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fix typo
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njzjz committed Feb 15, 2022
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2 changes: 1 addition & 1 deletion doc/model/sel.md
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Expand Up @@ -8,6 +8,6 @@ To determine a proper `sel`, one can calculate the neighbor stat of the training
```sh
dp neighbor-stat -s data -r 6.0 -t O H
```
where `data` is the directory of data, `6.0` is the cutoff radius, and `O` and `H` is the type map.The program will give the `max_nbor_size`. For example, `max_nbor_size` of the water example is `[38, 72]`, meaning an atom may have 38 O neighbors and 72 H neighbors in the training data.
where `data` is the directory of data, `6.0` is the cutoff radius, and `O` and `H` is the type map. The program will give the `max_nbor_size`. For example, `max_nbor_size` of the water example is `[38, 72]`, meaning an atom may have 38 O neighbors and 72 H neighbors in the training data.

The `sel` should be set to a higher value than that of the training data, considering there may be some extreme geometries during MD simulations. As a result, we set to `[46, 92]` in the water example.

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