examples/openfermionpyscf_demo.ipynb

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    "## Running PySCF to populate the OpenFermion MolecularData class\n",
    "\n",
    "The module run_pyscf.py provides a user-friendly way of running PySCF calculations in OpenFermion. The basic idea is that once one generates a MolecularData instance, one can then call PySCF with a specification of certain options (for instance, how much memory to use and what calculations to do) in order to compute things about the molecule, update the MolecularData object, and save results of the calculation. The most common calculations users will want in OpenFermion would probably be self-consistent field (aka Hartree-Fock calculations). Our code uses these \"SCF\" calculations compute orbitals, integrals, Hartree-Fock energy, and more. Other common calculations are CISD and FCI calculations which also compute the 1-RDM and 2-RDM associated with their answers, CCSD calculations which also compute the CCSD amplitudes (useful for UCC) and MP2 calculations which can also be used to UCCSD initial guesses. Note that the \"delete_input\" and \"delete_output\" options indicate whether to save automatically generated pyscf input files or not. To use this plugin, you will need to personally download PySCF.\n",
    "\n",
    "Warnings: electronic structure calculations are finicky. They sometimes fail for surprising reasons. See the PySCF documentation for more information or consult and electronic structure theory expert."
   ]
  },
  {
   "cell_type": "code",
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   "metadata": {},
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "\n",
      "At bond length of 0.275 angstrom, molecular hydrogen has:\n",
      "Hartree-Fock energy of -0.46576369202201073 Hartree.\n",
      "MP2 energy of -0.47148376317105634 Hartree.\n",
      "FCI energy of -0.4733700032133248 Hartree.\n",
      "Nuclear repulsion energy between protons is 1.924280766981818 Hartree.\n",
      "Spatial orbital 0 has energy of -0.8173400009356641 Hartree.\n",
      "Spatial orbital 1 has energy of 1.4209358488233526 Hartree.\n",
      "\n",
      "At bond length of 0.35 angstrom, molecular hydrogen has:\n",
      "Hartree-Fock energy of -0.7804549020715255 Hartree.\n",
      "MP2 energy of -0.7869330192714304 Hartree.\n",
      "FCI energy of -0.7892693924044141 Hartree.\n",
      "Nuclear repulsion energy between protons is 1.5119348883428574 Hartree.\n",
      "Spatial orbital 0 has energy of -0.7738122191065239 Hartree.\n",
      "Spatial orbital 1 has energy of 1.2661364723625192 Hartree.\n",
      "\n",
      "At bond length of 0.425 angstrom, molecular hydrogen has:\n",
      "Hartree-Fock energy of -0.9500662941995572 Hartree.\n",
      "MP2 energy of -0.9574677535632835 Hartree.\n",
      "FCI energy of -0.9603937574322665 Hartree.\n",
      "Nuclear repulsion energy between protons is 1.2451228492235296 Hartree.\n",
      "Spatial orbital 0 has energy of -0.7312247424842614 Hartree.\n",
      "Spatial orbital 1 has energy of 1.1202060156042737 Hartree.\n",
      "\n",
      "At bond length of 0.5 angstrom, molecular hydrogen has:\n",
      "Hartree-Fock energy of -1.042996274540095 Hartree.\n",
      "MP2 energy of -1.0514860696249677 Hartree.\n",
      "FCI energy of -1.0551597944706257 Hartree.\n",
      "Nuclear repulsion energy between protons is 1.05835442184 Hartree.\n",
