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@kevinsung
kevinsung committed Aug 30, 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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56 changes: 28 additions & 28 deletions dev/.doctrees/nbsphinx/how-to-guides/entanglement-forging.ipynb
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"converged SCF energy = -75.6787887956297\n"
"converged SCF energy = -75.6787887956296\n"
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"Parsing /tmp/tmpykslarcq\n",
"converged SCF energy = -75.6787887956314\n"
"Parsing /tmp/tmpbilnbk8l\n",
"converged SCF energy = -75.6787887956313\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: -75.67794403659727\n"
"Energy at initialialization: -75.67794403659722\n"
]
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" message: STOP: TOTAL NO. of f AND g EVALUATIONS EXCEEDS LIMIT\n",
" success: False\n",
" status: 1\n",
" fun: -75.68381565876129\n",
" x: [-1.603e-01 6.425e-03 ... 5.747e-02 -1.005e-01]\n",
" fun: -75.68381563727\n",
" x: [-1.603e-01 6.418e-03 ... 5.747e-02 -1.005e-01]\n",
" nit: 3\n",
" jac: [ 2.188e-04 1.066e-04 ... -4.749e-03 7.422e-03]\n",
" jac: [ 2.132e-04 1.108e-04 ... -4.738e-03 7.385e-03]\n",
" nfev: 112\n",
" njev: 7\n",
" hess_inv: <15x15 LbfgsInvHessProduct with dtype=float64>\n"
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