Use the SSSP/1.2/PBE/precision family instead of SSSP_modified (#67)

submit.ipynb

@@ -1,7 +1,6 @@
 {
  "cells": [
   {
-   "attachments": {},
    "cell_type": "markdown",
    "metadata": {},
    "source": [
@@ -35,28 +34,6 @@
     "NanoribbonWorkChain = plugins.WorkflowFactory('nanotech_empa.nanoribbon')"
    ]
   },
-  {
-   "cell_type": "code",
-   "execution_count": null,
-   "metadata": {},
-   "outputs": [],
-   "source": [
-    "# Check if the SSSP_modified is installed, if not, install it\n",
-    "\n",
-    "from aiida.orm import UpfFamily\n",
-    "from aiida.orm import QueryBuilder\n",
-    "\n",
-    "query = orm.QueryBuilder()\n",
-    "query.append(UpfFamily)\n",
-    "\n",
-    "if 'SSSP_modified' not in [u.label for u in query.all(flat=True)]:\n",
-    "    print(\"First time setup: setting up UPF SSSP_modified.\")\n",
-    "    ! wget -q https://polybox.ethz.ch/index.php/s/C4YaQ1zsmWXctk2/download -O $AIIDALAB_HOME/SSSP_modified.tar.gz\n",
-    "    ! tar xvf $AIIDALAB_HOME/SSSP_modified.tar.gz -C $AIIDALAB_HOME > /dev/null\n",
-    "    ! rm $AIIDALAB_HOME/SSSP_modified.tar.gz > /dev/null\n",
-    "    ! verdi data core.upf uploadfamily $AIIDALAB_HOME/SSSP_modified SSSP_modified \"SSSP modified\""
-   ]
-  },
   {
    "cell_type": "code",
    "execution_count": null,
@@ -283,7 +260,7 @@
     "        builder.structure = node_to_submit\n",
     "        builder.tot_charge = Float(tot_charge.value)\n",
     "        builder.precision = Float(1.0)\n",
-    "        builder.pseudo_family = Str('SSSP_modified')\n",
+    "        builder.pseudo_family = Str('SSSP/1.2/PBE/precision')\n",
     "        builder.metadata = {\n",
     "            \"description\": text_calc_description.value,\n",
     "            \"label\": \"NanoribbonWorkChain\",\n",