      "Spatial orbital 0 has energy of -0.6908223286619279 Hartree.\n",
      "Spatial orbital 1 has energy of 0.9886736730022132 Hartree.\n",
      "\n",
      "At bond length of 0.575 angstrom, molecular hydrogen has:\n",
      "Hartree-Fock energy of -1.091570496777186 Hartree.\n",
      "MP2 energy of -1.1013170752841768 Hartree.\n",
      "FCI energy of -1.105918053253995 Hartree.\n",
      "Nuclear repulsion energy between protons is 0.9203081929043481 Hartree.\n",
      "Spatial orbital 0 has energy of -0.6529368383208868 Hartree.\n",
      "Spatial orbital 1 has energy of 0.8731057514430565 Hartree.\n",
      "\n",
      "At bond length of 0.6499999999999999 angstrom, molecular hydrogen has:\n",
      "Hartree-Fock energy of -1.1129965456691684 Hartree.\n",
      "MP2 energy of -1.1241742963416466 Hartree.\n",
      "FCI energy of -1.1299047843229135 Hartree.\n",
      "Nuclear repulsion energy between protons is 0.8141187860307694 Hartree.\n",
      "Spatial orbital 0 has energy of -0.6176054632350665 Hartree.\n",
      "Spatial orbital 1 has energy of 0.7730229954389312 Hartree.\n",
      "\n",
      "At bond length of 0.7250000000000001 angstrom, molecular hydrogen has:\n",
      "Hartree-Fock energy of -1.1173432691225824 Hartree.\n",
      "MP2 energy of -1.1301354011287876 Hartree.\n",
      "FCI energy of -1.1372213770723039 Hartree.\n",
      "Nuclear repulsion energy between protons is 0.7298996012689655 Hartree.\n",
      "Spatial orbital 0 has energy of -0.584812015544237 Hartree.\n",
      "Spatial orbital 1 has energy of 0.6868770894710645 Hartree.\n",
      "\n",
      "At bond length of 0.8 angstrom, molecular hydrogen has:\n",
      "Hartree-Fock energy of -1.1108503974765953 Hartree.\n",
      "MP2 energy of -1.1254535339931437 Hartree.\n",
      "FCI energy of -1.1341476666770964 Hartree.\n",
      "Nuclear repulsion energy between protons is 0.66147151365 Hartree.\n",
      "Spatial orbital 0 has energy of -0.5544958811314894 Hartree.\n",
      "Spatial orbital 1 has energy of 0.6126180867352472 Hartree.\n",
      "\n",
      "At bond length of 0.875 angstrom, molecular hydrogen has:\n",
      "Hartree-Fock energy of -1.0974543197010043 Hartree.\n",
      "MP2 energy of -1.1140843631590112 Hartree.\n",
      "FCI energy of -1.1246717535661337 Hartree.\n",
      "Nuclear repulsion energy between protons is 0.604773955337143 Hartree.\n",
      "Spatial orbital 0 has energy of -0.526513679939084 Hartree.\n",
      "Spatial orbital 1 has energy of 0.5481329834197314 Hartree.\n",
      "\n",
      "At bond length of 0.95 angstrom, molecular hydrogen has:\n",
      "Hartree-Fock energy of -1.079636928210372 Hartree.\n",
      "MP2 energy of -1.098534484440576 Hartree.\n",
      "FCI energy of -1.1113394177361502 Hartree.\n",
      "Nuclear repulsion energy between protons is 0.5570286430736843 Hartree.\n",
      "Spatial orbital 0 has energy of -0.5006430534081516 Hartree.\n",
      "Spatial orbital 1 has energy of 0.4915605101549557 Hartree.\n",
      "\n",
      "At bond length of 1.025 angstrom, molecular hydrogen has:\n",
      "Hartree-Fock energy of -1.0589807101327922 Hartree.\n",
      "MP2 energy of -1.0804144798106843 Hartree.\n",
      "FCI energy of -1.095804876013464 Hartree.\n",
      "Nuclear repulsion energy between protons is 0.5162704496780488 Hartree.\n",
      "Spatial orbital 0 has energy of -0.4766262716426409 Hartree.\n",
