Merge pull request #24 from SMTG-UCL/develop

Develop

.github/workflows/release.yml

@@ -50,7 +50,6 @@ jobs:
       - name: Write release info
         run: |
           awk 'BEGIN {p = 0} {a = 0 }; /^v\d*.\d*.\d*./ { p += 1; a = 1}; p + a == 1 { print } ' CHANGELOG.rst | sed -e '1,1d' | sed  -e '/./,$!d' -e :a -e '/^\n*$/{$d;N;ba' -e '}' > release_info.txt
-
       - name: Release
         uses: actions/create-release@v1
         id: create_release

CHANGELOG.rst

@@ -1,6 +1,17 @@
 Change Log
 ==========
 
+v22.9.2
+--------
+
+Main changes:
+
+- Update CLI commands (snb-parse, analyse, plot and groundstate can all now be run with no arguments within a defect folder)
+- Update custom font
+- Update groundstate() tests
+- Update plotting
+
+
 v22.9.1
 --------
 

docs/Analysis.rst

@@ -68,16 +68,22 @@ which will generate a figure like the one below:
 .. image:: ./vac_1_Cd_0.svg
     :width: 400px
 
+..
+    data from example_results folder
+
 We can make these plots more informative by adding a colorbar measuring the structural
 similarity between the structures:
 
 .. code:: bash
 
     $ snb-plot --defect vac_1_Cd_0 --path defects_folder --colorbar
 
-.. image:: ./vac_1_Cd_0_colobar.svg
+.. image:: ./vac_1_Cd_0_colorbar.svg
     :width: 400px
 
+..
+    data from example_results folder
+
 Second round of structure searching
 ---------------------------------------
 After the defects undergoing energy lowering distortions have been identified,