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Remove declarative api from chemistry
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-37
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+49
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chemistry/h2_excited_states.ipynb

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@@ -26,22 +26,7 @@
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"text": [
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"Couldn't find cython int routine\n",
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"Couldn't find cython int routine\n",
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"Processing step __\b\b 0"
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]
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},
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{
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"name": "stderr",
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"output_type": "stream",
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"text": [
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"/Users/manoel/anaconda3/envs/Qiskitenv/lib/python3.7/site-packages/pyscf/scf/chkfile.py:31: H5pyDeprecationWarning: The default file mode will change to 'r' (read-only) in h5py 3.0. To suppress this warning, pass the mode you need to h5py.File(), or set the global default h5.get_config().default_file_mode, or set the environment variable H5PY_DEFAULT_READONLY=1. Available modes are: 'r', 'r+', 'w', 'w-'/'x', 'a'. See the docs for details.\n",
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" with h5py.File(chkfile) as fh5:\n"
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]
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},
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{
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"name": "stdout",
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"output_type": "stream",
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"text": [
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"20 --- complete\n",
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"Processing step 20 --- complete\n",
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"Distances: [0.5 0.525 0.55 0.575 0.6 0.625 0.65 0.675 0.7 0.725 0.75 0.775\n",
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" 0.8 0.825 0.85 0.875 0.9 0.925 0.95 0.975 1. ]\n",
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"Energies: [[-1.05515979 -1.07591366 -1.09262991 -1.10591805 -1.11628601 -1.12416092\n",

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