      "Spatial orbital 1 has energy of 0.441437629682608 Hartree.\n",
      "\n",
      "At bond length of 1.0999999999999999 angstrom, molecular hydrogen has:\n",
      "Hartree-Fock energy of -1.03653887502918 Hartree.\n",
      "MP2 energy of -1.060806453195768 Hartree.\n",
      "FCI energy of -1.0791929449690745 Hartree.\n",
      "Nuclear repulsion energy between protons is 0.4810701917454546 Hartree.\n",
      "Spatial orbital 0 has energy of -0.4542186941186985 Hartree.\n",
      "Spatial orbital 1 has energy of 0.39669591114496916 Hartree.\n",
      "\n",
      "At bond length of 1.175 angstrom, molecular hydrogen has:\n",
      "Hartree-Fock energy of -1.013060997725848 Hartree.\n",
      "MP2 energy of -1.0404875302394085 Hartree.\n",
      "FCI energy of -1.0623154166831814 Hartree.\n",
      "Nuclear repulsion energy between protons is 0.4503635837617021 Hartree.\n",
      "Spatial orbital 0 has energy of -0.4332180175211452 Hartree.\n",
      "Spatial orbital 1 has energy of 0.3565744529574856 Hartree.\n",
      "\n",
      "At bond length of 1.25 angstrom, molecular hydrogen has:\n",
      "Hartree-Fock energy of -0.9891138140908918 Hartree.\n",
      "MP2 energy of -1.0200494156409707 Hartree.\n",
      "FCI energy of -1.0457831445498016 Hartree.\n",
      "Nuclear repulsion energy between protons is 0.42334176873600005 Hartree.\n",
      "Spatial orbital 0 has energy of -0.413471036648982 Hartree.\n",
      "Spatial orbital 1 has energy of 0.3205155543720933 Hartree.\n",
      "\n",
      "At bond length of 1.325 angstrom, molecular hydrogen has:\n",
      "Hartree-Fock energy of -0.9651389795857086 Hartree.\n",
      "MP2 energy of -0.9999557388078738 Hartree.\n",
      "FCI energy of -1.0300566111312586 Hartree.\n",
      "Nuclear repulsion energy between protons is 0.399379027109434 Hartree.\n",
      "Spatial orbital 0 has energy of -0.3948663846359507 Hartree.\n",
      "Spatial orbital 1 has energy of 0.2880813977524425 Hartree.\n",
      "\n",
      "At bond length of 1.4 angstrom, molecular hydrogen has:\n",
      "Hartree-Fock energy of -0.9414806547077978 Hartree.\n",
      "MP2 energy of -0.980569709565992 Hartree.\n",
      "FCI energy of -1.0154682492882448 Hartree.\n",
      "Nuclear repulsion energy between protons is 0.37798372208571435 Hartree.\n",
      "Spatial orbital 0 has energy of -0.37732282536945516 Hartree.\n",
      "Spatial orbital 1 has energy of 0.2589019745865794 Hartree.\n",
      "\n",
      "At bond length of 1.4749999999999999 angstrom, molecular hydrogen has:\n",
      "Hartree-Fock energy of -0.9184020557161309 Hartree.\n",
      "MP2 energy of -0.9621708709671556 Hartree.\n",
      "FCI energy of -1.0022359731038093 Hartree.\n",
      "Nuclear repulsion energy between protons is 0.3587642107932204 Hartree.\n",
      "Spatial orbital 0 has energy of -0.3607788085045664 Hartree.\n",
      "Spatial orbital 1 has energy of 0.2326486343232035 Hartree.\n",
      "\n",
      "At bond length of 1.5499999999999998 angstrom, molecular hydrogen has:\n",
      "Hartree-Fock energy of -0.8960989583249407 Hartree.\n",
      "MP2 energy of -0.9449687091655203 Hartree.\n",
      "FCI energy of -0.9904763409366254 Hartree.\n",
      "Nuclear repulsion energy between protons is 0.34140465220645166 Hartree.\n",
      "Spatial orbital 0 has energy of -0.34518506564892704 Hartree.\n",
      "Spatial orbital 1 has energy of 0.20902323714127763 Hartree.\n",
