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kevinsung committed Apr 23, 2024
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50 changes: 25 additions & 25 deletions .doctrees/nbsphinx/explanations/state-vectors-and-gates.ipynb
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"source": [
"## Gates\n",
"\n",
"In ffsim, you apply a unitary gate to a state vector by calling a function whose name begins with `apply_`. For example, the function for applying an orbital rotation is called `apply_orbital_rotation`. The first argument to the function is always the state vector itself. The number of orbitals, as well as the number of alpha and beta electrons, are passed as the arguments `norb` and `nelec`.\n",
"In ffsim, you apply a unitary gate to a state vector by calling a function whose name begins with `apply_`. For example, the function for applying an orbital rotation is called [`apply_orbital_rotation`](../api/ffsim.rst#ffsim.apply_orbital_rotation). The first argument to the function is always the state vector itself. The number of orbitals, as well as the number of alpha and beta electrons, are passed as the arguments `norb` and `nelec`.\n",
"\n",
"The following code cell generates a random orbital rotation (represented by an $N \\times N$ unitary matrix) and applies it to the Hartree-Fock state vector we created previously."
]
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30 changes: 15 additions & 15 deletions .doctrees/nbsphinx/how-to-guides/entanglement-forging.ipynb
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"Energy at initialialization: -74.20656273321636\n"
"Energy at initialialization: -74.20656273321637\n"
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" message: STOP: TOTAL NO. of f AND g EVALUATIONS EXCEEDS LIMIT\n",
" success: False\n",
" status: 1\n",
" fun: -75.68085161427761\n",
" fun: -75.6808515638906\n",
" x: [ 2.996e+00 -7.549e-01 ... 2.650e+00 8.012e-01]\n",
" nit: 6\n",
" jac: [ 1.764e-03 9.119e-03 ... -1.192e-02 9.393e-04]\n",
" jac: [ 1.759e-03 9.118e-03 ... -1.192e-02 9.535e-04]\n",
" nfev: 112\n",
" njev: 7\n",
" hess_inv: <15x15 LbfgsInvHessProduct with dtype=float64>\n"
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