Finished clearing output from MP2 module.

Author: dsirianni

Interactive-Tutorials/05_Moller-Plesset/5a_conventional-mp2.ipynb

@@ -81,7 +81,7 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 2,
+   "execution_count": null,
    "metadata": {
     "collapsed": true
    },
@@ -105,7 +105,7 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 3,
+   "execution_count": null,
    "metadata": {
     "collapsed": true
    },
@@ -136,7 +136,7 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 4,
+   "execution_count": null,
    "metadata": {
     "collapsed": true
    },
@@ -155,7 +155,7 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 5,
+   "execution_count": null,
    "metadata": {
     "collapsed": true
    },
@@ -181,20 +181,11 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 6,
+   "execution_count": null,
    "metadata": {
     "collapsed": false
    },
-   "outputs": [
-    {
-     "name": "stdout",
-     "output_type": "stream",
-     "text": [
-      "\n",
-      "Size of the ERI tensor will be 0.00 GB.\n"
-     ]
-    }
-   ],
+   "outputs": [],
    "source": [
     "# ==> ERIs <==\n",
     "# Create instance of MintsHelper class\n",
@@ -242,7 +233,7 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 7,
+   "execution_count": null,
    "metadata": {
     "collapsed": true
    },
@@ -264,19 +255,11 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 8,
+   "execution_count": null,
    "metadata": {
     "collapsed": false
    },
-   "outputs": [
-    {
-     "name": "stdout",
-     "output_type": "stream",
-     "text": [
-      "Do our transformed ERIs match Psi4's? True\n"
-     ]
-    }
-   ],
+   "outputs": [],
    "source": [
     "# ==> Compare our Imo to MintsHelper <==\n",
     "Co = scf_wfn.Ca_subset('AO','OCC')\n",
@@ -316,7 +299,7 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 9,
+   "execution_count": null,
    "metadata": {
     "collapsed": false
    },
@@ -336,19 +319,11 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 10,
+   "execution_count": null,
    "metadata": {
     "collapsed": false
    },
-   "outputs": [
-    {
-     "name": "stdout",
-     "output_type": "stream",
-     "text": [
-      "\tMP2 Energy........................................................PASSED\n"
-     ]
-    }
-   ],
+   "outputs": [],
    "source": [
     "# ==> Compare to Psi4 <==\n",
     "psi4.driver.p4util.compare_values(psi4.energy('mp2'), MP2_E, 6, 'MP2 Energy')"

Interactive-Tutorials/05_Moller-Plesset/5b_density-fitted-mp2.ipynb

@@ -20,7 +20,7 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 1,
+   "execution_count": null,
    "metadata": {
     "collapsed": true
    },
@@ -37,7 +37,7 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 2,
+   "execution_count": null,
    "metadata": {
     "collapsed": false
    },
@@ -85,7 +85,7 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 5,
+   "execution_count": null,
    "metadata": {
     "collapsed": false
    },
@@ -127,7 +127,7 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 6,
+   "execution_count": null,
    "metadata": {
     "collapsed": false
    },
@@ -172,23 +172,11 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 1,
+   "execution_count": null,
    "metadata": {
     "collapsed": false
    },
-   "outputs": [
-    {
-     "ename": "NameError",
-     "evalue": "name 'e_ab' is not defined",
-     "output_type": "error",
-     "traceback": [
-      "\u001b[0;31m---------------------------------------------------------------------------\u001b[0m",
-      "\u001b[0;31mNameError\u001b[0m                                 Traceback (most recent call last)",
-      "\u001b[0;32m<ipython-input-1-8caf388a074f>\u001b[0m in \u001b[0;36m<module>\u001b[0;34m()\u001b[0m\n\u001b[1;32m      1\u001b[0m \u001b[0;31m# ==> Build VV Epsilon Tensor <==\u001b[0m\u001b[0;34m\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[0;32m----> 2\u001b[0;31m \u001b[0me_vv\u001b[0m \u001b[0;34m=\u001b[0m \u001b[0me_ab\u001b[0m\u001b[0;34m.\u001b[0m\u001b[0mreshape\u001b[0m\u001b[0;34m(\u001b[0m\u001b[0;34m-\u001b[0m\u001b[0;36m1\u001b[0m\u001b[0;34m,\u001b[0m \u001b[0;36m1\u001b[0m\u001b[0;34m)\u001b[0m \u001b[0;34m+\u001b[0m \u001b[0me_ab\u001b[0m\u001b[0;34m\u001b[0m\u001b[0m\n\u001b[0m",
-      "\u001b[0;31mNameError\u001b[0m: name 'e_ab' is not defined"
-     ]
-    }
-   ],
+   "outputs": [],
    "source": [
     "# ==> Build VV Epsilon Tensor <==\n",
     "e_vv = e_ab.reshape(-1, 1) + e_ab"
@@ -213,7 +201,7 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 74,
+   "execution_count": null,
    "metadata": {
     "collapsed": false
    },
@@ -255,19 +243,11 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 75,
+   "execution_count": null,
    "metadata": {
     "collapsed": false
    },
-   "outputs": [
-    {
-     "name": "stdout",
-     "output_type": "stream",
-     "text": [
-      "\tMP2 Energy........................................................PASSED\n"
-     ]
-    }
-   ],
+   "outputs": [],
    "source": [
     "# ==> Compare to Psi4 <==\n",
     "psi4.driver.p4util.compare_values(psi4.energy('mp2'), MP2_E, 6, 'MP2 Energy')"