      "\n",
      "At bond length of 1.625 angstrom, molecular hydrogen has:\n",
      "Hartree-Fock energy of -0.8747120200718277 Hartree.\n",
      "MP2 energy of -0.9291149046731828 Hartree.\n",
      "FCI energy of -0.9802196397740324 Hartree.\n",
      "Nuclear repulsion energy between protons is 0.3256475144123077 Hartree.\n",
      "Spatial orbital 0 has energy of -0.3304998751988645 Hartree.\n",
      "Spatial orbital 1 has energy of 0.18775460843350983 Hartree.\n",
      "\n",
      "At bond length of 1.7 angstrom, molecular hydrogen has:\n",
      "Hartree-Fock energy of -0.8543376269512916 Hartree.\n",
      "MP2 energy of -0.9147139586114335 Hartree.\n",
      "FCI energy of -0.9714266884583406 Hartree.\n",
      "Nuclear repulsion energy between protons is 0.3112807123058824 Hartree.\n",
      "Spatial orbital 0 has energy of -0.3166860454376414 Hartree.\n",
      "Spatial orbital 1 has energy of 0.1685973225429923 Hartree.\n",
      "\n",
      "At bond length of 1.775 angstrom, molecular hydrogen has:\n",
      "Hartree-Fock energy of -0.8350368194547981 Hartree.\n",
      "MP2 energy of -0.9018318336255917 Hartree.\n",
      "FCI energy of -0.9640064020312284 Hartree.\n",
      "Nuclear repulsion energy between protons is 0.2981280061521127 Hartree.\n",
      "Spatial orbital 0 has energy of -0.30370886199958386 Hartree.\n",
      "Spatial orbital 1 has energy of 0.15133057693444824 Hartree.\n"
     ]
    },
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     "text": [
      "\n",
      "At bond length of 1.8499999999999999 angstrom, molecular hydrogen has:\n",
      "Hartree-Fock energy of -0.8168422922508727 Hartree.\n",
      "MP2 energy of -0.8905026988722495 Hartree.\n",
      "FCI energy of -0.9578329678685789 Hartree.\n",
      "Nuclear repulsion energy between protons is 0.28604173563243246 Hartree.\n",
      "Spatial orbital 0 has energy of -0.29153460879374643 Hartree.\n",
      "Spatial orbital 1 has energy of 0.13575653449662808 Hartree.\n",
      "\n",
      "At bond length of 1.9249999999999998 angstrom, molecular hydrogen has:\n",
      "Hartree-Fock energy of -0.7997638281473747 Hartree.\n",
      "MP2 energy of -0.8807342139894813 Hartree.\n",
      "FCI energy of -0.9527614857390079 Hartree.\n",
      "Nuclear repulsion energy between protons is 0.27489725242597407 Hartree.\n",
      "Spatial orbital 0 has energy of -0.28012953152597103 Hartree.\n",
      "Spatial orbital 1 has energy of 0.12169823435424161 Hartree.\n",
      "\n",
      "At bond length of 1.9999999999999998 angstrom, molecular hydrogen has:\n",
      "Hartree-Fock energy of -0.7837926542773529 Hartree.\n",
      "MP2 energy of -0.8725118764674618 Hartree.\n",
      "FCI energy of -0.9486411121761856 Hartree.\n",
      "Nuclear repulsion energy between protons is 0.26458860546000007 Hartree.\n",
      "Spatial orbital 0 has energy of -0.26945922365552716 Hartree.\n",
      "Spatial orbital 1 has energy of 0.1089973695491799 Hartree.\n",
      "\n",
      "At bond length of 2.075 angstrom, molecular hydrogen has:\n",
      "Hartree-Fock energy of -0.7689051449297484 Hartree.\n",
      "MP2 energy of -0.8658028521389788 Hartree.\n",
      "FCI energy of -0.9453251248342422 Hartree.\n",
      "Nuclear repulsion energy between protons is 0.25502516188915664 Hartree.\n",
      "Spatial orbital 0 has energy of -0.2594884201231308 Hartree.\n",
