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adding colab setup to notebooks
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hatemhelal committed Apr 30, 2024
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23 changes: 22 additions & 1 deletion docs/batching.ipynb
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"the batch we build a `Hamiltonian` for each bond length and stack the built modules to \n",
"create a batched-Hamiltonian. This example uses the `sto-3g` basis set and the simple\n",
"local density approximation of density functional theory but the this formulation isn't\n",
"unique to these choices for how the Hamiltonian is represented."
"unique to these choices for how the Hamiltonian is represented.\n",
"\n",
":::{note}\n",
"The following code cell will install MESS into the Google Colab runtime.\n",
"Select the 🚀 in the toolbar above to try this out!\n",
":::"
]
},
{
"cell_type": "code",
"execution_count": null,
"metadata": {
"tags": [
"hide-cell"
]
},
"outputs": [],
"source": [
"import sys\n",
"\n",
"if 'google.colab' in sys.modules:\n",
" !pip install git+https://github.com/graphcore-research/mess.git\n"
]
},
{
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303 changes: 280 additions & 23 deletions docs/optim.ipynb

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2 changes: 1 addition & 1 deletion docs/tour.ipynb
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Expand Up @@ -30,7 +30,7 @@
"object will display a 3D visualisation\n",
"\n",
":::{note}\n",
"The following code cell will install mess into the Google Colab runtime.\n",
"The following code cell will install MESS into the Google Colab runtime.\n",
"Select the 🚀 in the toolbar above to try this out!\n",
":::"
]
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