Merge pull request #1393 from pyiron/first-steps-update

Update first_steps.ipynb
pyiron · Apr 18, 2024 · cd7bb5c · cd7bb5c
2 parents 337682e + 61ebaf2
commit cd7bb5c
Showing 1 changed file with 3 additions and 3 deletions.
diff --git a/notebooks/first_steps.ipynb b/notebooks/first_steps.ipynb
@@ -133,7 +133,7 @@
     }
    ],
    "source": [
-    "basis = pr.create_ase_bulk('Al', cubic=True)\n",
+    "basis = pr.create.structure.ase.bulk('Al', cubic=True)\n",
     "supercell_3x3x3 = basis.repeat([3, 3, 3])\n",
     "supercell_3x3x3.plot3d()"
    ]
@@ -520,8 +520,8 @@
     "for job in pr.iter_jobs(convert_to_object=False):\n",
     "    volumes = job['output/generic/volume']\n",
     "    temperatures = job['output/generic/temperature']\n",
-    "    temp_lst.append(np.mean(temperatures[:-20]))\n",
-    "    vol_lst.append(np.mean(volumes[:-20]))"
+    "    temp_lst.append(np.mean(temperatures[20:]))\n",
+    "    vol_lst.append(np.mean(volumes[20:]))"
    ]
   },
   {