diff --git a/README.md b/README.md index 948ec90..507f233 100644 --- a/README.md +++ b/README.md @@ -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: