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add information on changing checkpoints (#39)
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Co-authored-by: Han Yang <hanyang@microsoft.com>
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yanghan234 and yanghan-microsoft authored Dec 3, 2024
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Expand Up @@ -86,6 +86,13 @@ print(f"Stress[0][0] (eV/A^3) = {si.get_stress(voigt=False)[0][0]}")
print(f"Stress[0][0] (GPa) = {si.get_stress(voigt=False)[0][0] / GPa}")
```

In this release, we provide two checkpoints: `MatterSim-v1.0.0-1M.pth` and `MatterSim-v1.0.0-5M.pth`. By default, the `1M` version is loaded.
To switch to the `5M` version, manually set the `load_path` of `MatterSimCalculator` as shown below:

```python
MatterSimCalculator(load_path="MatterSim-v1.0.0-5M.pth", device=device)
```


## Reference
We kindly request that users of MatterSim version 1.0.0 cite our preprint available on arXiv:
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