Merge branch 'mkphuthi/develop' of https://github.com/BattModels/asim…

…tools into mkphuthi/develop
BattModels · Dec 16, 2024 · 4511b8e · 4511b8e
2 parents 12a12e8 + f01815a
commit 4511b8e
Showing 1 changed file with 2 additions and 2 deletions.
diff --git a/asimtools/asimmodules/benchmarking/parity.py b/asimtools/asimmodules/benchmarking/parity.py
@@ -77,7 +77,7 @@ def calc_parity_data(
         if 'stress' in properties:
             prop = 'stress'
             srvals = np.hstack(
-                [srvals, np.array(atoms.get_stress()).flatten()]
+                [srvals, np.array(atoms.get_stress(voigt=False)).flatten()]
             )
 
             spvals = np.hstack(
@@ -200,7 +200,7 @@ def parity(
             res[prop][source] = np.hstack(
                 [reses[jj][prop][source] for jj in range(len(reses))]
             ) * unit_factor
-
+        print(f'{prop.capitalize()} RMSE: {rmse(res[prop]["ref"], res[prop]["pred"])}')
         write_csv_from_dict(
             f'{prop}_parity.csv',
             res[prop],