Removed output content from iPy notebooks

ipython/ARC ESS diagnostics.ipynb

@@ -1,99 +1,23 @@
 {
  "cells": [
   {
-   "cell_type": "code",
-   "execution_count": 1,
+   "cell_type": "markdown",
    "metadata": {},
-   "outputs": [
-    {
-     "name": "stderr",
-     "output_type": "stream",
-     "text": [
-      "Using Theano backend.\n"
-     ]
-    },
-    {
-     "name": "stdout",
-     "output_type": "stream",
-     "text": [
-      "ARC execution initiated on Tue Jun  4 10:43:03 2019\n",
-      "\n",
-      "###############################################################\n",
-      "#                                                             #\n",
-      "#                 Automatic Rate Calculator                   #\n",
-      "#                            ARC                              #\n",
-      "#                                                             #\n",
-      "#   Version: 1.0.0                                            #\n",
-      "#                                                             #\n",
-      "###############################################################\n",
-      "\n",
-      "The current git HEAD for ARC is:\n",
-      "    7e3cc3b3be02b926d33d3fd066ee9c1d60f12b2f\n",
-      "    Mon Jun 3 17:17:32 2019 -0400\n",
-      "\n",
-      "Starting project Diagnostics\n",
-      "Using default level b3lyp/6-31+g(d,p) for refined conformer searches (after filtering via force fields)\n",
-      "Using default level b3lyp/6-31+g(d,p) for TS guesses comparison of different methods\n",
-      "Using default level wb97xd/6-311++g(d,p) for geometry optimizations\n",
-      "Using default level wb97xd/6-311++g(d,p) for frequency calculations\n",
-      "Using default level ccsd(t)-f12/cc-pvtz-f12 for single point calculations\n",
-      "Using default level wb97xd/6-311++g(d,p) for rotor scans\n",
-      "\n",
-      "Using the following ESS settings:\n",
-      "{'gaussian': ['pharos']}\n",
-      "\n",
-      "Using ccsd(t)-f12/cc-pvtz-f12 as model chemistry for energy corrections in Arkane\n",
-      "\n",
-      "\n",
-      "\n",
-      " ***** Running ESS diagnostics: *****\n",
-      "\n",
-      "Found the following ESS on the local machine:\n",
-      "[u'orca']\n",
-      "\n",
-      "\n",
-      "\n",
-      "\n",
-      "Mapping servers...\n",
-      "\n",
-      "\n",
-      "Trying pharos\n",
-      "  Found Gaussian on pharos: g03=[], g09=[], g16=[u'/opt/g16/g16\\n']\n",
-      "  Did NOT find QChem on pharos\n",
-      "  Did NOT find Orca on pharos\n",
-      "  Did NOT find Molpro on pharos\n",
-      "\n",
-      "Trying rmg\n",
-      "  Found Gaussian on rmg: g03=[], g09=[], g16=[u'/opt/g16/g16\\n']\n",
-      "  Did NOT find QChem on rmg\n",
-      "  Found Orca on rmg\n",
-      "  Did NOT find Molpro on rmg\n",
-      "\n",
-      "\n",
-      "\n",
-      "Using Gaussian on ['pharos', 'rmg']\n",
-      "Using QChem on []\n",
-      "Using Orca on [u'local', 'rmg']\n",
-      "Using Molpro on []\n",
-      "\n",
-      "\n",
-      "ESS diagnostics completed (elapsed time: 00:00:13)\n"
-     ]
-    }
-   ],
    "source": [
-    "import arc\n",
-    "\n",
-    "arc0 = arc.ARC(project='Diagnostics')\n",
-    "arc0.determine_ess_settings(diagnostics=True)"
+    "### Determine electronic structure software (ESS) on available servers"
    ]
   },
   {
    "cell_type": "code",
    "execution_count": null,
    "metadata": {},
    "outputs": [],
-   "source": []
+   "source": [
+    "import arc\n",
+    "\n",
+    "arc0 = arc.ARC(project='Diagnostics')\n",
+    "arc0.determine_ess_settings(diagnostics=True)"
+   ]
   }
  ],
  "metadata": {