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update notebook
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kevinsung committed Oct 19, 2023
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4 changes: 3 additions & 1 deletion docs/tutorials/04-lucj.ipynb
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"outputs": [],
"source": [
"import pyscf\n",
"import pyscf.mcscf\n",
"import ffsim\n",
"\n",
"# Build a stretched ethene molecule\n",
"a = 1.339\n",
"bond_distance = 2.678\n",
"a = 0.5 * bond_distance\n",
"b = a + 0.5626\n",
"c = 0.9289\n",
"mol = pyscf.gto.Mole()\n",
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