      "Spatial orbital 1 has energy of 0.09751218760149999 Hartree.\n",
      "\n",
      "At bond length of 2.15 angstrom, molecular hydrogen has:\n",
      "Hartree-Fock energy of -0.7550661408488423 Hartree.\n",
      "MP2 energy of -0.8605595209374232 Hartree.\n",
      "FCI energy of -0.9426777856962735 Hartree.\n",
      "Nuclear repulsion energy between protons is 0.24612893531162794 Hartree.\n",
      "Spatial orbital 0 has energy of -0.2501811430599045 Hartree.\n",
      "Spatial orbital 1 has energy of 0.08711565426939805 Hartree.\n",
      "\n",
      "At bond length of 2.225 angstrom, molecular hydrogen has:\n",
      "Hartree-Fock energy of -0.7422319931586394 Hartree.\n",
      "MP2 energy of -0.8567227916776577 Hartree.\n",
      "FCI energy of -0.9405782941246521 Hartree.\n",
      "Nuclear repulsion energy between protons is 0.23783245434606745 Hartree.\n",
      "Spatial orbital 0 has energy of -0.24150109976938902 Hartree.\n",
      "Spatial orbital 1 has energy of 0.07769391261659239 Hartree.\n",
      "\n",
      "At bond length of 2.3000000000000003 angstrom, molecular hydrogen has:\n",
      "Hartree-Fock energy of -0.7303533213548863 Hartree.\n",
      "MP2 energy of -0.854225123200837 Hartree.\n",
      "FCI energy of -0.9389223859872742 Hartree.\n",
      "Nuclear repulsion energy between protons is 0.23007704822608696 Hartree.\n",
      "Spatial orbital 0 has energy of -0.23341221004999116 Hartree.\n",
      "Spatial orbital 1 has energy of 0.06914499850359593 Hartree.\n",
      "\n",
      "At bond length of 2.375 angstrom, molecular hydrogen has:\n",
      "Hartree-Fock energy of -0.7193774167204108 Hartree.\n",
      "MP2 energy of -0.8529931494831721 Hartree.\n",
      "FCI energy of -0.9376222324118668 Hartree.\n",
      "Nuclear repulsion energy between protons is 0.22281145722947368 Hartree.\n",
      "Spatial orbital 0 has energy of -0.2258791437571641 Hartree.\n",
      "Spatial orbital 1 has energy of 0.06137774272201321 Hartree.\n",
      "\n",
      "At bond length of 2.45 angstrom, molecular hydrogen has:\n",
      "Hartree-Fock energy of -0.7092502192393472 Hartree.\n",
      "MP2 energy of -0.8529498300639605 Hartree.\n",
      "FCI energy of -0.9366052564161927 Hartree.\n",
      "Nuclear repulsion energy between protons is 0.21599069833469386 Hartree.\n",
      "Spatial orbital 0 has energy of -0.21886777545208091 Hartree.\n",
      "Spatial orbital 1 has energy of 0.05431078984593042 Hartree.\n",
      "\n",
      "At bond length of 2.525 angstrom, molecular hydrogen has:\n",
      "Hartree-Fock energy of -0.6999178290647486 Hartree.\n",
      "MP2 energy of -0.854016106823255 Hartree.\n",
      "FCI energy of -0.9358123741836938 Hartree.\n",
      "Nuclear repulsion energy between protons is 0.20957513303762376 Hartree.\n",
      "Spatial orbital 0 has energy of -0.2123455007449538 Hartree.\n",
      "Spatial orbital 1 has energy of 0.047871681518727865 Hartree.\n",
      "\n",
      "At bond length of 2.6 angstrom, molecular hydrogen has:\n",
      "Hartree-Fock energy of -0.6913275611973775 Hartree.\n",
      "MP2 energy of -0.856112114321373 Hartree.\n",
      "FCI energy of -0.9351960308474738 Hartree.\n",
      "Nuclear repulsion energy between protons is 0.20352969650769231 Hartree.\n",
      "Spatial orbital 0 has energy of -0.20628139769957943 Hartree.\n",
      "Spatial orbital 1 has energy of 0.04199597557190842 Hartree.\n",
