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Chore: Update doc for PyTorch Energy Fitting #3362

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merged 14 commits into from
Feb 29, 2024
4 changes: 4 additions & 0 deletions doc/backend.md
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Expand Up @@ -51,3 +51,7 @@ For example, when the model filename ends with `.pb` (the ProtoBuf file), DeePMD
## Convert model files between backends

If a model is supported by two backends, one can use [`dp convert-backend`](./cli.rst) to convert the model file between these two backends.

:::{warning}
Currently, only the `se_e2_a` model fully supports the backend conversion between TensorFlow {{ tensorflow_icon }} and PyTorch {{ pytorch_icon }}.
:::
8 changes: 6 additions & 2 deletions doc/freeze/freeze.md
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The trained neural network is extracted from a checkpoint and dumped into a protobuf(.pb) file. This process is called "freezing" a model. The idea and part of our code are from [Morgan](https://blog.metaflow.fr/tensorflow-how-to-freeze-a-model-and-serve-it-with-a-python-api-d4f3596b3adc). To freeze a model, typically one does
```bash
$ dp freeze -o graph.pb
$ dp freeze -o model.pb
```
in the folder where the model is trained. The output model is called `graph.pb`.
or
```bash
$ dp --pt freeze -o model.pth
```
in the folder where the model is trained. The output model is called `model.pb` or `model.pth`.
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In [multi-task mode](../train/multi-task-training.md):
- This process will in default output several models, each of which contains the common descriptor and
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4 changes: 4 additions & 0 deletions doc/model/pairtab.md
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Expand Up @@ -53,6 +53,10 @@ in the order of Type_0-Type_0, Type_0-Type_1, ..., Type_0-Type_N, Type_1-Type_1,

The interaction should be smooth at the cut-off distance.

:::{note}
In instances where the interaction at the cut-off distance is not delineated within the table file, extrapolation will be conducted utilizing the available interaction data. This extrapolative procedure guarantees a smooth transition from the table-provided value to `0` whenever feasible.
:::

## Interpolation with a short-range pairwise potential

```json
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