SPM notebook: temporary disable restart (#159)

Currently, the WFN restart is not working in the SPM notebook. We disable this feature for the moment.
nanotech-empa · Jun 16, 2023 · 6facee2 · 6facee2
1 parent c13ce96
commit 6facee2
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Showing 2 changed files with 8 additions and 19 deletions.
diff --git a/submit_pdos.ipynb b/submit_pdos.ipynb
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diff --git a/submit_spm.ipynb b/submit_spm.ipynb
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@@ -597,14 +592,14 @@
     "        builder.dft_params=dft_params\n",
     "        # Check if a restart wfn is available.\n",
     "        wave_function = None\n",
-    "        if structure_selector.structure_node.is_stored:\n",
-    "            wave_function = wfn.structure_available_wfn(\n",
-    "            node=structure_selector.structure_node,\n",
-    "            relative_replica_id=None,\n",
-    "            current_hostname=orm.load_node(cp2k_code.value).computer.hostname,\n",
-    "            return_path=False,\n",
-    "            dft_params=dft_params_dict,\n",
-    "            )\n",
+    "#         if structure_selector.structure_node.is_stored:\n",
+    "#             wave_function = wfn.structure_available_wfn(\n",
+    "#             node=structure_selector.structure_node,\n",
+    "#             relative_replica_id=None,\n",
+    "#             current_hostname=orm.load_node(cp2k_code.value).computer.hostname,\n",
+    "#             return_path=False,\n",
+    "#             dft_params=dft_params_dict,\n",
+    "#             )\n",
     "        if wave_function is not None:\n",
     "            print(f\"Restarting from wfn in folder: {wave_function.pk}\")\n",
     "            builder.parent_calc_folder = wave_function\n",