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@kevinsung
kevinsung committed Oct 28, 2023
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24 changes: 12 additions & 12 deletions .doctrees/nbsphinx/tutorials/01-introduction.ipynb
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32 changes: 16 additions & 16 deletions .doctrees/nbsphinx/tutorials/02-orbital-rotation.ipynb
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80 changes: 40 additions & 40 deletions .doctrees/nbsphinx/tutorials/03-double-factorized.ipynb
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54 changes: 27 additions & 27 deletions .doctrees/nbsphinx/tutorials/04-lucj.ipynb
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"E(CCSD) = -77.49387212754473 E_corr = -0.04824536314851498\n"
"E(CCSD) = -77.49387212754476 E_corr = -0.04824536314851395\n"
]
},
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"name": "stdout",
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"text": [
"Energy at initialialization: -77.46975600021668\n"
"Energy at initialialization: -77.4697560002169\n"
]
}
],
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" message: STOP: TOTAL NO. of f AND g EVALUATIONS EXCEEDS LIMIT\n",
" success: False\n",
" status: 1\n",
" fun: -77.51587273457146\n",
" x: [-1.415e-01 1.958e-01 ... 4.256e-01 2.907e-01]\n",
" fun: -77.51494874300114\n",
" x: [-1.555e-01 1.932e-01 ... -6.056e-01 1.968e-01]\n",
" nit: 9\n",
" jac: [ 5.852e-03 -7.597e-03 ... 3.297e-03 -4.880e-03]\n",
" nfev: 1314\n",
" njev: 18\n",
" jac: [-6.976e-03 -2.986e-03 ... -8.328e-03 2.274e-03]\n",
" nfev: 1095\n",
" njev: 15\n",
" hess_inv: <72x72 LbfgsInvHessProduct with dtype=float64>\n"
]
}
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"outputs": [
Expand All @@ -261,10 +261,10 @@
" message: STOP: TOTAL NO. of f AND g EVALUATIONS EXCEEDS LIMIT\n",
" success: False\n",
" status: 1\n",
" fun: -77.45803733775867\n",
" x: [-3.763e-01 8.442e-02 ... 5.733e-01 3.056e-01]\n",
" nit: 13\n",
" jac: [ 4.310e-03 -5.713e-04 ... 1.236e-04 -1.080e-04]\n",
" fun: -77.45981953688877\n",
" x: [-3.348e-01 7.867e-02 ... -5.151e-01 2.150e-01]\n",
" nit: 14\n",
" jac: [ 9.408e-04 8.114e-04 ... -3.837e-04 -1.720e-04]\n",
" nfev: 1034\n",
" njev: 22\n",
" hess_inv: <46x46 LbfgsInvHessProduct with dtype=float64>\n"
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