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document the BSE interface
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README.rst

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@@ -224,6 +224,25 @@ As an example let us generate a grid for the water molecule:
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x, y, z, w = numgrid.get_angular_grid(num_angular_grid_points=14)
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Avoiding explicit exponent ranges
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---------------------------------
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Using the Python interface you can choose to not provide
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explicit exponent ranges and instead specify the basis
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set which is then fetched directly from
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https://github.com/MolSSI-BSE/basis_set_exchange
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using the wonderful
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`MolSSI BSE <https://molssi-bse.github.io/basis_set_exchange/>`__:
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.. code:: python
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context = numgrid.new_atom_grid_bse(radial_precision=1.0e-12,
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min_num_angular_points=86,
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max_num_angular_points=302,
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proton_charge=8,
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basis_set='cc-pVDZ')
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Saving grid in Numpy format
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---------------------------
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