ipyvasp 0.9.82__py2.py3-none-any.whl → 0.9.83__py2.py3-none-any.whl

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/_version.py

@@ -1 +1 @@
-__version__ = "0.9.82"
+__version__ = "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.dist-info → ipyvasp-0.9.83.dist-info}/METADATA

@@ -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.dist-info → ipyvasp-0.9.83.dist-info}/RECORD

@@ -1,12 +1,12 @@
 ipyvasp/__init__.py,sha256=rlorju9arMtHw1QRYPljday-PyZWJdSCxg4lw3g6t0Q,1409
 ipyvasp/__main__.py,sha256=eJV1TZSiT8mC_VqAeksNnBI2I8mKMiPkEIlwikbtOjI,216
 ipyvasp/_enplots.py,sha256=D38paN8zqZgluNAwmCwcocd7-_h_T0HTGolI1eBkDes,37484
-ipyvasp/_lattice.py,sha256=8jaiSBz0cKfAwzkLQTCOvPNOBVeWtL5tahgp-LIoDdk,105571
-ipyvasp/_version.py,sha256=Oukmd6D0UJTqAdg4-8VB8ZHKeAiTHoyIqdUQToKmrkg,24
+ipyvasp/_lattice.py,sha256=kOseNCIWt-VCnkhFQZEcsXhyNYobjfqNfAl3seXHiVU,105584
+ipyvasp/_version.py,sha256=a8vf00AWThPvtWbMsZe2cs2snxbOV44qzhOo9OFielY,24
 ipyvasp/bsdos.py,sha256=JvYvHLqMp3eVaJ0amD-9kxp7FehQIFq3WFUxsO5dj0Q,31794
 ipyvasp/cli.py,sha256=aWFEVhNmnW8eSOp5uh95JaDwLQ9K9nlCQcbnOSuhWgw,6844
 ipyvasp/evals_dataframe.py,sha256=-sqxK7LPV6sYDO_XXmZ80FznOaXTkVdbqJKKvTUtMak,20637
-ipyvasp/lattice.py,sha256=sibDi_3rzMRVzwRNmF0rE1qLFWZdMKs9VCu66NLOmQM,33389
+ipyvasp/lattice.py,sha256=2hGSd1U4LaQOGBN79ALW9xaUpqBviHEtc8v0eg5JrE4,33532
 ipyvasp/misc.py,sha256=SZJ_ePUR2-HEKYTEpDHVRVE7zpIQVTCjiuw0BCC9UTU,2349
 ipyvasp/potential.py,sha256=tzA73c5lkp6ahLSJchMrU043-QWaOV0nIOUA7VMmfKQ,11408
 ipyvasp/surface.py,sha256=MjE5oB0wW6Pca_C-xu8rN6OMH7lUEeNPNyM7Kz_Im-8,23766
@@ -17,9 +17,9 @@ ipyvasp/core/parser.py,sha256=TmRoIhyIGJ4nr32tb1MAAy5clUZh0CQh-2hP8mnTaVc,38221
 ipyvasp/core/plot_toolkit.py,sha256=3RoPsND5gPssBSfS5H4TjoZ2Qz7B97vpxeKadc2cRRs,36046
 ipyvasp/core/serializer.py,sha256=-PvCDXZqaCTnwBY5CS_B7_cmnbKy3g6cfEOr_Nrbde8,38415
 ipyvasp/core/spatial_toolkit.py,sha256=dXowREhiFzBvvr5f_bApzFhf8IzjH2E2Ix90oCBUetY,14885
-ipyvasp-0.9.82.dist-info/LICENSE,sha256=F3SO5RiAZOMfmMGf1KOuk2g_c4ObvuBJhd9iBLDgXoQ,1263
-ipyvasp-0.9.82.dist-info/METADATA,sha256=QoQeGuDqagJcuMNorpZL9w8qW2IivoxL-5I_JvdOHWs,2421
-ipyvasp-0.9.82.dist-info/WHEEL,sha256=iYlv5fX357PQyRT2o6tw1bN-YcKFFHKqB_LwHO5wP-g,110
-ipyvasp-0.9.82.dist-info/entry_points.txt,sha256=C7m0Sjmr14wFjflCkWXLzr5N6-cQj8uJC9n82mUtzt8,44
-ipyvasp-0.9.82.dist-info/top_level.txt,sha256=ftziWlMWu_1VpDP1sRTFrkfBnWxAi393HYDVu4wRhUk,8
-ipyvasp-0.9.82.dist-info/RECORD,,
+ipyvasp-0.9.83.dist-info/LICENSE,sha256=F3SO5RiAZOMfmMGf1KOuk2g_c4ObvuBJhd9iBLDgXoQ,1263
+ipyvasp-0.9.83.dist-info/METADATA,sha256=KQ4mFvr0XH52M9cLR1LVC4LNd0LYVf8nVZJBMNSra0s,2421
+ipyvasp-0.9.83.dist-info/WHEEL,sha256=iYlv5fX357PQyRT2o6tw1bN-YcKFFHKqB_LwHO5wP-g,110
+ipyvasp-0.9.83.dist-info/entry_points.txt,sha256=C7m0Sjmr14wFjflCkWXLzr5N6-cQj8uJC9n82mUtzt8,44
+ipyvasp-0.9.83.dist-info/top_level.txt,sha256=ftziWlMWu_1VpDP1sRTFrkfBnWxAi393HYDVu4wRhUk,8
+ipyvasp-0.9.83.dist-info/RECORD,,