      "\n",
      "At bond length of 2.6750000000000003 angstrom, molecular hydrogen has:\n",
      "Hartree-Fock energy of -0.6834285962970218 Hartree.\n",
      "MP2 energy of -0.8591580411790538 Hartree.\n",
      "FCI energy of -0.9347182719512951 Hartree.\n",
      "Nuclear repulsion energy between protons is 0.19782325641869158 Hartree.\n",
      "Spatial orbital 0 has energy of -0.2006462482136592 Hartree.\n",
      "Spatial orbital 1 has energy of 0.03662639378636844 Hartree.\n",
      "\n",
      "At bond length of 2.75 angstrom, molecular hydrogen has:\n",
      "Hartree-Fock energy of -0.6761723104626474 Hartree.\n",
      "MP2 energy of -0.863074762873896 Hartree.\n",
      "FCI energy of -0.9343489877473077 Hartree.\n",
      "Nuclear repulsion energy between protons is 0.19242807669818182 Hartree.\n",
      "Spatial orbital 0 has energy of -0.1954124543278043 Hartree.\n",
      "Spatial orbital 1 has energy of 0.03171200588285147 Hartree.\n",
      "\n",
      "At bond length of 2.825 angstrom, molecular hydrogen has:\n",
      "Hartree-Fock energy of -0.6695123786141586 Hartree.\n",
      "MP2 energy of -0.8677843610573939 Hartree.\n",
      "FCI energy of -0.9340643923493084 Hartree.\n",
      "Nuclear repulsion energy between protons is 0.18731936669734514 Hartree.\n",
      "Spatial orbital 0 has energy of -0.19055389238090079 Hartree.\n",
      "Spatial orbital 1 has energy of 0.027207464394279644 Hartree.\n",
      "\n",
      "At bond length of 2.9 angstrom, molecular hydrogen has:\n",
      "Hartree-Fock energy of -0.6634047415990398 Hartree.\n",
      "MP2 energy of -0.8732106178680202 Hartree.\n",
      "FCI energy of -0.9338457507791562 Hartree.\n",
      "Nuclear repulsion energy between protons is 0.1824749003172414 Hartree.\n",
      "Spatial orbital 0 has energy of -0.1860457459326097 Hartree.\n",
      "Spatial orbital 1 has energy of 0.023072305548767352 Hartree.\n",
      "\n",
      "At bond length of 2.975 angstrom, molecular hydrogen has:\n",
      "Hartree-Fock energy of -0.6578075113036511 Hartree.\n",
      "MP2 energy of -0.8792795361303933 Hartree.\n",
      "FCI energy of -0.9336783385776661 Hartree.\n",
      "Nuclear repulsion energy between protons is 0.1778746927462185 Hartree.\n",
      "Spatial orbital 0 has energy of -0.18186434985983013 Hartree.\n",
      "Spatial orbital 1 has energy of 0.01927032735081361 Hartree.\n",
      "\n",
      "At bond length of 3.0500000000000003 angstrom, molecular hydrogen has:\n",
      "Hartree-Fock energy of -0.6526808667256654 Hartree.\n",
      "MP2 energy of -0.8859198981644987 Hartree.\n",
      "FCI energy of -0.9335506049476079 Hartree.\n",
      "Nuclear repulsion energy between protons is 0.1735007248918033 Hartree.\n",
      "Spatial orbital 0 has energy of -0.1779870665965449 Hartree.\n",
      "Spatial orbital 1 has energy of 0.015769050013449082 Hartree.\n",
      "\n",
      "At bond length of 3.125 angstrom, molecular hydrogen has:\n",
      "Hartree-Fock energy of -0.6479869722718786 Hartree.\n",
      "MP2 energy of -0.8930638450783953 Hartree.\n",
      "FCI energy of -0.9334535061756323 Hartree.\n",
      "Nuclear repulsion energy between protons is 0.16933670749440002 Hartree.\n",
      "Spatial orbital 0 has energy of -0.1743922040730168 Hartree.\n",
      "Spatial orbital 1 has energy of 0.012539257682532279 Hartree.\n",
      "\n",
