update reference errors to daisy chain example

libAtoms · Jul 29, 2024 · 9dcb7e9 · 9dcb7e9
1 parent 27980ed
commit 9dcb7e9
Showing 1 changed file with 6 additions and 7 deletions.
diff --git a/docs/source/examples.daisy_chain_mlip_fitting.ipynb b/docs/source/examples.daisy_chain_mlip_fitting.ipynb
@@ -620,14 +620,13 @@
     "\n",
     "ref_errors = {\n",
     "    'atomization_energy/atom': {\n",
-    "        'train': {'RMSE': 0.026086070005729697, 'MAE': 0.02188233965637977, 'count': 50},\n",
-    "        '_ALL_': {'RMSE': 0.02631013293566519, 'MAE': 0.02217457525203221, 'count': 100},\n",
-    "        'test': {'RMSE': 0.026532303741682858, 'MAE': 0.02246681084768465, 'count': 50}},\n",
+    "        'train': {'RMSE': 0.020425437431681327, 'MAE': 0.016212666323964592, 'count': 50}, \n",
+    "        '_ALL_': {'RMSE': 0.01965484792256244, 'MAE': 0.015378010911287552, 'count': 100}, \n",
+    "        'test': {'RMSE': 0.01885278757750655, 'MAE': 0.014543355498610513, 'count': 50}}, \n",
     "    'forces/comp': {\n",
-    "        'train': {'RMSE': 0.6700484048236104, 'MAE': 0.48912067870708253, 'count': 5097},\n",
-    "        '_ALL_': {'RMSE': 0.674843619212047, 'MAE': 0.49305958821652923, 'count': 10188},\n",
-    "        'test': {'RMSE': 0.6796105918104188, 'MAE': 0.49700313992928696, 'count': 5091}}\n",
-    "}\n",
+    "        'train': {'RMSE': 0.6318812940305143, 'MAE': 0.4633571169452562, 'count': 5133},\n",
+    "        '_ALL_': {'RMSE': 0.6455044814693653, 'MAE': 0.4741960245074422, 'count': 10212}, \n",
+    "        'test': {'RMSE': 0.6589864341996843, 'MAE': 0.48515017148848205, 'count': 5079}}}\n",
     "\n",
     "print(errors)\n",
     "\n",