ipyvasp 0.9.82__tar.gz → 0.9.83__tar.gz

{ipyvasp-0.9.82 → ipyvasp-0.9.83}/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.1
 Name: ipyvasp
-Version: 0.9.82
+Version: 0.9.83
 Summary: A processing tool for VASP DFT input/output processing in Jupyter Notebook.
 Home-page: https://github.com/massgh/ipyvasp
 Author: Abdul Saboor

{ipyvasp-0.9.82 → ipyvasp-0.9.83}/ipyvasp/_lattice.py

@@ -1377,7 +1377,7 @@ def iplot_bz(
                 z=xc[:, 2],
                 color=color,
                 opacity=alpha,
-                alphahull=0,
+                alphahull=0,# convex body
                 lighting=dict(diffuse=0.5),
                 legendgroup=zone_name,
                 name=zone_name,

ipyvasp-0.9.83/ipyvasp/_version.py

@@ -0,0 +1 @@
+__version__ = "0.9.83"

{ipyvasp-0.9.82 → ipyvasp-0.9.83}/ipyvasp/lattice.py

@@ -665,7 +665,7 @@ class POSCAR:
                 ylim=[P[:,1].min(),P[:,1].max()],
                 zlim=[P[:,2].min(),P[:,2].max()]
             )
-        kwargs = {'alpha':0.5,'color':'#898','shade': False, **kwargs}
+        kwargs = {'alpha':0.5,'color':'#898','shade': False, 'label':str(hkl), **kwargs}
         ax.add_collection(Poly3DCollection([P],**kwargs))
         ax.autoscale_view()
         return ax
@@ -676,7 +676,8 @@ class POSCAR:
             fig = go.Figure()
 
         P = self.get_plane(hkl,d=d,tol=tol)
-        kwargs = {**dict(color='#8a8',opacity=0.7,alphahull=0, showlegend=True,name=str(hkl)),**kwargs}
+        kwargs['delaunayaxis'] = ('xyz')[np.eye(3).dot(hkl).argmax()] # with alphahull=-1, delaunayaxis to be set properly
+        kwargs = {**dict(color='#8a8',opacity=0.7,alphahull=-1, showlegend=True,name=str(hkl)),**kwargs}
         fig.add_trace(go.Mesh3d({k:v for v,k in zip(P.T, 'xyz')},**kwargs))
         return fig
 

{ipyvasp-0.9.82 → ipyvasp-0.9.83}/ipyvasp.egg-info/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.1
 Name: ipyvasp
-Version: 0.9.82
+Version: 0.9.83
 Summary: A processing tool for VASP DFT input/output processing in Jupyter Notebook.
 Home-page: https://github.com/massgh/ipyvasp
 Author: Abdul Saboor

ipyvasp-0.9.82/ipyvasp/_version.py

@@ -1 +0,0 @@
-__version__ = "0.9.82"