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fix: Potential load method #64

Merged
merged 1 commit into from
Dec 16, 2024
Merged

fix: Potential load method #64

merged 1 commit into from
Dec 16, 2024

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ZeroKnighting
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This pull request includes changes to improve the loading mechanism of the Potential class and update the user guide accordingly. The most important changes include modifying the Potential class to download checkpoints if they are not found locally and updating the user guide to reflect this change.

Improvements to loading mechanism:

  • src/mattersim/forcefield/potential.py: Modified the load method in the Potential class to download the checkpoint from the server if it is not found locally, and updated the checkpoint folder path to use a user-specific directory.

Documentation updates:

@yanghan234 yanghan234 merged commit afe58a0 into main Dec 16, 2024
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@yanghan234 yanghan234 deleted the xixian/fix_Potential_load branch December 16, 2024 15:24
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2 participants