.com/massgh/ipyvasp
 Author: Abdul Saboor

{ipyvasp-0.8.2.dist-info → ipyvasp-0.8.3.dist-info}/RECORD

@@ -1,8 +1,8 @@
 ipyvasp/__init__.py,sha256=7o41i5eYlNKg1Hsv0DLNFZ81GilxB02IXAJN-QiJQi0,1420
 ipyvasp/__main__.py,sha256=eJV1TZSiT8mC_VqAeksNnBI2I8mKMiPkEIlwikbtOjI,216
 ipyvasp/_enplots.py,sha256=D38paN8zqZgluNAwmCwcocd7-_h_T0HTGolI1eBkDes,37484
-ipyvasp/_lattice.py,sha256=c7IXlc9wgkXQhRMUASx6AYelvOUgY_kdC9UgCYWcqrY,104323
-ipyvasp/_version.py,sha256=UcaL9hG0xAfKWNMY82a1It6J8RjG16fehQmQxqtxSuk,23
+ipyvasp/_lattice.py,sha256=GlSoBwS_LckiZIArtZ3CbFfktG29oBqEAZtLHwYtzak,104390
+ipyvasp/_version.py,sha256=AM0-MB9td9-Rmee_1ARKY1bWYwq-qbjwR15DCGe0x6o,23
 ipyvasp/bsdos.py,sha256=ZtQji-W11UdFFicAoWZjlqVhI5tqYu_jpKyPPWKkeeo,30634
 ipyvasp/cli.py,sha256=aWFEVhNmnW8eSOp5uh95JaDwLQ9K9nlCQcbnOSuhWgw,6844
 ipyvasp/evals_dataframe.py,sha256=-sqxK7LPV6sYDO_XXmZ80FznOaXTkVdbqJKKvTUtMak,20637
@@ -17,9 +17,9 @@ ipyvasp/core/parser.py,sha256=C3CaZsJbPME_ttYlYy4DXeOdL7dnkXs-cHRwFZL6bio,38058
 ipyvasp/core/plot_toolkit.py,sha256=cktbPZTJ4K0_6-vKYqtQ1xIIPZg-gHJY5793M9XoYQ0,35754
 ipyvasp/core/serializer.py,sha256=cHGlaDEyhlfsNgy5SDMcZewc2DIy7uyMyCmsrvOAqlM,33539
 ipyvasp/core/spatial_toolkit.py,sha256=8DBYTiBFWJ7OBKuvOPw7UoEVCyNjJhSW0OcudjYZvAw,14748
-ipyvasp-0.8.2.dist-info/LICENSE,sha256=F3SO5RiAZOMfmMGf1KOuk2g_c4ObvuBJhd9iBLDgXoQ,1263
-ipyvasp-0.8.2.dist-info/METADATA,sha256=I8LjhKFTv6dbwOC6p0Sq8StMK_yZ4-29CXPFE1B09cE,2436
-ipyvasp-0.8.2.dist-info/WHEEL,sha256=iYlv5fX357PQyRT2o6tw1bN-YcKFFHKqB_LwHO5wP-g,110
-ipyvasp-0.8.2.dist-info/entry_points.txt,sha256=C7m0Sjmr14wFjflCkWXLzr5N6-cQj8uJC9n82mUtzt8,44
-ipyvasp-0.8.2.dist-info/top_level.txt,sha256=ftziWlMWu_1VpDP1sRTFrkfBnWxAi393HYDVu4wRhUk,8
-ipyvasp-0.8.2.dist-info/RECORD,,
+ipyvasp-0.8.3.dist-info/LICENSE,sha256=F3SO5RiAZOMfmMGf1KOuk2g_c4ObvuBJhd9iBLDgXoQ,1263
+ipyvasp-0.8.3.dist-info/METADATA,sha256=D-Nih1mFlk8fKFpiqyWI-BRn-WjTO71qajTgY0V_IRc,2436
+ipyvasp-0.8.3.dist-info/WHEEL,sha256=iYlv5fX357PQyRT2o6tw1bN-YcKFFHKqB_LwHO5wP-g,110
+ipyvasp-0.8.3.dist-info/entry_points.txt,sha256=C7m0Sjmr14wFjflCkWXLzr5N6-cQj8uJC9n82mUtzt8,44
+ipyvasp-0.8.3.dist-info/top_level.txt,sha256=ftziWlMWu_1VpDP1sRTFrkfBnWxAi393HYDVu4wRhUk,8
+ipyvasp-0.8.3.dist-info/RECORD,,