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kevinsung committed Jul 26, 2024
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60 changes: 30 additions & 30 deletions dev/.doctrees/nbsphinx/explanations/hamiltonians.ipynb
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"/tmp/ipykernel_4307/2190712273.py:2: UserWarning: Trace of LinearOperator not available, it will be estimated. Provide `traceA` to ensure performance.\n",
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8 changes: 4 additions & 4 deletions dev/.doctrees/nbsphinx/explanations/orbital-rotation.ipynb
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52 changes: 26 additions & 26 deletions dev/.doctrees/nbsphinx/how-to-guides/entanglement-forging.ipynb
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"name": "stdout",
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"text": [
"Parsing /tmp/tmpfegb262g\n",
"Parsing /tmp/tmpjfp2fs73\n",
"converged SCF energy = -75.6787887956314\n"
]
},
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"Overwritten attributes get_ovlp get_hcore of <class 'pyscf.scf.hf.RHF'>\n",
"Overwritten attributes get_hcore get_ovlp of <class 'pyscf.scf.hf.RHF'>\n",
"/home/runner/work/ffsim/ffsim/.tox/docs/lib/python3.12/site-packages/pyscf/gto/mole.py:1284: UserWarning: Function mol.dumps drops attribute energy_nuc because it is not JSON-serializable\n",
" warnings.warn(msg)\n"
]
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"text": [
"Energy at initialialization: -75.67794403659725\n"
"Energy at initialialization: -75.67794403659724\n"
]
}
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" message: STOP: TOTAL NO. of f AND g EVALUATIONS EXCEEDS LIMIT\n",
" success: False\n",
" status: 1\n",
" fun: -75.68381564670884\n",
" x: [-1.603e-01 6.418e-03 ... 5.747e-02 -1.005e-01]\n",
" fun: -75.68381571652795\n",
" x: [-1.603e-01 6.421e-03 ... 5.747e-02 -1.005e-01]\n",
" nit: 3\n",
" jac: [ 2.203e-04 9.948e-05 ... -4.748e-03 7.398e-03]\n",
" jac: [ 2.117e-04 1.094e-04 ... -4.741e-03 7.394e-03]\n",
" nfev: 112\n",
" njev: 7\n",
" hess_inv: <15x15 LbfgsInvHessProduct with dtype=float64>\n"
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