fixed fine-tuning example

CederGroupHub · Aug 27, 2024 · be9bab9 · be9bab9
1 parent aab43e4
commit be9bab9
Showing 1 changed file with 3 additions and 3 deletions.
diff --git a/examples/fine_tuning.ipynb b/examples/fine_tuning.ipynb
@@ -16,10 +16,10 @@
    "outputs": [],
    "source": [
     "try:\n",
-    "    import chgnet\n",
+    "    from chgnet.model import CHGNet\n",
     "except ImportError:\n",
     "    # install CHGNet (only needed on Google Colab or if you didn't install CHGNet yet)\n",
-    "    !pip install chgnet"
+    "    !pip install chgnet."
    ]
   },
   {
@@ -213,7 +213,7 @@
     "    lmo = Structure.from_str(cif, fmt=\"cif\")\n",
     "\n",
     "structures, energies_per_atom, forces, stresses, magmoms = [], [], [], [], []\n",
-    "\n",
+    "chgnet = CHGNet.load()\n",
     "for _ in range(100):\n",
     "    structure = lmo.copy()\n",
     "    # stretch the cell by a small amount\n",