      "At bond length of 3.2 angstrom, molecular hydrogen has:\n",
      "Hartree-Fock energy of -0.643689931022628 Hartree.\n",
      "MP2 energy of -0.9006474392135533 Hartree.\n",
      "FCI energy of -0.9333799773488841 Hartree.\n",
      "Nuclear repulsion energy between protons is 0.1653678784125 Hartree.\n",
      "Spatial orbital 0 has energy of -0.17105897546185678 Hartree.\n",
      "Spatial orbital 1 has energy of 0.00955461527119033 Hartree.\n"
     ]
    },
    {
     "data": {
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\n",
      "text/plain": [
       "<Figure size 432x288 with 1 Axes>"
      ]
     },
     "metadata": {
      "needs_background": "light"
     },
     "output_type": "display_data"
    }
   ],
   "source": [
    "from openfermion.chem import MolecularData\n",
    "from openfermionpyscf import run_pyscf\n",
    "\n",
    "# Set molecule parameters.\n",
    "basis = 'sto-3g'\n",
    "multiplicity = 1\n",
    "n_points = 40\n",
    "bond_length_interval = 3.0 / n_points\n",
    "\n",
    "# Set calculation parameters.\n",
    "run_scf = 1\n",
    "run_mp2 = 1\n",
    "run_cisd = 0\n",
    "run_ccsd = 0\n",
    "run_fci = 1\n",
    "delete_input = True\n",
    "delete_output = True\n",
    "\n",
    "# Generate molecule at different bond lengths.\n",
    "hf_energies = []\n",
    "fci_energies = []\n",
    "bond_lengths = []\n",
    "for point in range(1, n_points + 1):\n",
    "    bond_length = bond_length_interval * float(point) + 0.2\n",
    "    bond_lengths += [bond_length]\n",
    "    geometry = [('H', (0., 0., 0.)), ('H', (0., 0., bond_length))]\n",
    "    molecule = MolecularData(\n",
    "        geometry, basis, multiplicity,\n",
    "        description=str(round(bond_length, 2)))\n",
    "    \n",
    "    # Run pyscf.\n",
    "    molecule = run_pyscf(molecule,\n",
    "                         run_scf=run_scf,\n",
    "                         run_mp2=run_mp2,\n",
    "                         run_cisd=run_cisd,\n",
    "                         run_ccsd=run_ccsd,\n",
    "                         run_fci=run_fci)\n",
    "\n",
    "    # Print out some results of calculation.\n",
    "    print('\\nAt bond length of {} angstrom, molecular hydrogen has:'.format(\n",
    "        bond_length))\n",
    "    print('Hartree-Fock energy of {} Hartree.'.format(molecule.hf_energy))\n",
    "    print('MP2 energy of {} Hartree.'.format(molecule.mp2_energy))\n",
    "    print('FCI energy of {} Hartree.'.format(molecule.fci_energy))\n",
    "    print('Nuclear repulsion energy between protons is {} Hartree.'.format(\n",
    "        molecule.nuclear_repulsion))\n",
    "    for orbital in range(molecule.n_orbitals):\n",
    "        print('Spatial orbital {} has energy of {} Hartree.'.format(\n",
    "            orbital, molecule.orbital_energies[orbital]))\n",
    "    hf_energies += [molecule.hf_energy]\n",
    "    fci_energies += [molecule.fci_energy]\n",
    "\n",
    "# Plot.\n",
    "import matplotlib.pyplot as plt\n",
    "%matplotlib inline\n",
    "\n",
    "plt.figure(0)\n",
    "plt.plot(bond_lengths, fci_energies, 'x-')\n",
    "plt.plot(bond_lengths, hf_energies, 'o-')\n",
    "plt.ylabel('Energy in Hartree')\n",
    "plt.xlabel('Bond length in angstrom')\n",
    "plt.show()"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": null,
   "metadata": {},
   "outputs": [],
   "source": []
  }
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