Merge pull request #30 from nanotech-empa/release/1.2.1

Release/1.2.1
nanotech-empa · Feb 12, 2021 · 95833d9 · 95833d9
2 parents 1d5329f + 748d118
commit 95833d9
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Showing 4 changed files with 6 additions and 9 deletions.
diff --git a/metadata.json b/metadata.json
@@ -2,6 +2,6 @@
     "authors": "nanotech@surfaces laboratory, Empa",
     "description": "Tools for graphene nanoribbons, developed at the nanotech@surfaces laboratory, Empa",
     "title": "Empa nanotech@surfaces Laboratory - Graphene nanoribbons",
-    "version": "1.2.0",
+    "version": "1.2.1",
     "logo": "miscellaneous/logos/empa.png"
 }
diff --git a/nanoribbon/viewers/show_computed.py b/nanoribbon/viewers/show_computed.py
@@ -554,6 +554,10 @@ def __init__(self, workcalc, **kwargs):
         self.nkpoints_lowres = prev_calc.res.number_of_k_points
 
         self.bands_lowres = prev_calc.outputs.output_band.get_bands() # [spin, kpt, band]
+        # In case of RKS calculation, the spin dimension is not present, add it for convenience
+        if self.bands_lowres.ndim == 2:
+            self.bands_lowres = np.expand_dims(self.bands_lowres, axis=0)
+
         self.vacuum_level = self._workcalc.get_extra('vacuum_level')
 
         self.list_of_calcs = []

diff --git a/setup.json b/setup.json
@@ -1,5 +1,5 @@
 {
-    "version": "1.2.0",
+    "version": "1.2.1",
     "name": "empa-nanoribbons",
     "url": "https://github.com/cpignedoli/aiidalab-empa-nanoribbons",
     "license": "MIT License",

diff --git a/show.ipynb b/show.ipynb
@@ -49,13 +49,6 @@
    "source": [
     "display(nanoribbon_viewer)"
    ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": null,
-   "metadata": {},
-   "outputs": [],
-   "source": []
   }
  ],
  "metadata": {