Fix tutorials (#577)

Author: ElliottKasoar

docs/source/tutorials/cli/singlepoint.ipynb

@@ -661,7 +661,7 @@
     "\n",
     "One useful example is passing options that are specific to an MLIP calculator.\n",
     "\n",
-    "For example, MACE has an option to run with D3 dispersion correction, through the `dispersion` option. In the command-line, this can be set using:"
+    "For example, all MLIPs have an option to run with D3 dispersion correction, through the `dispersion` option. In the command-line, this can be set using:"
    ]
   },
   {
@@ -721,7 +721,7 @@
     "dispersion_results = read(\"janus_results/NaCl-dispersion-results.extxyz\")\n",
     "\n",
     "print(f\"Original results: {results.info['mace_mp_energy']}\")\n",
-    "print(f\"Results with dispersion correction: {dispersion_results.info['mace_mp_energy']}\")"
+    "print(f\"Results with dispersion correction: {dispersion_results.info['mace_mp_d3_energy']}\")"
    ]
   }
  ],

docs/source/tutorials/python/geom_opt.ipynb

@@ -111,7 +111,7 @@
    "source": [
     "get_data(\n",
     "    url=\"https://raw.githubusercontent.com/stfc/janus-core/main/docs/source/tutorials/data/\",\n",
-    "    filename=[\"NaCl-deformed.cif\"],\n",
+    "    filename=[\"NaCl-deformed.xyz\"],\n",
     "    folder=\"data\",\n",
     ")"
    ]
@@ -129,7 +129,7 @@
    "metadata": {},
    "outputs": [],
    "source": [
-    "NaCl = read(\"data/NaCl-deformed.cif\")\n",
+    "NaCl = read(\"data/NaCl-deformed.xyz\")\n",
     "NaCl.wrap()\n",
     "v=WeasWidget()\n",
     "v.from_ase(NaCl)\n",