diff --git a/Interactive-Tutorials/05_Moller-Plesset/5a_conventional-mp2.ipynb b/Interactive-Tutorials/05_Moller-Plesset/5a_conventional-mp2.ipynb index 26f96dfd..f17ae28c 100644 --- a/Interactive-Tutorials/05_Moller-Plesset/5a_conventional-mp2.ipynb +++ b/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')" diff --git a/Interactive-Tutorials/05_Moller-Plesset/5b_density-fitted-mp2.ipynb b/Interactive-Tutorials/05_Moller-Plesset/5b_density-fitted-mp2.ipynb index bf53a6e6..e540d747 100644 --- a/Interactive-Tutorials/05_Moller-Plesset/5b_density-fitted-mp2.ipynb +++ b/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\u001b[0m in \u001b[0;36m\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')"